data_11178 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of human olygophrein-1 like protein (KIAA0621) ; _BMRB_accession_number 11178 _BMRB_flat_file_name bmr11178.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Hayashi F. . . 3 Shirouzu M. . . 4 Terada T. . . 5 Kigawa T. . . 6 Inoue M. . . 7 Yabuki T. . . 8 Aoki M. . . 9 Seki E. . . 10 Matsuda T. . . 11 Hirota H. . . 12 Yoshida M. . . 13 Tanaka A. . . 14 Osanai T. . . 15 Matsuo Y. . . 16 Ohara O. . . 17 Nagase T. . . 18 Kikuno R. . . 19 Nakayama M. . . 20 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" 372 "13C chemical shifts" 280 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the SH3 domain of human olygophrein-1 like protein (KIAA0621) ; _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 Inoue K. . . 2 Hayashi F. . . 3 Shirouzu M. . . 4 Terada T. . . 5 Kigawa T. . . 6 Inoue M. . . 7 Yabuki T. . . 8 Aoki M. . . 9 Seki E. . . 10 Matsuda T. . . 11 Hirota H. . . 12 Yoshida M. . . 13 Tanaka A. . . 14 Osanai T. . . 15 Matsuo Y. . . 16 Ohara O. . . 17 Nagase T. . . 18 Kikuno R. . . 19 Nakayama M. . . 20 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 'Olygophrenin-1 like protein' _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 72 _Mol_residue_sequence ; GSSGSSGTPFRKAKALYACK AEHDSELSFTAGTVFDNVHP SQEPGWLEGTLNGKTGLIPE NYVEFLSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 PRO 10 PHE 11 ARG 12 LYS 13 ALA 14 LYS 15 ALA 16 LEU 17 TYR 18 ALA 19 CYS 20 LYS 21 ALA 22 GLU 23 HIS 24 ASP 25 SER 26 GLU 27 LEU 28 SER 29 PHE 30 THR 31 ALA 32 GLY 33 THR 34 VAL 35 PHE 36 ASP 37 ASN 38 VAL 39 HIS 40 PRO 41 SER 42 GLN 43 GLU 44 PRO 45 GLY 46 TRP 47 LEU 48 GLU 49 GLY 50 THR 51 LEU 52 ASN 53 GLY 54 LYS 55 THR 56 GLY 57 LEU 58 ILE 59 PRO 60 GLU 61 ASN 62 TYR 63 VAL 64 GLU 65 PHE 66 LEU 67 SER 68 GLY 69 PRO 70 SER 71 SER 72 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-20 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 1UGV "Solution Structure Of The Sh3 Domain Of Human Olygophrein-1 Like Protein (Kiaa0621)" 100.00 72 100.00 100.00 7.73e-44 DBJ BAA31596 "KIAA0621 protein [Homo sapiens]" 84.72 753 98.36 98.36 6.08e-33 DBJ BAG60864 "unnamed protein product [Homo sapiens]" 79.17 186 100.00 100.00 8.27e-34 EMBL CAA71414 "Graf protein [Homo sapiens]" 79.17 759 100.00 100.00 5.57e-32 GB AAD39482 "oligophrenin-1 like protein [Homo sapiens]" 84.72 814 98.36 98.36 1.90e-33 GB AAH68555 "ARHGAP26 protein [Homo sapiens]" 79.17 759 100.00 100.00 4.71e-32 GB AIC56005 "ARHGAP26, partial [synthetic construct]" 79.17 759 100.00 100.00 4.71e-32 GB EAW61876 "Rho GTPase activating protein 26, isoform CRA_a [Homo sapiens]" 79.17 759 100.00 100.00 4.71e-32 GB EAW61877 "Rho GTPase activating protein 26, isoform CRA_b [Homo sapiens]" 84.72 814 98.36 98.36 1.90e-33 REF NP_001129080 "rho GTPase-activating protein 26 isoform b [Homo sapiens]" 79.17 759 100.00 100.00 4.71e-32 REF NP_001192451 "rho GTPase-activating protein 26 [Bos taurus]" 84.72 815 98.36 98.36 1.80e-33 REF NP_055886 "rho GTPase-activating protein 26 isoform a [Homo sapiens]" 84.72 814 98.36 98.36 1.90e-33 REF XP_001096464 "PREDICTED: rho GTPase-activating protein 26 isoform 1 [Macaca mulatta]" 79.17 759 100.00 100.00 5.57e-32 REF XP_001154393 "PREDICTED: rho GTPase-activating protein 26 isoform X3 [Pan troglodytes]" 84.72 814 98.36 98.36 1.98e-33 SP Q9UNA1 "RecName: Full=Rho GTPase-activating protein 26; AltName: Full=GTPase regulator associated with focal adhesion kinase; AltName: " 84.72 814 98.36 98.36 1.90e-33 TPG DAA27326 "TPA: Rho GTPase