data_10289 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the homeobox domain of Zinc finger homeobox protein 1b (Smad interacting protein 1) ; _BMRB_accession_number 10289 _BMRB_flat_file_name bmr10289.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-18 _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 Kigawa T. . . 3 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 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" 387 "13C chemical shifts" 292 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the homeobox domain of Zinc finger homeobox protein 1b (Smad interacting protein 1) ; _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 Ohnishi S. . . 2 Kigawa T. . . 3 Sato M. . . 4 Koshiba S. . . 5 Inoue M. . . 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 'Zinc finger homeobox protein 1b' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'homeobox 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 'homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GSSGSSGSPINPYKDHMSVL KAYYAMNMEPNSDELLKISI AVGLPQEFVKEWFEQRKVYQ YSNSRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 PRO 10 ILE 11 ASN 12 PRO 13 TYR 14 LYS 15 ASP 16 HIS 17 MET 18 SER 19 VAL 20 LEU 21 LYS 22 ALA 23 TYR 24 TYR 25 ALA 26 MET 27 ASN 28 MET 29 GLU 30 PRO 31 ASN 32 SER 33 ASP 34 GLU 35 LEU 36 LEU 37 LYS 38 ILE 39 SER 40 ILE 41 ALA 42 VAL 43 GLY 44 LEU 45 PRO 46 GLN 47 GLU 48 PHE 49 VAL 50 LYS 51 GLU 52 TRP 53 PHE 54 GLU 55 GLN 56 ARG 57 LYS 58 VAL 59 TYR 60 GLN 61 TYR 62 SER 63 ASN 64 SER 65 ARG 66 SER 67 GLY 68 PRO 69 SER 70 SER 71 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 2DA7 "Solution Structure Of The Homeobox Domain Of Zinc Finger Homeobox Protein 1b (Smad Interacting Protein 1)" 100.00 71 100.00 100.00 4.46e-43 DBJ BAA25495 "KIAA0569 protein [Homo sapiens]" 83.10 1318 100.00 100.00 9.25e-32 DBJ BAB40819 "Smad interacting protein 1 [Homo sapiens]" 83.10 1214 100.00 100.00 8.96e-32 DBJ BAC65594 "mKIAA0569 protein [Mus musculus]" 83.10 1248 100.00 100.00 7.57e-32 DBJ BAE24572 "unnamed protein product [Mus musculus]" 83.10 1215 100.00 100.00 7.17e-32 DBJ BAG72873 "zinc finger E-box binding homeobox 2 [synthetic construct]" 83.10 1214 100.00 100.00 8.96e-32 EMBL CAH90122 "hypothetical protein [Pongo abelii]" 83.10 1214 98.31 100.00 2.76e-31 EMBL CAJ29798 "Zfhx1b zinc finger homeobox 1b [Rattus norvegicus]" 83.10 1215 98.31 100.00 4.31e-31 GB AAD56590 "Smad interacting protein 1 [Mus musculus]" 83.10 1215 100.00 100.00 7.98e-32 GB AAH60699 "Zinc finger E-box binding homeobox 2 [Mus musculus]" 83.10 1215 100.00 100.00 6.84e-32 GB AAI27102 "Zinc finger E-box binding homeobox 2 [Homo sapiens]" 83.10 1213 100.00 100.00 8.95e-32 GB AAI27103 "Zinc finger E-box binding homeobox 2 [Homo sapiens]" 83.10 1214 100.00 100.00 8.96e-32 GB AAK52081 "smad-interacting protein-1 [Homo sapiens]" 83.10 1214 100.00 100.00 8.96e-32 REF NP_001028873 "zinc finger E-box-binding homeobox 2 [Rattus norvegicus]" 83.10 1215 98.31 100.00 4.31e-31 REF NP_001125020 "zinc finger E-box-binding homeobox 2 [Pongo abelii]" 83.10 1214 98.31 100.00 2.76e-31 REF NP_001165124 "zinc finger E-box-binding homeobox 2 isoform 2 [Homo sapiens]" 83.10 1190 100.00 100.00 9.23e-32 REF NP_001276450 "zinc finger E-box-binding homeobox 2 [Mus musculus]" 83.10 1215 100.00 100.00 6.84e-32 REF NP_055610 "zinc finger E-box-binding homeobox 2 isoform 1 [Homo sapiens]" 83.10 1214 100.00 100.00 8.96e-32 SP O60315 "RecName: Full=Zinc finger E-box-binding homeobox 2; AltName: Full=Smad-interacting protein 1; Short=SMADIP1; AltName: Full=Zinc" 83.10 1214 100.00 100.00 8.96e-32 SP Q9R0G7 "RecName: Full=Zinc finger E-box-binding homeobox 2; AltName: Full=Smad-interacting protein 1; AltName: Full=Zinc finger homeobo" 83.10 1215 100.00 100.00 6.84e-32 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 P050404-18 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 1.2 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . 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 0.932 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 'homeobox 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 3.980 0.030 1 2 7 7 GLY HA3 H 3.980 0.030 1 3 7 7 GLY C C 173.809 0.300 1 4 7 7 GLY CA C 45.148 0.300 1 5 8 8 SER H H 8.167 0.030 1 6 8 8 SER C C 172.741 0.300 1 7 8 8 SER CA C 56.432 0.300 1 8 8 8 SER CB C 63.397 0.300 1 9 8 8 SER N N 116.986 0.300 1 10 9 9 PRO HA H 4.471 0.030 1 11 9 9 PRO HB2 H 1.884 0.030 2 12 9 9 PRO HB3 H 2.276 0.030 2 13 9 9 PRO HD2 H 3.817 0.030 2 14 9 9 PRO HD3 H 3.708 0.030 2 15 9 9 PRO HG2 H 2.002 0.030 1 16 9 9 PRO HG3 H 2.002 0.030 1 17 9 9 PRO C C 176.771 0.300 1 18 9 9 PRO CA C 63.244 0.300 1 19 9 9 PRO CB C 32.121 0.300 1 20 9 9 PRO CD C 50.736 0.300 1 21 9 9 PRO CG C 27.248 0.300 1 22 10 10 ILE H H 8.173 0.030 1 23 10 10 ILE HA H 4.084 0.030 1 24 10 10 ILE HB H 1.793 0.030 1 25 10 10 ILE HD1 H 0.836 0.030 1 26 10 10 ILE HG12 H 1.166 0.030 2 27 10 10 ILE HG13 H 1.457 0.030 2 28 10 10 ILE HG2 H 0.849 0.030 1 29 10 10 ILE C C 175.703 0.300 1 30 10 10 ILE CA C 61.051 0.300 1 31 10 10 ILE CB C 38.806 0.300 1 32 10 10 ILE CD1 C 12.927 0.300 1 33 10 10 ILE CG1 C 27.461 0.300 1 34 10 10 ILE CG2 C 17.513 0.300 1 35 10 10 ILE N N 120.782 0.300 1 36 11 11 ASN H H 8.538 0.030 1 37 11 11 ASN HA H 4.992 0.030 1 38 11 11 ASN HB2 H 2.746 0.030 2 39 11 11 ASN HB3 H 2.896 0.030 2 40 11 11 ASN HD21 H 6.962 0.030 2 41 11 11 ASN HD22 H 7.711 0.030 2 42 11 11 ASN C C 173.785 0.300 1 43 11 11 ASN CA C 50.794 0.300 1 44 11 11 ASN CB C 39.063 0.300 1 45 11 11 ASN N N 123.456 0.300 1 46 11 11 ASN ND2 N 112.144 0.300 1 47 12 12 PRO HA H 4.328 0.030 1 48 12 12 PRO HB2 H 1.561 0.030 2 49 12 12 PRO HB3 H 2.092 0.030 2 50 12 12 PRO HD2 H 3.696 0.030 2 51 12 12 PRO HD3 H 3.758 0.030 2 52 12 12 PRO HG2 H 1.571 0.030 2 53 12 12 PRO HG3 H 1.846 0.030 2 54 12 12 PRO C C 176.674 0.300 1 55 12 12 PRO CA C 63.616 0.300 1 56 12 12 PRO CB C 31.997 0.300 1 57 12 12 PRO CD C 50.691 0.300 1 58 12 12 PRO CG C 26.694 0.300 1 59 13 13 TYR H H 7.994 0.030 1 60 13 13 TYR HA H 4.574 0.030 1 61 13 13 TYR HB2 H 2.877 0.030 2 62 13 13 TYR HB3 H 3.062 0.030 2 63 13 13 TYR HD1 H 6.949 0.030 1 64 13 13 TYR HD2 H 6.949 0.030 1 65 13 13 TYR HE1 H 6.703 0.030 1 66 13 13 TYR HE2 H 6.703 0.030 1 67 13 13 TYR C C 176.237 0.300 1 68 13 13 TYR CA C 57.866 0.300 1 69 13 13 TYR CB C 38.013 0.300 1 70 13 13 TYR CD1 C 132.946 0.300 1 71 13 13 TYR CD2 C 132.946 0.300 1 72 13 13 TYR CE1 C 117.934 0.300 1 73 13 13 TYR CE2 C 117.934 0.300 1 74 13 13 TYR N N 118.352 0.300 1 75 14 14 LYS H H 7.727 0.030 1 76 14 14 LYS HA H 4.131 0.030 1 77 14 14 LYS HB2 H 1.764 0.030 1 78 14 14 LYS HB3 H 1.764 0.030 1 79 14 14 LYS HD2 H 1.691 0.030 1 80 14 14 LYS HD3 H 1.691 0.030 1 81 14 14 LYS HE2 H 2.995 0.030 2 82 14 14 LYS HG2 H 1.339 0.030 2 83 14 14 LYS HG3 H 1.402 0.030 2 84 14 14 LYS C C 176.626 0.300 1 85 14 14 LYS CA C 57.704 0.300 1 86 14 14 LYS CB C 33.154 0.300 1 87 14 14 LYS CD C 29.296 0.300 1 88 14 14 LYS CE C 42.146 0.300 1 89 14 14 LYS CG C 24.483 0.300 1 90 14 14 LYS N N 121.585 0.300 1 91 15 15 ASP H H 8.374 0.030 1 92 15 15 ASP HA H 4.620 0.030 1 93 15 15 ASP HB2 H 2.745 0.030 2 94 15 15 ASP HB3 H 2.555 0.030 2 95 15 15 ASP C C 174.125 0.300 1 96 15 15 ASP CA C 54.763 0.300 1 97 15 15 ASP CB C 40.533 0.300 1 98 15 15 ASP N N 119.870 