activating protein 26 [Bos taurus]" 84.72 433 98.36 98.36 1.54e-34 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 P021021-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.2mM SH3 domain {U-15N,13C;} 20mM Tris buffer {NA;} 100mM {NaCl;} 1mM {d10-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-13C; U-15N]' Tris 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d10-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.816 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 298 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 $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ 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 '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 7 7 GLY HA2 H 3.967 0.030 1 2 7 7 GLY HA3 H 3.967 0.030 1 3 7 7 GLY CA C 45.216 0.300 1 4 8 8 THR H H 8.040 0.030 1 5 8 8 THR HA H 4.558 0.030 1 6 8 8 THR HB H 4.056 0.030 1 7 8 8 THR HG2 H 1.163 0.030 1 8 8 8 THR C C 172.869 0.300 1 9 8 8 THR CA C 59.644 0.300 1 10 8 8 THR CB C 69.872 0.300 1 11 8 8 THR CG2 C 21.343 0.300 1 12 8 8 THR N N 116.379 0.300 1 13 9 9 PRO HA H 4.359 0.030 1 14 9 9 PRO HB2 H 1.704 0.030 2 15 9 9 PRO HB3 H 2.137 0.030 2 16 9 9 PRO HD2 H 3.594 0.030 2 17 9 9 PRO HD3 H 3.741 0.030 2 18 9 9 PRO HG2 H 1.793 0.030 2 19 9 9 PRO HG3 H 1.888 0.030 2 20 9 9 PRO CA C 63.097 0.300 1 21 9 9 PRO CB C 31.979 0.300 1 22 9 9 PRO CD C 50.942 0.300 1 23 9 9 PRO CG C 27.113 0.300 1 24 10 10 PHE H H 8.157 0.030 1 25 10 10 PHE HA H 4.826 0.030 1 26 10 10 PHE HB2 H 3.057 0.030 2 27 10 10 PHE HB3 H 3.202 0.030 2 28 10 10 PHE HD1 H 7.173 0.030 1 29 10 10 PHE HD2 H 7.173 0.030 1 30 10 10 PHE HE1 H 7.170 0.030 1 31 10 10 PHE HE2 H 7.170 0.030 1 32 10 10 PHE HZ H 7.170 0.030 1 33 10 10 PHE C C 175.799 0.300 1 34 10 10 PHE CA C 56.662 0.300 1 35 10 10 PHE CB C 39.552 0.300 1 36 10 10 PHE CD1 C 130.840 0.300 1 37 10 10 PHE CD2 C 130.840 0.300 1 38 10 10 PHE CE1 C 131.481 0.300 1 39 10 10 PHE CE2 C 131.481 0.300 1 40 10 10 PHE CZ C 129.692 0.300 1 41 10 10 PHE N N 119.778 0.300 1 42 11 11 ARG H H 8.584 0.030 1 43 11 11 ARG HA H 4.728 0.030 1 44 11 11 ARG HB2 H 1.895 0.030 2 45 11 11 ARG HB3 H 2.290 0.030 2 46 11 11 ARG HD2 H 3.029 0.030 1 47 11 11 ARG HD3 H 3.029 0.030 1 48 11 11 ARG HG2 H 1.726 0.030 1 49 11 11 ARG HG3 H 1.726 0.030 1 50 11 11 ARG C C 175.085 0.300 1 51 11 11 ARG CA C 55.929 0.300 1 52 11 11 ARG CB C 33.792 0.300 1 53 11 11 ARG CD C 43.788 0.300 1 54 11 11 ARG CG C 27.133 0.300 1 55 11 11 ARG N N 121.545 0.300 1 56 12 12 LYS H H 8.495 0.030 1 57 12 12 LYS HA H 5.210 0.030 1 58 12 12 LYS HB2 H 1.763 0.030 2 59 12 12 LYS HB3 H 1.834 0.030 2 60 12 12 LYS HD2 H 1.676 0.030 1 61 12 12 LYS HD3 H 1.676 0.030 1 62 12 12 LYS HE2 H 2.981 0.030 1 63 12 12 LYS HE3 H 2.981 0.030 1 64 12 12 LYS HG2 H 1.654 0.030 2 65 12 12 LYS HG3 H 1.706 0.030 2 66 12 12 LYS C C 176.300 0.300 1 67 12 12 LYS CA C 55.606 0.300 1 68 12 12 LYS CB C 36.105 0.300 1 69 12 12 LYS CD C 29.635 0.300 1 70 12 12 LYS CE C 42.378 0.300 1 71 12 12 LYS CG C 26.260 0.300 1 72 12 12 LYS N N 119.293 0.300 1 73 13 13 ALA H H 8.160 0.030 1 74 13 13 ALA HA H 5.040 0.030 1 75 13 13 ALA HB H 0.817 0.030 1 76 13 13 ALA C C 173.541 0.300 1 77 13 13 ALA CA C 50.752 0.300 1 78 13 13 ALA CB C 23.236 0.300 1 79 13 13 ALA N N 120.118 0.300 1 80 14 14 LYS H H 9.038 0.030 1 81 14 14 LYS HA H 5.396 0.030 1 82 14 14 LYS HB2 H 1.446 0.030 2 83 14 14 LYS HB3 H 1.670 0.030 2 84 14 14 LYS HD2 H 1.578 0.030 1 85 14 14 LYS HD3 H 1.578 0.030 1 86 14 14 LYS HE2 H 2.781 0.030 2 87 14 14 LYS HE3 H 2.827 0.030 2 88 14 14 LYS HG2 H 1.131 0.030 2 89 14 14 LYS HG3 H 1.192 0.030 2 90 14 14 LYS C C 175.699 0.300 1 91 14 14 LYS CA C 53.495 0.300 1 92 14 14 LYS CB C 36.833 0.300 1 93 14 14 LYS CD C 29.618 0.300 1 94 14 14 LYS CE C 41.799 0.300 1 95 14 14 LYS CG C 24.262 0.300 1 96 14 14 LYS N N 120.276 0.300 1 97 15 15 ALA H H 9.200 0.030 1 98 15 15 ALA HA H 4.720 0.030 1 99 15 15 ALA HB H 1.765 0.030 1 100 15 15 ALA C C 179.172 0.300 1 101 15 15 ALA CA C 52.105 0.300 1 102 15 15 ALA CB C 21.141 0.300 1 103 15 15 ALA N N 125.891 0.300 1 104 16 16 LEU H H 9.455 0.030 1 105 16 16 LEU HA H 3.967 0.030 1 106 16 16 LEU HB2 H 0.552 0.030 2 107 16 16 LEU HB3 H 0.759 0.030 2 108 16 16 LEU HD1 H 0.634 0.030 1 109 16 16 LEU HD2 H 0.644 0.030 1 110 16 16 LEU HG H 1.246 0.030 1 111 16 16 LEU C C 175.528 0.300 1 112 16 16 LEU CA C 55.591 0.300 1 113 16 16 LEU CB C 42.989 0.300 1 114 16 16 LEU CD1 C 25.252 0.300 2 115 16 16 LEU CD2 C 22.087 0.300 2 116 16 16 LEU CG C 27.052 0.300 1 117 16 16 LEU N N 126.077 0.300 1 118 17 17 TYR H H 6.942 0.030 1 119 17 17 TYR HA H 4.842 0.030 1 120 17 17 TYR HB2 H 2.153 0.030 2 121 17 17 TYR HB3 H 3.205 0.030 2 122 17 17 TYR HD1 H 6.535 0.030 1 123 17 17 TYR HD2 H 6.535 0.030 1 124 17 17 TYR HE1 H 6.670 0.030 1 125 17 17 TYR HE2 H 6.670 0.030 1 126 17 17 TYR C C 173.370 0.300 1 127 17 17 TYR CA C 53.748 0.300 1 128 17 17 TYR CB C 42.376 0.300 1 129 17 17 TYR CD1 C 133.485 0.300 1 130 17 17 TYR CD2 C 133.485 0.300 1 131 17 17 TYR CE1 C 117.548 0.300 1 132 17 17 TYR CE2 C 117.548 0.300 1 133 17 17 TYR N N 112.952 0.300 1 134 18 18 ALA H H 8.310 0.030 1 135 18 18 ALA HA H 4.402 0.030 1 136 18 18 ALA HB H 1.515 0.030 1 137 18 18 ALA C C 176.785 0.300 1 138 18 18 ALA CA C 51.467 0.300 1 139 18 18 ALA CB C 20.035 0.300 1 140 18 18 ALA N N 119.758 0.300 1 141 19 19 CYS H H 8.277 0.030 1 142 19 19 CYS HA H 4.370 0.030 1 143 19 19 CYS HB2 H 1.094 0.030 2 144 19 19 CYS HB3 H 1.980 0.030 2 145 19 19 CYS C C 173.141 0.300 1 146 19 19 CYS CA C 58.461 0.300 1 147 19 19 CYS CB C 30.498 0.300 1 148 19 19 CYS N N 119.184 0.300 1 149 20 20 LYS H H 8.638 0.030 1 150 20 20 LYS HA H 4.485 0.030 1 151 20 20 LYS HB2 H 1.602 0.030 2 152 20 20 LYS HB3 H 1.766 0.030 2 153 20 20 LYS HD2 H 1.633 0.030 2 154 20 20 LYS HD3 H 1.675 0.030 2 155 20 20 LYS HE2 H 2.961 0.030 1 156 20 20 LYS HE3 H 2.961 0.030 1 157 20 20 LYS HG2 H 1.274 0.030 2 158 20 20 LYS HG3 H 1.368 0.030 2 159 20 20 LYS C C 174.770 0.300 1 160 20 20 LYS CA C 54.683 0.300 1 161 20 20 LYS CB C 32.902 0.300 1 162 20 20 LYS CD C 29.094 0.300 1 163 20 20 LYS CE C 42.145 0.300 1 164 20 20 LYS CG C 24.531 0.300 1 165 20 20 LYS N N 132.019 0.300 1 166 21 21 ALA H H 8.496 0.030 1 167 21 21 ALA HA H 4.213 0.030 1 168 21 21 ALA HB H 1.328 0.030 1 169 21 21 ALA C C 178.243 0.300 1 170 21 21 ALA CA C 52.812 0.300 1 171 21 21 ALA CB C 21.138 0.300 1 172 21 21 ALA N N 129.764 0.300 1 173 22 22 GLU H H 8.737 0.030 1 174 22 22 GLU HA H 4.246 0.030 1 175 22 22 GLU HB2 H 1.774 0.030 2 176 22 22 GLU HB3 H 1.847 0.030 2 177 22 22 GLU HG2 H 2.035 0.030 2 178 22 22 GLU HG3 H 2.216 0.030 2 179 22 22 GLU C C 175.714 0.300 1 180 22 22 GLU CA C 56.247 0.300 1 181 22 22 GLU CB C 31.117 0.300 1 182 22 22 GLU CG C 36.262 0.300 1 183 22 22 GLU N N 119.751 0.300 1 184 23 23 HIS H H 7.305 0.030 1 185 23 23 HIS HA H 4.807 0.030 1 186 23 23 HIS HB2 H 2.710 0.030 2 187 23 23 HIS HB3 H 3.219 0.030 2 188 23 23 HIS HD2 H 7.248 0.030 1 189 23 23 HIS HE1 H 8.171 0.030 1 190 23 23 HIS C C 175.751 0.300 1 191 23 23 HIS CA C 54.821 0.300 1 192 23 23 HIS CB C 32.458 0.300 1 193 23 23 HIS CD2 C 