0.300 1 99 16 16 HIS H H 8.034 0.030 1 100 16 16 HIS HA H 4.419 0.030 1 101 16 16 HIS HB2 H 3.116 0.030 2 102 16 16 HIS HB3 H 2.956 0.030 2 103 16 16 HIS HD2 H 6.913 0.030 1 104 16 16 HIS HE1 H 7.796 0.030 1 105 16 16 HIS CA C 58.742 0.300 1 106 16 16 HIS CB C 30.675 0.300 1 107 16 16 HIS CD2 C 120.128 0.300 1 108 16 16 HIS CE1 C 139.056 0.300 1 109 16 16 HIS N N 124.264 0.300 1 110 17 17 MET H H 8.049 0.030 1 111 17 17 MET HA H 4.160 0.030 1 112 17 17 MET HB2 H 2.000 0.030 2 113 17 17 MET HB3 H 2.166 0.030 2 114 17 17 MET HE H 2.022 0.030 1 115 17 17 MET HG2 H 2.531 0.030 2 116 17 17 MET HG3 H 2.702 0.030 2 117 17 17 MET CA C 57.275 0.300 1 118 17 17 MET CB C 31.055 0.300 1 119 17 17 MET CE C 17.062 0.300 1 120 17 17 MET CG C 32.364 0.300 1 121 17 17 MET N N 117.829 0.300 1 122 18 18 SER HA H 4.134 0.030 1 123 18 18 SER HB2 H 3.967 0.030 2 124 18 18 SER HB3 H 3.923 0.030 2 125 18 18 SER C C 176.941 0.300 1 126 18 18 SER CA C 61.889 0.300 1 127 18 18 SER CB C 62.424 0.300 1 128 19 19 VAL H H 7.568 0.030 1 129 19 19 VAL HA H 3.809 0.030 1 130 19 19 VAL HB H 2.169 0.030 1 131 19 19 VAL HG1 H 1.037 0.030 1 132 19 19 VAL HG2 H 1.002 0.030 1 133 19 19 VAL C C 177.913 0.300 1 134 19 19 VAL CA C 65.637 0.300 1 135 19 19 VAL CB C 31.737 0.300 1 136 19 19 VAL CG1 C 22.107 0.300 2 137 19 19 VAL CG2 C 21.749 0.300 2 138 19 19 VAL N N 122.341 0.300 1 139 20 20 LEU H H 7.788 0.030 1 140 20 20 LEU HA H 3.940 0.030 1 141 20 20 LEU HB2 H 0.010 0.030 2 142 20 20 LEU HB3 H 0.836 0.030 2 143 20 20 LEU HD1 H 0.157 0.030 1 144 20 20 LEU HD2 H 0.504 0.030 1 145 20 20 LEU HG H 1.293 0.030 1 146 20 20 LEU C C 178.520 0.300 1 147 20 20 LEU CA C 58.336 0.300 1 148 20 20 LEU CB C 39.138 0.300 1 149 20 20 LEU CD1 C 24.634 0.300 2 150 20 20 LEU CD2 C 23.596 0.300 2 151 20 20 LEU CG C 26.613 0.300 1 152 20 20 LEU N N 120.156 0.300 1 153 21 21 LYS H H 8.067 0.030 1 154 21 21 LYS HA H 4.047 0.030 1 155 21 21 LYS HB2 H 1.956 0.030 2 156 21 21 LYS HB3 H 1.987 0.030 2 157 21 21 LYS HD2 H 1.739 0.030 2 158 21 21 LYS HE2 H 2.981 0.030 2 159 21 21 LYS HG2 H 1.531 0.030 2 160 21 21 LYS HG3 H 1.821 0.030 2 161 21 21 LYS C C 179.102 0.300 1 162 21 21 LYS CA C 60.667 0.300 1 163 21 21 LYS CB C 32.519 0.300 1 164 21 21 LYS CD C 29.629 0.300 1 165 21 21 LYS CE C 42.066 0.300 1 166 21 21 LYS CG C 26.631 0.300 1 167 21 21 LYS N N 117.374 0.300 1 168 22 22 ALA H H 7.718 0.030 1 169 22 22 ALA HA H 4.217 0.030 1 170 22 22 ALA HB H 1.425 0.030 1 171 22 22 ALA C C 180.486 0.300 1 172 22 22 ALA CA C 54.954 0.300 1 173 22 22 ALA CB C 17.934 0.300 1 174 22 22 ALA N N 122.528 0.300 1 175 23 23 TYR H H 8.036 0.030 1 176 23 23 TYR HA H 4.291 0.030 1 177 23 23 TYR HB2 H 3.348 0.030 2 178 23 23 TYR HB3 H 3.173 0.030 2 179 23 23 TYR HD1 H 7.251 0.030 1 180 23 23 TYR HD2 H 7.251 0.030 1 181 23 23 TYR HE1 H 6.696 0.030 1 182 23 23 TYR HE2 H 6.696 0.030 1 183 23 23 TYR C C 178.860 0.300 1 184 23 23 TYR CA C 62.616 0.300 1 185 23 23 TYR CB C 38.455 0.300 1 186 23 23 TYR CD1 C 133.292 0.300 1 187 23 23 TYR CD2 C 133.292 0.300 1 188 23 23 TYR CE1 C 118.134 0.300 1 189 23 23 TYR CE2 C 118.134 0.300 1 190 23 23 TYR N N 117.835 0.300 1 191 24 24 TYR H H 8.856 0.030 1 192 24 24 TYR HA H 4.420 0.030 1 193 24 24 TYR HB2 H 3.251 0.030 2 194 24 24 TYR HB3 H 3.203 0.030 2 195 24 24 TYR HD1 H 7.104 0.030 1 196 24 24 TYR HD2 H 7.104 0.030 1 197 24 24 TYR HE1 H 6.874 0.030 1 198 24 24 TYR HE2 H 6.874 0.030 1 199 24 24 TYR C C 175.484 0.300 1 200 24 24 TYR CA C 61.291 0.300 1 201 24 24 TYR CB C 38.629 0.300 1 202 24 24 TYR CD1 C 133.331 0.300 1 203 24 24 TYR CD2 C 133.331 0.300 1 204 24 24 TYR CE1 C 118.306 0.300 1 205 24 24 TYR CE2 C 118.306 0.300 1 206 24 