120.160 0.300 1 194 23 23 HIS CE1 C 136.846 0.300 1 195 23 23 HIS N N 115.580 0.300 1 196 24 24 ASP H H 7.754 0.030 1 197 24 24 ASP HA H 4.405 0.030 1 198 24 24 ASP HB2 H 2.663 0.030 1 199 24 24 ASP HB3 H 2.663 0.030 1 200 24 24 ASP CA C 56.853 0.300 1 201 24 24 ASP CB C 40.685 0.300 1 202 25 25 SER H H 8.086 0.030 1 203 25 25 SER HA H 4.337 0.030 1 204 25 25 SER HB2 H 3.875 0.030 2 205 25 25 SER HB3 H 3.910 0.030 2 206 25 25 SER C C 174.556 0.300 1 207 25 25 SER CA C 58.600 0.300 1 208 25 25 SER CB C 63.096 0.300 1 209 25 25 SER N N 111.431 0.300 1 210 26 26 GLU H H 7.755 0.030 1 211 26 26 GLU HA H 4.621 0.030 1 212 26 26 GLU HB2 H 2.194 0.030 2 213 26 26 GLU HB3 H 2.298 0.030 2 214 26 26 GLU HG2 H 1.952 0.030 1 215 26 26 GLU HG3 H 1.952 0.030 1 216 26 26 GLU C C 175.456 0.300 1 217 26 26 GLU CA C 55.067 0.300 1 218 26 26 GLU CB C 31.747 0.300 1 219 26 26 GLU CG C 35.888 0.300 1 220 26 26 GLU N N 122.452 0.300 1 221 27 27 LEU H H 8.144 0.030 1 222 27 27 LEU HA H 4.661 0.030 1 223 27 27 LEU HB2 H 1.625 0.030 2 224 27 27 LEU HB3 H 1.798 0.030 2 225 27 27 LEU HD1 H 0.902 0.030 1 226 27 27 LEU HD2 H 0.835 0.030 1 227 27 27 LEU HG H 1.400 0.030 1 228 27 27 LEU C C 177.057 0.300 1 229 27 27 LEU CA C 54.609 0.300 1 230 27 27 LEU CB C 43.572 0.300 1 231 27 27 LEU CD1 C 21.939 0.300 2 232 27 27 LEU CD2 C 26.062 0.300 2 233 27 27 LEU CG C 27.409 0.300 1 234 27 27 LEU N N 118.743 0.300 1 235 28 28 SER H H 8.141 0.030 1 236 28 28 SER HA H 4.919 0.030 1 237 28 28 SER HB2 H 3.816 0.030 2 238 28 28 SER HB3 H 4.035 0.030 2 239 28 28 SER C C 174.170 0.300 1 240 28 28 SER CA C 58.048 0.300 1 241 28 28 SER CB C 65.016 0.300 1 242 28 28 SER N N 115.268 0.300 1 243 29 29 PHE H H 8.440 0.030 1 244 29 29 PHE HA H 5.126 0.030 1 245 29 29 PHE HB2 H 3.069 0.030 2 246 29 29 PHE HB3 H 3.574 0.030 2 247 29 29 PHE HD1 H 6.965 0.030 1 248 29 29 PHE HD2 H 6.965 0.030 1 249 29 29 PHE HE1 H 7.706 0.030 1 250 29 29 PHE HE2 H 7.706 0.030 1 251 29 29 PHE HZ H 7.145 0.030 1 252 29 29 PHE C C 174.384 0.300 1 253 29 29 PHE CA C 56.299 0.300 1 254 29 29 PHE CB C 39.059 0.300 1 255 29 29 PHE CD1 C 133.562 0.300 1 256 29 29 PHE CD2 C 133.562 0.300 1 257 29 29 PHE CE1 C 132.121 0.300 1 258 29 29 PHE CE2 C 132.121 0.300 1 259 29 29 PHE CZ C 129.699 0.300 1 260 29 29 PHE N N 116.343 0.300 1 261 30 30 THR H H 7.777 0.030 1 262 30 30 THR HA H 4.554 0.030 1 263 30 30 THR HB H 4.432 0.030 1 264 30 30 THR HG2 H 1.264 0.030 1 265 30 30 THR C C 176.671 0.300 1 266 30 30 THR CA C 59.685 0.300 1 267 30 30 THR CB C 70.687 0.300 1 268 30 30 THR CG2 C 22.224 0.300 1 269 30 30 THR N N 108.876 0.300 1 270 31 31 ALA H H 8.819 0.030 1 271 31 31 ALA HA H 3.652 0.030 1 272 31 31 ALA HB H 1.241 0.030 1 273 31 31 ALA C C 177.886 0.300 1 274 31 31 ALA CA C 54.383 0.300 1 275 31 31 ALA CB C 17.901 0.300 1 276 31 31 ALA N N 125.594 0.300 1 277 32 32 GLY H H 8.774 0.030 1 278 32 32 GLY HA2 H 3.384 0.030 2 279 32 32 GLY HA3 H 4.393 0.030 2 280 32 32 GLY C C 173.684 0.300 1 281 32 32 GLY CA C 45.039 0.300 1 282 32 32 GLY N N 110.907 0.300 1 283 33 33 THR H H 7.324 0.030 1 284 33 33 THR HA H 3.743 0.030 1 285 33 33 THR HB H 3.631 0.030 1 286 33 33 THR HG2 H 0.588 0.030 1 287 33 33 THR C C 171.712 0.300 1 288 33 33 THR CA C 65.000 0.300 1 289 33 33 THR CB C 69.820 0.300 1 290 33 33 THR CG2 C 22.905 0.300 1 291 33 33 THR N N 117.917 0.300 1 292 34 34 VAL H H 8.097 0.030 1 293 34 34 VAL HA H 4.573 0.030 1 294 34 34 VAL HB H 1.811 0.030 1 295 34 34 VAL HG1 H 0.854 0.030 1 296 34 34 VAL HG2 H 0.889 0.030 1 297 34 34 VAL C C 174.742 0.300 1 298 34 34 VAL CA C 61.483 0.300 1 299 34 34 VAL CB C 33.128 0.300 1 300 34 34 VAL CG1 C 21.690 0.300 2 301 34 34 VAL CG2 C 21.779 0.300 2 302 34 34 VAL N N 126.358 0.300 1 303 35 35 PHE H H 8.927 0.030 1 304 35 35 PHE HA H 4.718 0.030 1 305 35 35 PHE HB2 H 2.421 0.030 2 306 35 35 PHE HB3 H 2.756 0.030 2 307 35 35 PHE HD1 H 6.634 0.030 1 308 35 35 PHE HD2 H 6.634 0.030 1 309 35 35 PHE HE1 H 6.495 0.030 1 310 35 35 PHE HE2 H 6.495 0.030 1 311 35 35 PHE HZ H 4.965 0.030 1 312 35 35 PHE C C 174.504 0.300 1 313 35 35 PHE CA C 55.887 0.300 1 314 35 35 PHE CB C 42.821 0.300 1 315 35 35 PHE CD1 C 131.200 0.300 1 316 35 35 PHE CD2 C 131.200 0.300 1 317 35 35 PHE CE1 C 130.359 0.300 1 318 35 35 PHE CE2 C 130.359 0.300 1 319 35 35 PHE CZ C 128.298 0.300 1 320 35 35 PHE N N 125.226 0.300 1 321 36 36 ASP H H 8.756 0.030 1 322 36 36 ASP HA H 5.118 0.030 1 323 36 36 ASP HB2 H 2.472 0.030 2 324 36 36 ASP HB3 H 2.586 0.030 2 325 36 36 ASP C C 175.914 0.300 1 326 36 36 ASP CA C 52.907 0.300 1 327 36 36 ASP CB C 44.214 0.300 1 328 36 36 ASP N N 118.409 0.300 1 329 37 37 ASN H H 8.744 0.030 1 330 37 37 ASN HA H 4.268 0.030 1 331 37 37 ASN HB2 H 2.535 0.030 2 332 37 37 ASN HB3 H 2.922 0.030 2 333 37 37 ASN HD21 H 6.770 0.030 2 334 37 37 ASN HD22 H 7.463 0.030 2 335 37 37 ASN C C 174.441 0.300 1 336 37 37 ASN CA C 54.013 0.300 1 337 37 37 ASN CB C 37.217 0.300 1 338 37 37 ASN N N 117.358 0.300 1 339 37 37 ASN ND2 N 111.889 0.300 1 340 38 38 VAL H H 9.084 0.030 1 341 38 38 VAL HA H 5.067 0.030 1 342 38 38 VAL HB H 1.936 0.030 1 343 38 38 VAL HG1 H 0.696 0.030 1 344 38 38 VAL HG2 H 0.808 0.030 1 345 38 38 VAL C C 176.886 0.300 1 346 38 38 VAL CA C 62.280 0.300 1 347 38 38 VAL CB C 31.619 0.300 1 348 38 38 VAL CG1 C 24.189 0.300 2 349 38 38 VAL CG2 C 24.447 0.300 2 350 38 38 VAL N N 120.441 0.300 1 351 39 39 HIS H H 8.981 0.030 1 352 39 39 HIS HA H 5.220 0.030 1 353 39 39 HIS HB2 H 3.145 0.030 2 354 39 39 HIS HB3 H 3.229 0.030 2 355 39 39 HIS HD2 H 7.229 0.030 1 356 39 39 HIS HE1 H 8.388 0.030 1 357 39 39 HIS C C 170.325 0.300 1 358 39 39 HIS CA C 53.220 0.300 1 359 39 39 HIS CB C 28.717 0.300 1 360 39 39 HIS CD2 C 121.661 0.300 1 361 39 39 HIS CE1 C 135.965 0.300 1 362 39 39 HIS N N 123.072 0.300 1 363 40 40 PRO HA H 4.465 0.030 1 364 40 40 PRO HB2 H 1.968 0.030 2 365 40 40 PRO HB3 H 2.545 0.030 2 366 40 40 PRO HD2 H 3.775 0.030 2 367 40 40 PRO HD3 H 3.886 0.030 2 368 40 40 PRO HG2 H 1.984 0.030 2 369 40 40 PRO HG3 H 2.212 0.030 2 370 40 40 PRO CA C 64.836 0.300 1 371 40 40 PRO CB C 32.450 0.300 1 372 40 40 PRO CD C 51.075 0.300 1 373 40 40 PRO CG C 28.340 0.300 1 374 41 41 SER H H 8.069 0.030 1 375 41 41 SER HA H 4.720 0.030 1 376 41 41 SER HB2 H 3.637 0.030 2 377 41 41 SER HB3 H 4.116 0.030 2 378 41 41 SER C C 174.284 0.300 1 379 41 41 SER CA C 57.426 0.300 1 380 41 41 SER CB C 65.353 0.300 1 381 41 41 SER N N 118.456 0.300 1 382 42 42 GLN H H 8.657 0.030 1 383 42 42 GLN HA H 4.246 0.030 1 384 42 42 GLN HB2 H 2.046 0.030 2 385 42 42 GLN HB3 H 2.242 0.030 2 386 42 42 GLN HE21 H 6.857 0.030 2 387 42 42 GLN HE22 H 7.649 0.030 2 388 42 42 GLN HG2 H 2.416 0.030 2 389 42 42 GLN HG3 H 2.453 0.030 2 390 42 42 GLN C C 175.909 0.300 1 391 42 42 GLN CA C 57.324 0.300 1 392 42 42 GLN CB C 28.900 0.300 1 393 42 42 GLN CG C 34.209 0.300 1 394 42 42 GLN N N 118.679 0.300 1 395 42 42 GLN NE2 N 112.863 0.300 1 396 43 43 GLU H H 8.730 0.030 1 397 43 43 GLU HA H 4.884 0.030 1 398 43 43 GLU HB2 H 1.798 0.030 2 399 43 43 GLU HB3 H 1.967 0.030 2 400 43 43 GLU HG2 H 2.095 0.030 2 401 43 43 GLU HG3 H 2.137 0.030 2 402 43 43 GLU