24 TYR N N 122.534 0.300 1 207 25 25 ALA H H 7.616 0.030 1 208 25 25 ALA HA H 4.084 0.030 1 209 25 25 ALA HB H 1.524 0.030 1 210 25 25 ALA C C 179.224 0.300 1 211 25 25 ALA CA C 53.893 0.300 1 212 25 25 ALA CB C 18.433 0.300 1 213 25 25 ALA N N 116.147 0.300 1 214 26 26 MET H H 7.379 0.030 1 215 26 26 MET HA H 4.353 0.030 1 216 26 26 MET HB2 H 2.158 0.030 1 217 26 26 MET HB3 H 2.158 0.030 1 218 26 26 MET HE H 1.969 0.030 1 219 26 26 MET HG2 H 2.685 0.030 2 220 26 26 MET HG3 H 2.538 0.030 2 221 26 26 MET C C 176.529 0.300 1 222 26 26 MET CA C 56.724 0.300 1 223 26 26 MET CB C 33.645 0.300 1 224 26 26 MET CE C 16.866 0.300 1 225 26 26 MET CG C 31.851 0.300 1 226 26 26 MET N N 114.990 0.300 1 227 27 27 ASN H H 7.865 0.030 1 228 27 27 ASN HA H 4.562 0.030 1 229 27 27 ASN HB2 H 2.822 0.030 1 230 27 27 ASN HB3 H 2.822 0.030 1 231 27 27 ASN HD21 H 6.530 0.030 2 232 27 27 ASN HD22 H 7.621 0.030 2 233 27 27 ASN C C 173.323 0.300 1 234 27 27 ASN CA C 53.143 0.300 1 235 27 27 ASN CB C 38.096 0.300 1 236 27 27 ASN N N 117.385 0.300 1 237 27 27 ASN ND2 N 110.204 0.300 1 238 28 28 MET H H 8.400 0.030 1 239 28 28 MET HA H 4.064 0.030 1 240 28 28 MET HB2 H 1.894 0.030 1 241 28 28 MET HB3 H 1.894 0.030 1 242 28 28 MET HE H 2.066 0.030 1 243 28 28 MET HG2 H 2.343 0.030 2 244 28 28 MET HG3 H 1.816 0.030 2 245 28 28 MET C C 175.557 0.300 1 246 28 28 MET CA C 57.419 0.300 1 247 28 28 MET CB C 33.795 0.300 1 248 28 28 MET CE C 17.034 0.300 1 249 28 28 MET CG C 32.155 0.300 1 250 28 28 MET N N 121.660 0.300 1 251 29 29 GLU H H 7.821 0.030 1 252 29 29 GLU HA H 4.757 0.030 1 253 29 29 GLU HB2 H 1.806 0.030 2 254 29 29 GLU HB3 H 2.036 0.030 2 255 29 29 GLU HG2 H 2.173 0.030 1 256 29 29 GLU HG3 H 2.173 0.030 1 257 29 29 GLU C C 172.328 0.300 1 258 29 29 GLU CA C 53.293 0.300 1 259 29 29 GLU CB C 30.761 0.300 1 260 29 29 GLU CG C 36.429 0.300 1 261 29 29 GLU N N 116.541 0.300 1 262 30 30 PRO HA H 4.475 0.030 1 263 30 30 PRO HB2 H 1.582 0.030 2 264 30 30 PRO HB3 H 1.756 0.030 2 265 30 30 PRO HD2 H 3.239 0.030 1 266 30 30 PRO HD3 H 3.239 0.030 1 267 30 30 PRO HG2 H 1.154 0.030 2 268 30 30 PRO HG3 H 0.671 0.030 2 269 30 30 PRO C C 177.014 0.300 1 270 30 30 PRO CA C 62.603 0.300 1 271 30 30 PRO CB C 31.915 0.300 1 272 30 30 PRO CD C 50.608 0.300 1 273 30 30 PRO CG C 26.622 0.300 1 274 31 31 ASN H H 8.909 0.030 1 275 31 31 ASN HA H 4.673 0.030 1 276 31 31 ASN HB2 H 2.948 0.030 2 277 31 31 ASN HB3 H 3.383 0.030 2 278 31 31 ASN HD21 H 6.969 0.030 2 279 31 31 ASN HD22 H 7.468 0.030 2 280 31 31 ASN C C 175.460 0.300 1 281 31 31 ASN CA C 51.303 0.300 1 282 31 31 ASN CB C 38.261 0.300 1 283 31 31 ASN N N 120.499 0.300 1 284 31 31 ASN ND2 N 111.302 0.300 1 285 32 32 SER H H 8.486 0.030 1 286 32 32 SER HA H 4.024 0.030 1 287 32 32 SER HB2 H 3.921 0.030 1 288 32 32 SER HB3 H 3.921 0.030 1 289 32 32 SER C C 176.650 0.300 1 290 32 32 SER CA C 62.621 0.300 1 291 32 32 SER CB C 62.675 0.300 1 292 32 32 SER N N 112.460 0.300 1 293 33 33 ASP H H 7.935 0.030 1 294 33 33 ASP HA H 4.441 0.030 1 295 33 33 ASP HB2 H 2.745 0.030 2 296 33 33 ASP HB3 H 2.662 0.030 2 297 33 33 ASP C C 178.811 0.300 1 298 33 33 ASP CA C 57.456 0.300 1 299 33 33 ASP CB C 40.870 0.300 1 300 33 33 ASP N N 122.575 0.300 1 301 34 34 GLU H H 8.442 0.030 1 302 34 34 GLU HA H 3.898 0.030 1 303 34 34 GLU HB2 H 2.139 0.030 2 304 34 34 GLU HB3 H 1.848 0.030 2 305 34 34 GLU HG2 H 2.448 0.030 2 306 34 34 GLU HG3 H 2.242 0.030 2 307 34 34 GLU C C 179.127 0.300 1 308 34 34 GLU CA C 59.041 0.300 1 309 34 34 GLU CB C 29.854 0.300 1 310 34 34 GLU CG C 36.855 0.300 1 311 34 34 GLU N N 121.743 0.300 1 312 35 35 LEU H H 8.723 0.030 1 313 35 35 LEU HA H 3.735 0.030 1 314 