C C 174.027 0.300 1 403 43 43 GLU CA C 52.604 0.300 1 404 43 43 GLU CB C 30.563 0.300 1 405 43 43 GLU CG C 35.424 0.300 1 406 43 43 GLU N N 122.106 0.300 1 407 44 44 PRO HA H 4.376 0.030 1 408 44 44 PRO HB2 H 1.956 0.030 2 409 44 44 PRO HB3 H 2.349 0.030 2 410 44 44 PRO HD2 H 3.811 0.030 2 411 44 44 PRO HD3 H 4.071 0.030 2 412 44 44 PRO HG2 H 2.038 0.030 2 413 44 44 PRO HG3 H 2.179 0.030 2 414 44 44 PRO CA C 63.829 0.300 1 415 44 44 PRO CB C 31.927 0.300 1 416 44 44 PRO CD C 51.212 0.300 1 417 44 44 PRO CG C 27.736 0.300 1 418 45 45 GLY H H 8.847 0.030 1 419 45 45 GLY HA2 H 3.595 0.030 2 420 45 45 GLY HA3 H 4.169 0.030 2 421 45 45 GLY C C 174.475 0.300 1 422 45 45 GLY CA C 45.006 0.300 1 423 45 45 GLY N N 111.057 0.300 1 424 46 46 TRP H H 8.013 0.030 1 425 46 46 TRP HA H 5.069 0.030 1 426 46 46 TRP HB2 H 3.100 0.030 1 427 46 46 TRP HB3 H 3.100 0.030 1 428 46 46 TRP HD1 H 7.016 0.030 1 429 46 46 TRP HE1 H 10.085 0.030 1 430 46 46 TRP HE3 H 7.248 0.030 1 431 46 46 TRP HH2 H 7.160 0.030 1 432 46 46 TRP HZ2 H 7.395 0.030 1 433 46 46 TRP HZ3 H 6.801 0.030 1 434 46 46 TRP C C 176.310 0.300 1 435 46 46 TRP CA C 56.545 0.300 1 436 46 46 TRP CB C 32.102 0.300 1 437 46 46 TRP CD1 C 127.797 0.300 1 438 46 46 TRP CE3 C 119.939 0.300 1 439 46 46 TRP CH2 C 125.075 0.300 1 440 46 46 TRP CZ2 C 114.581 0.300 1 441 46 46 TRP CZ3 C 120.751 0.300 1 442 46 46 TRP N N 120.216 0.300 1 443 46 46 TRP NE1 N 129.139 0.300 1 444 47 47 LEU H H 9.713 0.030 1 445 47 47 LEU HA H 4.733 0.030 1 446 47 47 LEU HB2 H 1.227 0.030 2 447 47 47 LEU HB3 H 1.365 0.030 2 448 47 47 LEU HD1 H 0.842 0.030 1 449 47 47 LEU HD2 H 0.630 0.030 1 450 47 47 LEU HG H 1.416 0.030 1 451 47 47 LEU C C 174.905 0.300 1 452 47 47 LEU CA C 53.000 0.300 1 453 47 47 LEU CB C 44.223 0.300 1 454 47 47 LEU CD1 C 22.434 0.300 2 455 47 47 LEU CD2 C 27.287 0.300 2 456 47 47 LEU CG C 27.036 0.300 1 457 47 47 LEU N N 125.369 0.300 1 458 48 48 GLU H H 8.951 0.030 1 459 48 48 GLU HA H 4.992 0.030 1 460 48 48 GLU HB2 H 1.327 0.030 2 461 48 48 GLU HB3 H 1.388 0.030 2 462 48 48 GLU HG2 H 1.947 0.030 2 463 48 48 GLU HG3 H 2.009 0.030 2 464 48 48 GLU C C 174.274 0.300 1 465 48 48 GLU CA C 54.944 0.300 1 466 48 48 GLU CB C 32.746 0.300 1 467 48 48 GLU CG C 37.956 0.300 1 468 48 48 GLU N N 121.251 0.300 1 469 49 49 GLY H H 8.507 0.030 1 470 49 49 GLY HA2 H 3.294 0.030 2 471 49 49 GLY HA3 H 4.638 0.030 2 472 49 49 GLY C C 170.876 0.300 1 473 49 49 GLY CA C 45.308 0.300 1 474 49 49 GLY N N 108.325 0.300 1 475 50 50 THR H H 8.811 0.030 1 476 50 50 THR HA H 5.421 0.030 1 477 50 50 THR HB H 3.766 0.030 1 478 50 50 THR HG2 H 1.095 0.030 1 479 50 50 THR C C 173.184 0.300 1 480 50 50 THR CA C 61.968 0.300 1 481 50 50 THR CB C 71.275 0.300 1 482 50 50 THR CG2 C 21.270 0.300 1 483 50 50 THR N N 113.532 0.300 1 484 51 51 LEU H H 9.371 0.030 1 485 51 51 LEU HA H 4.854 0.030 1 486 51 51 LEU HB2 H 1.471 0.030 2 487 51 51 LEU HB3 H 2.037 0.030 2 488 51 51 LEU HD1 H 0.849 0.030 1 489 51 51 LEU HD2 H 1.109 0.030 1 490 51 51 LEU HG H 1.538 0.030 1 491 51 51 LEU C C 176.114 0.300 1 492 51 51 LEU CA C 53.651 0.300 1 493 51 51 LEU CB C 46.455 0.300 1 494 51 51 LEU CD1 C 23.579 0.300 2 495 51 51 LEU CD2 C 26.706 0.300 2 496 51 51 LEU CG C 27.778 0.300 1 497 51 51 LEU N N 128.055 0.300 1 498 52 52 ASN H H 9.848 0.030 1 499 52 52 ASN HA H 4.419 0.030 1 500 52 52 ASN HB2 H 2.804 0.030 2 501 52 52 ASN HB3 H 3.085 0.030 2 502 52 52 ASN HD21 H 6.983 0.030 2 503 52 52 ASN HD22 H 7.735 0.030 2 504 52 52 ASN C C 175.464 0.300 1 505 52 52 ASN CA C 54.267 0.300 1 506 52 52 ASN CB C 37.520 0.300 1 507 52 52 ASN N N 128.651 0.300 1 508 52 52 ASN ND2 N 113.035 0.300 1 509 53 53 GLY H H 8.496 0.030 1 510 53 53 GLY HA2 H 3.575 0.030 2 511 53 53 GLY HA3 H 4.210 0.030 2 512 53 53 GLY C C 173.270 0.300 1 513 53 53 GLY CA C 45.439 0.300 1 514 53 53 GLY N N 103.118 0.300 1 515 54 54 LYS H H 7.947 0.030 1 516 54 54 LYS HA H 4.718 0.030 1 517 54 54 LYS HB2 H 1.818 0.030 2 518 54 54 LYS HB3 H 2.001 0.030 2 519 54 54 LYS HD2 H 1.741 0.030 2 520 54 54 LYS HD3 H 1.789 0.030 2 521 54 54 LYS HE2 H 3.055 0.030 1 522 54 54 LYS HE3 H 3.055 0.030 1 523 54 54 LYS HG2 H 1.316 0.030 2 524 54 54 LYS HG3 H 1.491 0.030 2 525 54 54 LYS C C 174.604 0.300 1 526 54 54 LYS CA C 54.944 0.300 1 527 54 54 LYS CB C 34.643 0.300 1 528 54 54 LYS CD C 29.207 0.300 1 529 54 54 LYS CE C 42.463 0.300 1 530 54 54 LYS CG C 25.253 0.300 1 531 54 54 LYS N N 123.176 0.300 1 532 55 55 THR H H 8.768 0.030 1 533 55 55 THR HA H 5.430 0.030 1 534 55 55 THR HB H 3.905 0.030 1 535 55 55 THR HG2 H 1.190 0.030 1 536 55 55 THR C C 174.819 0.300 1 537 55 55 THR CA C 61.340 0.300 1 538 55 55 THR CB C 70.438 0.300 1 539 55 55 THR CG2 C 21.788 0.300 1 540 55 55 THR N N 122.868 0.300 1 541 56 56 GLY H H 8.941 0.030 1 542 56 56 GLY HA2 H 3.770 0.030 2 543 56 56 GLY HA3 H 4.463 0.030 2 544 56 56 GLY C C 170.883 0.300 1 545 56 56 GLY CA C 45.586 0.300 1 546 56 56 GLY N N 112.917 0.300 1 547 57 57 LEU H H 8.605 0.030 1 548 57 57 LEU HA H 5.399 0.030 1 549 57 57 LEU HB2 H 1.396 0.030 2 550 57 57 LEU HB3 H 1.570 0.030 2 551 57 57 LEU HD1 H 0.726 0.030 1 552 57 57 LEU HD2 H 0.344 0.030 1 553 57 57 LEU HG H 1.630 0.030 1 554 57 57 LEU C C 178.619 0.300 1 555 57 57 LEU CA C 54.723 0.300 1 556 57 57 LEU CB C 44.205 0.300 1 557 57 57 LEU CD1 C 22.772 0.300 2 558 57 57 LEU CD2 C 24.830 0.300 2 559 57 57 LEU CG C 27.060 0.300 1 560 57 57 LEU N N 117.118 0.300 1 561 58 58 ILE H H 9.379 0.030 1 562 58 58 ILE HA H 4.814 0.030 1 563 58 58 ILE HB H 1.109 0.030 1 564 58 58 ILE HD1 H -0.486 0.030 1 565 58 58 ILE HG12 H 0.152 0.030 2 566 58 58 ILE HG13 H 1.238 0.030 2 567 58 58 ILE HG2 H 0.425 0.030 1 568 58 58 ILE C C 172.984 0.300 1 569 58 58 ILE CA C 58.720 0.300 1 570 58 58 ILE CB C 44.684 0.300 1 571 58 58 ILE CD1 C 13.453 0.300 1 572 58 58 ILE CG1 C 27.217 0.300 1 573 58 58 ILE CG2 C 17.146 0.300 1 574 58 58 ILE N N 122.556 0.300 1 575 59 59 PRO HA H 3.623 0.030 1 576 59 59 PRO HB2 H 1.440 0.030 2 577 59 59 PRO HB3 H 1.533 0.030 2 578 59 59 PRO HD2 H 3.305 0.030 2 579 59 59 PRO HD3 H 4.594 0.030 2 580 59 59 PRO HG2 H 1.086 0.030 2 581 59 59 PRO HG3 H 1.456 0.030 2 582 59 59 PRO CA C 63.085 0.300 1 583 59 59 PRO CB C 31.065 0.300 1 584 59 59 PRO CD C 51.234 0.300 1 585 59 59 PRO CG C 27.391 0.300 1 586 60 60 GLU H H 7.952 0.030 1 587 60 60 GLU HA H 3.690 0.030 1 588 60 60 GLU HB2 H 1.722 0.030 1 589 60 60 GLU HB3 H 1.722 0.030 1 590 60 60 GLU HG2 H 2.039 0.030 2 591 60 60 GLU HG3 H 2.155 0.030 2 592 60 60 GLU C C 176.439 0.300 1 593 60 60 GLU CA C 59.272 0.300 1 594 60 60 GLU CB C 29.920 0.300 1 595 60 60 GLU CG C 35.404 0.300 1 596 60 60 GLU N N 123.982 0.300 1 597 61 61 ASN H H 8.453 0.030 1 598 61 61 ASN HA H 4.827 0.030 1 599 61 61 ASN HB2 H 2.870 0.030 2 600 61 61 ASN HB3 H 3.033 0.030 2 601 61 61 ASN HD21 H 6.840 0.030 2 602 61 61 ASN HD22 H 7.599 0.030 2 603 61 61 ASN C C 175.499 0.300 1 604 61 61 ASN CA C 53.488 0.300 1 605 61 61 ASN CB C 36.844 0.300 1 606 61 61 ASN N N 111.682 0.300 1 607 61 61 ASN ND2 N 112.142 0.300 1 608 62 62 TYR H H 8.041 0.030 1 609 62 62 TYR HA H 4.854 0.030 1 610 62 62 TYR HB2 H 3.471 0.030 2 611 62 