35 35 LEU HB2 H 1.319 0.030 2 315 35 35 LEU HB3 H 1.868 0.030 2 316 35 35 LEU HD1 H 0.749 0.030 1 317 35 35 LEU HD2 H 0.545 0.030 1 318 35 35 LEU HG H 1.442 0.030 1 319 35 35 LEU C C 179.321 0.300 1 320 35 35 LEU CA C 58.118 0.300 1 321 35 35 LEU CB C 42.428 0.300 1 322 35 35 LEU CD1 C 25.582 0.300 2 323 35 35 LEU CD2 C 24.775 0.300 2 324 35 35 LEU CG C 27.039 0.300 1 325 35 35 LEU N N 119.674 0.300 1 326 36 36 LEU H H 7.651 0.030 1 327 36 36 LEU HA H 4.039 0.030 1 328 36 36 LEU HB2 H 1.709 0.030 2 329 36 36 LEU HB3 H 2.015 0.030 2 330 36 36 LEU HD1 H 0.942 0.030 1 331 36 36 LEU HD2 H 0.948 0.030 1 332 36 36 LEU HG H 1.611 0.030 1 333 36 36 LEU C C 178.908 0.300 1 334 36 36 LEU CA C 58.414 0.300 1 335 36 36 LEU CB C 41.040 0.300 1 336 36 36 LEU CD1 C 23.171 0.300 2 337 36 36 LEU CD2 C 25.333 0.300 2 338 36 36 LEU CG C 27.016 0.300 1 339 36 36 LEU N N 121.058 0.300 1 340 37 37 LYS H H 7.704 0.030 1 341 37 37 LYS HA H 3.874 0.030 1 342 37 37 LYS HB2 H 1.899 0.030 2 343 37 37 LYS HB3 H 1.939 0.030 2 344 37 37 LYS HD2 H 1.667 0.030 2 345 37 37 LYS HD3 H 1.702 0.030 2 346 37 37 LYS HE2 H 2.970 0.030 2 347 37 37 LYS HG2 H 1.416 0.030 2 348 37 37 LYS HG3 H 1.643 0.030 2 349 37 37 LYS C C 180.025 0.300 1 350 37 37 LYS CA C 60.345 0.300 1 351 37 37 LYS CB C 32.327 0.300 1 352 37 37 LYS CD C 29.369 0.300 1 353 37 37 LYS CE C 42.063 0.300 1 354 37 37 LYS CG C 25.719 0.300 1 355 37 37 LYS N N 119.032 0.300 1 356 38 38 ILE H H 8.413 0.030 1 357 38 38 ILE HA H 3.296 0.030 1 358 38 38 ILE HB H 1.602 0.030 1 359 38 38 ILE HD1 H 0.476 0.030 1 360 38 38 ILE HG12 H 0.084 0.030 2 361 38 38 ILE HG13 H 1.540 0.030 2 362 38 38 ILE HG2 H 0.573 0.030 1 363 38 38 ILE C C 177.063 0.300 1 364 38 38 ILE CA C 65.479 0.300 1 365 38 38 ILE CB C 38.384 0.300 1 366 38 38 ILE CD1 C 14.021 0.300 1 367 38 38 ILE CG1 C 28.564 0.300 1 368 38 38 ILE CG2 C 17.920 0.300 1 369 38 38 ILE N N 120.466 0.300 1 370 39 39 SER H H 8.183 0.030 1 371 39 39 SER HA H 4.047 0.030 1 372 39 39 SER HB2 H 4.042 0.030 2 373 39 39 SER HB3 H 4.248 0.030 2 374 39 39 SER C C 176.359 0.300 1 375 39 39 SER CA C 62.620 0.300 1 376 39 39 SER CB C 62.548 0.300 1 377 39 39 SER N N 115.371 0.300 1 378 40 40 ILE H H 7.983 0.030 1 379 40 40 ILE HA H 3.785 0.030 1 380 40 40 ILE HB H 1.823 0.030 1 381 40 40 ILE HD1 H 0.838 0.030 1 382 40 40 ILE HG12 H 1.150 0.030 2 383 40 40 ILE HG13 H 1.760 0.030 2 384 40 40 ILE HG2 H 0.916 0.030 1 385 40 40 ILE C C 178.714 0.300 1 386 40 40 ILE CA C 64.307 0.300 1 387 40 40 ILE CB C 38.440 0.300 1 388 40 40 ILE CD1 C 13.256 0.300 1 389 40 40 ILE CG1 C 29.080 0.300 1 390 40 40 ILE CG2 C 17.028 0.300 1 391 40 40 ILE N N 121.913 0.300 1 392 41 41 ALA H H 7.886 0.030 1 393 41 41 ALA HA H 4.157 0.030 1 394 41 41 ALA HB H 1.566 0.030 1 395 41 41 ALA C C 180.147 0.300 1 396 41 41 ALA CA C 55.268 0.300 1 397 41 41 ALA CB C 18.646 0.300 1 398 41 41 ALA N N 122.775 0.300 1 399 42 42 VAL H H 8.268 0.030 1 400 42 42 VAL HA H 4.352 0.030 1 401 42 42 VAL HB H 2.248 0.030 1 402 42 42 VAL HG1 H 0.963 0.030 1 403 42 42 VAL HG2 H 0.966 0.030 1 404 42 42 VAL C C 175.849 0.300 1 405 42 42 VAL CA C 61.352 0.300 1 406 42 42 VAL CB C 32.632 0.300 1 407 42 42 VAL CG1 C 21.977 0.300 2 408 42 42 VAL CG2 C 20.575 0.300 2 409 42 42 VAL N N 108.944 0.300 1 410 43 43 GLY H H 7.837 0.030 1 411 43 43 GLY HA2 H 3.937 0.030 2 412 43 43 GLY HA3 H 3.852 0.030 2 413 43 43 GLY C C 174.392 0.300 1 414 43 43 GLY CA C 46.770 0.300 1 415 43 43 GLY N N 110.644 0.300 1 416 44 44 LEU H H 7.483 0.030 1 417 44 44 LEU HA H 4.833 0.030 1 418 44 44 LEU HB2 H 1.109 0.030 1 419 44 44 LEU HB3 H 1.109 0.030 1 420 44 44 LEU HD1 H 0.473 0.030 1 421 44 44 LEU HD2 H 0.392 