62 TYR HB3 H 3.542 0.030 2 612 62 62 TYR HD1 H 7.139 0.030 1 613 62 62 TYR HD2 H 7.139 0.030 1 614 62 62 TYR HE1 H 6.860 0.030 1 615 62 62 TYR HE2 H 6.860 0.030 1 616 62 62 TYR C C 175.673 0.300 1 617 62 62 TYR CA C 58.443 0.300 1 618 62 62 TYR CB C 38.882 0.300 1 619 62 62 TYR CD1 C 131.160 0.300 1 620 62 62 TYR CD2 C 131.160 0.300 1 621 62 62 TYR CE1 C 118.508 0.300 1 622 62 62 TYR CE2 C 118.508 0.300 1 623 62 62 TYR N N 118.338 0.300 1 624 63 63 VAL H H 7.097 0.030 1 625 63 63 VAL HA H 5.383 0.030 1 626 63 63 VAL HB H 1.579 0.030 1 627 63 63 VAL HG1 H 0.178 0.030 1 628 63 63 VAL HG2 H 0.398 0.030 1 629 63 63 VAL C C 173.741 0.300 1 630 63 63 VAL CA C 58.202 0.300 1 631 63 63 VAL CB C 35.550 0.300 1 632 63 63 VAL CG1 C 18.016 0.300 2 633 63 63 VAL CG2 C 21.778 0.300 2 634 63 63 VAL N N 108.533 0.300 1 635 64 64 GLU H H 8.496 0.030 1 636 64 64 GLU HA H 4.669 0.030 1 637 64 64 GLU HB2 H 1.836 0.030 2 638 64 64 GLU HB3 H 1.928 0.030 2 639 64 64 GLU HG2 H 2.153 0.030 2 640 64 64 GLU HG3 H 2.196 0.030 2 641 64 64 GLU C C 176.009 0.300 1 642 64 64 GLU CA C 53.959 0.300 1 643 64 64 GLU CB C 33.481 0.300 1 644 64 64 GLU CG C 35.842 0.300 1 645 64 64 GLU N N 119.055 0.300 1 646 65 65 PHE H H 9.089 0.030 1 647 65 65 PHE HA H 4.568 0.030 1 648 65 65 PHE HB2 H 2.928 0.030 2 649 65 65 PHE HB3 H 3.134 0.030 2 650 65 65 PHE HD1 H 7.316 0.030 1 651 65 65 PHE HD2 H 7.316 0.030 1 652 65 65 PHE HE1 H 7.174 0.030 1 653 65 65 PHE HE2 H 7.174 0.030 1 654 65 65 PHE HZ H 7.001 0.030 1 655 65 65 PHE C C 176.471 0.300 1 656 65 65 PHE CA C 60.054 0.300 1 657 65 65 PHE CB C 39.751 0.300 1 658 65 65 PHE CD1 C 131.320 0.300 1 659 65 65 PHE CD2 C 131.320 0.300 1 660 65 65 PHE CE1 C 131.160 0.300 1 661 65 65 PHE CE2 C 131.160 0.300 1 662 65 65 PHE CZ C 129.491 0.300 1 663 65 65 PHE N N 124.307 0.300 1 664 66 66 LEU H H 8.438 0.030 1 665 66 66 LEU HA H 4.565 0.030 1 666 66 66 LEU HB2 H 1.597 0.030 2 667 66 66 LEU HB3 H 1.678 0.030 2 668 66 66 LEU HD1 H 0.862 0.030 1 669 66 66 LEU HD2 H 0.875 0.030 1 670 66 66 LEU HG H 1.544 0.030 1 671 66 66 LEU C C 177.286 0.300 1 672 66 66 LEU CA C 54.502 0.300 1 673 66 66 LEU CB C 42.507 0.300 1 674 66 66 LEU CD1 C 23.122 0.300 2 675 66 66 LEU CD2 C 25.926 0.300 2 676 66 66 LEU CG C 27.700 0.300 1 677 66 66 LEU N N 122.633 0.300 1 678 67 67 SER H H 8.545 0.030 1 679 67 67 SER HA H 4.581 0.030 1 680 67 67 SER HB2 H 3.913 0.030 1 681 67 67 SER HB3 H 3.913 0.030 1 682 67 67 SER C C 174.427 0.300 1 683 67 67 SER CA C 58.185 0.300 1 684 67 67 SER CB C 64.426 0.300 1 685 67 67 SER N N 116.853 0.300 1 686 68 68 GLY H H 8.369 0.030 1 687 68 68 GLY HA2 H 4.109 0.030 2 688 68 68 GLY HA3 H 4.154 0.030 2 689 68 68 GLY C C 171.783 0.300 1 690 68 68 GLY CA C 44.738 0.300 1 691 68 68 GLY N N 110.412 0.300 1 692 69 69 PRO HA H 4.482 0.030 1 693 69 69 PRO HB2 H 1.994 0.030 2 694 69 69 PRO HB3 H 2.299 0.030 2 695 69 69 PRO HD2 H 3.596 0.030 2 696 69 69 PRO HD3 H 3.640 0.030 2 697 69 69 PRO HG2 H 2.024 0.030 1 698 69 69 PRO HG3 H 2.024 0.030 1 699 69 69 PRO CA C 63.257 0.300 1 700 69 69 PRO CB C 32.225 0.300 1 701 69 69 PRO CD C 49.785 0.300 1 702 69 69 PRO CG C 27.207 0.300 1 703 71 71 SER HA H 4.498 0.030 1 704 71 71 SER HB2 H 3.867 0.030 1 705 71 71 SER HB3 H 3.867 0.030 1 706 71 71 SER C C 173.830 0.300 1 707 71 71 SER CA C 58.306 0.300 1 708 71 71 SER CB C 64.118 0.300 1 709 72 72 GLY H H 8.036 0.030 1 710 72 72 GLY HA2 H 3.758 0.030 2 711 72 72 GLY HA3 H 3.794 0.030 2 712 72 72 GLY C C 178.949 0.300 1 713 72 72 GLY CA C 46.263 0.300 1 714 72 72 GLY N N 116.714 0.300 1 stop_ save_