0.030 1 422 44 44 LEU HG H 1.249 0.030 1 423 44 44 LEU C C 173.348 0.300 1 424 44 44 LEU CA C 51.178 0.300 1 425 44 44 LEU CB C 45.096 0.300 1 426 44 44 LEU CD1 C 25.517 0.300 2 427 44 44 LEU CD2 C 22.475 0.300 2 428 44 44 LEU CG C 26.132 0.300 1 429 44 44 LEU N N 118.486 0.300 1 430 45 45 PRO HA H 4.447 0.030 1 431 45 45 PRO HB2 H 1.924 0.030 2 432 45 45 PRO HB3 H 2.579 0.030 2 433 45 45 PRO HD2 H 3.238 0.030 2 434 45 45 PRO HD3 H 3.753 0.030 2 435 45 45 PRO HG2 H 2.016 0.030 2 436 45 45 PRO HG3 H 2.098 0.030 2 437 45 45 PRO C C 178.301 0.300 1 438 45 45 PRO CA C 62.740 0.300 1 439 45 45 PRO CB C 32.626 0.300 1 440 45 45 PRO CD C 50.649 0.300 1 441 45 45 PRO CG C 28.006 0.300 1 442 46 46 GLN H H 9.200 0.030 1 443 46 46 GLN HA H 4.007 0.030 1 444 46 46 GLN HB2 H 2.121 0.030 1 445 46 46 GLN HB3 H 2.121 0.030 1 446 46 46 GLN HE21 H 6.762 0.030 2 447 46 46 GLN HE22 H 7.267 0.030 2 448 46 46 GLN HG2 H 2.323 0.030 1 449 46 46 GLN HG3 H 2.323 0.030 1 450 46 46 GLN C C 177.718 0.300 1 451 46 46 GLN CA C 60.099 0.300 1 452 46 46 GLN CB C 28.371 0.300 1 453 46 46 GLN CG C 33.802 0.300 1 454 46 46 GLN N N 125.692 0.300 1 455 46 46 GLN NE2 N 110.025 0.300 1 456 47 47 GLU H H 9.618 0.030 1 457 47 47 GLU HA H 4.036 0.030 1 458 47 47 GLU HB2 H 2.055 0.030 1 459 47 47 GLU HB3 H 2.055 0.030 1 460 47 47 GLU HG2 H 2.400 0.030 2 461 47 47 GLU HG3 H 2.369 0.030 2 462 47 47 GLU C C 178.860 0.300 1 463 47 47 GLU CA C 60.029 0.300 1 464 47 47 GLU CB C 28.746 0.300 1 465 47 47 GLU CG C 36.394 0.300 1 466 47 47 GLU N N 117.907 0.300 1 467 48 48 PHE H H 7.194 0.030 1 468 48 48 PHE HA H 4.385 0.030 1 469 48 48 PHE HB2 H 3.189 0.030 2 470 48 48 PHE HB3 H 3.309 0.030 2 471 48 48 PHE HD1 H 7.097 0.030 1 472 48 48 PHE HD2 H 7.097 0.030 1 473 48 48 PHE HE1 H 7.158 0.030 1 474 48 48 PHE HE2 H 7.158 0.030 1 475 48 48 PHE HZ H 7.231 0.030 1 476 48 48 PHE C C 177.524 0.300 1 477 48 48 PHE CA C 60.699 0.300 1 478 48 48 PHE CB C 39.190 0.300 1 479 48 48 PHE CD1 C 131.616 0.300 1 480 48 48 PHE CD2 C 131.616 0.300 1 481 48 48 PHE CE1 C 131.409 0.300 1 482 48 48 PHE CE2 C 131.409 0.300 1 483 48 48 PHE CZ C 129.957 0.300 1 484 48 48 PHE N N 119.141 0.300 1 485 49 49 VAL H H 7.761 0.030 1 486 49 49 VAL HA H 3.509 0.030 1 487 49 49 VAL HB H 2.214 0.030 1 488 49 49 VAL HG1 H 1.088 0.030 1 489 49 49 VAL HG2 H 0.940 0.030 1 490 49 49 VAL C C 177.306 0.300 1 491 49 49 VAL CA C 67.242 0.300 1 492 49 49 VAL CB C 31.844 0.300 1 493 49 49 VAL CG1 C 22.684 0.300 2 494 49 49 VAL CG2 C 24.008 0.300 2 495 49 49 VAL N N 120.478 0.300 1 496 50 50 LYS H H 8.751 0.030 1 497 50 50 LYS HA H 4.023 0.030 1 498 50 50 LYS HB2 H 1.922 0.030 2 499 50 50 LYS HB3 H 1.978 0.030 2 500 50 50 LYS HD2 H 1.671 0.030 2 501 50 50 LYS HD3 H 1.707 0.030 2 502 50 50 LYS HE2 H 2.999 0.030 2 503 50 50 LYS HG2 H 1.406 0.030 2 504 50 50 LYS HG3 H 1.490 0.030 2 505 50 50 LYS C C 178.593 0.300 1 506 50 50 LYS CA C 60.274 0.300 1 507 50 50 LYS CB C 32.821 0.300 1 508 50 50 LYS CD C 29.587 0.300 1 509 50 50 LYS CE C 42.146 0.300 1 510 50 50 LYS CG C 24.681 0.300 1 511 50 50 LYS N N 119.513 0.300 1 512 51 51 GLU H H 7.636 0.030 1 513 51 51 GLU HA H 4.110 0.030 1 514 51 51 GLU HB2 H 2.058 0.030 2 515 51 51 GLU HB3 H 2.127 0.030 2 516 51 51 GLU HG2 H 2.255 0.030 2 517 51 51 GLU HG3 H 2.404 0.030 2 518 51 51 GLU C C 177.791 0.300 1 519 51 51 GLU CA C 59.253 0.300 1 520 51 51 GLU CB C 29.442 0.300 1 521 51 51 GLU CG C 36.333 0.300 1 522 51 51 GLU N N 118.681 0.300 1 523 52 52 TRP H H 8.396 0.030 1 524 52 52 TRP HA H 3.794 0.030 1 525 52 52 TRP HB2 H 2.761 0.030 2 526 52 52 TRP HB3 H 3.399 0.030 2 527 52 52 TRP HD1 H 6.995 0.030 1 528 52 52 TRP HE1 H 9.757 0.030 1 529 52 52 TRP HE3 H 6.729 0.030 1 530 52 52 TRP HH2 H 6.350 0.030 1 531 52 52 TRP HZ2 H 7.041 0.030 1 532 52 52 TRP HZ3 H 5.901 0.030 1 533 52 52 TRP C C 179.709 0.300 1 534 52 52 TRP CA C 62.688 0.300 1 535 52 52 TRP CB C 28.806 0.300 1 536 52 52 TRP CD1 C 126.868 0.300 1 537 52 52 TRP CE3 C 121.050 0.300 1 538 52 52 TRP CH2 C 122.611 0.300 1 539 52 52 TRP CZ2 C 113.568 0.300 1 540 52 52 TRP CZ3 C 121.074 0.300 1 541 52 52 TRP N N 121.740 0.300 1 542 52 52 TRP NE1 N 128.825 0.300 1 543 53 53 PHE H H 8.602 0.030 1 544 53 53 PHE HA H 3.899 0.030 1 545 53 53 PHE HB2 H 3.296 0.030 2 546 53 53 PHE HB3 H 3.403 0.030 2 547 53 53 PHE HD1 H 7.870 0.030 1 548 53 53 PHE HD2 H 7.870 0.030 1 549 53 53 PHE HE1 H 7.553 0.030 1 550 53 53 PHE HE2 H 7.553 0.030 1 551 53 53 PHE HZ H 7.321 0.030 1 552 53 53 PHE C C 179.297 0.300 1 553 53 53 PHE CA C 63.414 0.300 1 554 53 53 PHE CB C 39.480 0.300 1 555 53 53 PHE CD1 C 132.653 0.300 1 556 53 53 PHE CD2 C 132.653 0.300 1 557 53 53 PHE CE1 C 131.595 0.300 1 558 53 53 PHE CE2 C 131.595 0.300 1 559 53 53 PHE CZ C 129.476 0.300 1 560 53 53 PHE N N 117.648 0.300 1 561 54 54 GLU H H 8.372 0.030 1 562 54 54 GLU HA H 4.070 0.030 1 563 54 54 GLU HB2 H 2.093 0.030 2 564 54 54 GLU HB3 H 2.254 0.030 2 565 54 54 GLU HG2 H 2.382 0.030 2 566 54 54 GLU HG3 H 2.492 0.030 2 567 54 54 GLU C C 179.540 0.300 1 568 54 54 GLU CA C 59.676 0.300 1 569 54 54 GLU CB C 29.448 0.300 1 570 54 54 GLU CG C 36.421 0.300 1 571 54 54 GLU N N 120.198 0.300 1 572 55 55 GLN H H 8.275 0.030 1 573 55 55 GLN HA H 3.975 0.030 1 574 55 55 GLN HB2 H 1.925 0.030 1 575 55 55 GLN HB3 H 1.925 0.030 1 576 55 55 GLN HE21 H 7.450 0.030 2 577 55 55 GLN HE22 H 6.657 0.030 2 578 55 55 GLN HG2 H 2.336 0.030 2 579 55 55 GLN HG3 H 2.481 0.030 2 580 55 55 GLN C C 177.913 0.300 1 581 55 55 GLN CA C 57.773 0.300 1 582 55 55 GLN CB C 28.075 0.300 1 583 55 55 GLN CG C 34.056 0.300 1 584 55 55 GLN N N 117.674 0.300 1 585 55 55 GLN NE2 N 111.772 0.300 1 586 56 56 ARG H H 7.413 0.030 1 587 56 56 ARG HA H 3.727 0.030 1 588 56 56 ARG HB2 H 1.027 0.030 2 589 56 56 ARG HB3 H 1.375 0.030 2 590 56 56 ARG HD2 H 1.824 0.030 2 591 56 56 ARG HD3 H 1.612 0.030 2 592 56 56 ARG HG2 H 0.553 0.030 1 593 56 56 ARG HG3 H 0.553 0.030 1 594 56 56 ARG C C 177.670 0.300 1 595 56 56 ARG CA C 57.278 0.300 1 596 56 56 ARG CB C 29.564 0.300 1 597 56 56 ARG CD C 42.274 0.300 1 598 56 56 ARG CG C 25.625 0.300 1 599 56 56 ARG N N 119.111 0.300 1 600 57 57 LYS H H 7.468 0.030 1 601 57 57 LYS HA H 4.215 0.030 1 602 57 57 LYS HB2 H 1.956 0.030 1 603 57 57 LYS HB3 H 1.956 0.030 1 604 57 57 LYS HD2 H 1.764 0.030 1 605 57 57 LYS HD3 H 1.764 0.030 1 606 57 57 LYS HE2 H 2.977 0.030 1 607 57 57 LYS HE3 H 2.977 0.030 1 608 57 57 LYS HG2 H 1.486 0.030 2 609 57 57 LYS HG3 H 1.641 0.030 2 610 57 57 LYS C C 177.937 0.300 1 611 57 57 LYS CA C 58.454 0.300 1 612 57 57 LYS CB C 32.656 0.300 1 613 57 57 LYS CD C 29.535 0.300 1 614 57 57 LYS CE C 42.175 0.300 1 615 57 57 LYS CG C 25.221 0.300 1 616 57 57 LYS N N 118.984 0.300 1 617 58 58 VAL H H 7.564 0.030 1 618 58 58 VAL HA H 3.866 0.030 1 619 58 58 VAL HB H 2.021 0.030 1 620 58 58 VAL HG1 H 0.786 0.030 1 621 58 58 VAL HG2 H 0.935 0.030 1 622 58 58 VAL C C 177.306 0.300 1 623 58 58 VAL CA C 64.013 0.300 1 624 58 58 VAL CB C 32.128 0.300 1 625 58 58 VAL CG1 C 21.035 0.300 2 626 58 58 VAL CG2 C 21.342 0.300 2 627 58 58 VAL N N 118.037 0.300 1 628 59 59 TYR H H 7.871 0.030 1 629 59 59 TYR HA H 4.381 0.030 1 630 59 59 TYR HB2 H 2.900 0.030 2 631 59 59 TYR HB3 H 2.990 0.030 2 632 59 59 TYR HD1 H 7.027 0.030 1 633 59 59 TYR HD2 H 7.027 0.030 1 634 59 59 TYR HE1 H 6.736 0.030 1 635 59 59 TYR HE2 H 6.736 0.030 1 636 59 59 TYR C C 176.577 0.300 1 637 59 59 TYR CA C 59.112 0.300 1 638 59 59 TYR CB C 38.382 0.300 1 639 59 59 TYR CD1 C 132.985 0.300 1 640 59 59 TYR CD2 C 132.985 0.300 1 641 59 59 TYR CE1 C 118.164 0.300 1 642 59 59 TYR CE2 C 118.164 0.300 1 643 59 59 TYR N N 121.466 0.300 1 644 60 60 GLN H H 8.074 0.030 1 645 60 60 GLN HA H 4.103 0.030 1 646 60 60 GLN HB2 H 1.970 0.030 1 647 60 60 GLN HB3 H 1.970 0.030 1 648 60 60 GLN HE21 H 6.848 0.030 2 649 60 60 GLN HE22 H 7.428 0.030 2 650 60 60 GLN HG2 H 2.189 0.030 1 651 60 60 GLN HG3 H 2.189 0.030 1 652 60 60 GLN C C 176.334 0.300 1 653 60 60 GLN CA C 56.820 0.300 1 654 60 60 GLN CB C 29.003 0.300 1 655 60 60 GLN CG C 33.517 0.300 1 656 60 60 GLN N N 120.517 0.300 1 657 60 60 GLN NE2 N 112.201 0.300 1 658 61 61 TYR H H 8.001 0.030 1 659 61 61 TYR HA H 4.544 0.030 1 660 61 61 TYR HB2 H 2.977 0.030 2 661 61 61 TYR HB3 H 3.136 0.030 2 662 61 61 TYR HD1 H 7.155 0.030 1 663 61 61 TYR HD2 H 7.155 0.030 1 664 61 61 TYR HE1 H 6.815 0.030 1 665 61 61 TYR HE2 H 6.815 0.030 1 666 61 61 TYR C C 176.456 0.300 1 667 61 61 TYR CA C 58.442 0.300 1 668 61 61 TYR CB C 38.408 0.300 1 669 61 61 TYR CD1 C 133.138 0.300 1 670 61 61 TYR CD2 C 133.138 0.300 1 671 61 61 TYR CE1 C 118.194 0.300 1 672 61 61 TYR CE2 C 118.194 0.300 1 673 61 61 TYR N N 119.641 0.300 1 674 62 62 SER H H 8.071 0.030 1 675 62 62 SER HA H 4.371 0.030 1 676 62 62 SER HB2 H 3.881 0.030 2 677 62 62 SER HB3 H 3.847 0.030 2 678 62 62 SER C C 174.440 0.300 1 679 62 62 SER CA C 58.830 0.300 1 680 62 62 SER CB C 63.806 0.300 1 681 62 62 SER N N 116.272 0.300 1 682 63 63 ASN HA H 4.737 0.030 1 683 63 63 ASN HB2 H 2.717 0.030 2 684 63 63 ASN HB3 H 2.830 0.030 2 685 63 63 ASN HD21 H 7.496 0.030 2 686 63 63 ASN HD22 H 6.843 0.030 2 687 63 63 ASN CA C 50.823 0.300 1 688 63 63 ASN CB C 38.920 0.300 1 689 63 63 ASN ND2 N 112.913 0.300 1 690 64 64 SER HA H 4.407 0.030 1 691 64 64 SER HB2 H 3.870 0.030 1 692 64 64 SER HB3 H 3.870 0.030 1 693 64 64 SER C C 174.610 0.300 1 694 64 64 SER CA C 58.794 0.300 1 695 64 64 SER CB C 63.727 0.300 1 696 65 65 ARG H H 8.263 0.030 1 697 65 65 ARG HA H 4.405 0.030 1 698 65 65 ARG HB2 H 1.778 0.030 2 699 65 65 ARG HB3 H 1.908 0.030 2 700 65 65 ARG HD2 H 3.164 0.030 1 701 65 65 ARG HD3 H 3.164 0.030 1 702 65 65 ARG HG2 H 1.618 0.030 1 703 65 65 ARG HG3 H 1.618 0.030 1 704 65 65 ARG C C 176.310 0.300 1 705 65 65 ARG CA C 56.185 0.300 1 706 65 65 ARG CB C 30.643 0.300 1 707 65 65 ARG CD C 43.315 0.300 1 708 65 65 ARG CG C 27.023 0.300 1 709 65 65 ARG N N 122.520 0.300 1 710 66 66 SER H H 8.253 0.030 1 711 66 66 SER HA H 4.507 0.030 1 712 66 66 SER HB2 H 3.875 0.030 1 713 66 66 SER HB3 H 3.875 0.030 1 714 66 66 SER C C 174.489 0.300 1 715 66 66 SER CA C 58.320 0.300 1 716 66 66 SER CB C 63.974 0.300 1 717 66 66 SER N N 116.498 0.300 1 718 67 67 GLY H H 8.201 0.030 1 719 67 67 GLY HA2 H 4.113 0.030 2 720 67 67 GLY C C 171.769 0.300 1 721 67 67 GLY CA C 44.689 0.300 1 722 67 67 GLY N N 110.648 0.300 1 723 68 68 PRO HD2 H 3.607 0.030 2 724 68 68 PRO HG2 H 2.004 0.030 2 725 69 69 SER HA H 4.481 0.030 1 726 69 69 SER HB2 H 3.871 0.030 1 727 69 69 SER HB3 H 3.871 0.030 1 728 69 69 SER C C 174.659 0.300 1 729 69 69 SER CA C 58.371 0.300 1 730 69 69 SER CB C 63.645 0.300 1 731 70 70 SER H H 8.303 0.030 1 732 70 70 SER HA H 4.473 0.030 1 733 70 70 SER HB2 H 3.873 0.030 1 734 70 70 SER HB3 H 3.873 0.030 1 735 70 70 SER C C 173.930 0.300 1 736 70 70 SER CA C 58.406 0.300 1 737 70 70 SER CB C 64.057 0.300 1 738 70 70 SER N N 117.757 0.300 1 739 71 71 GLY H H 8.039 0.030 1 740 71 71 GLY C C 178.981 0.300 1 741 71 71 GLY CA C 46.241 0.300 1 742 71 71 GLY N N 116.838 0.300 1 stop_ save_