data_10288 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the homeobox domain of Hepatocyte nuclear factor 1-beta (HNF-1beta) ; _BMRB_accession_number 10288 _BMRB_flat_file_name bmr10288.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" 553 "13C chemical shifts" 401 "15N chemical shifts" 99 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 Hepatocyte nuclear factor 1-beta (HNF-1beta) ; _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 'Hepatocyte nuclear factor 1-beta' _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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GSSGSSGRNRFKWGPASQQI LYQAYDRQKNPSKEEREALV EECNRAECLQRGVSPSKAHG LGSNLVTEVRVYNWFANRRK EEAFRQKLAMDAYSSNSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 ASN 10 ARG 11 PHE 12 LYS 13 TRP 14 GLY 15 PRO 16 ALA 17 SER 18 GLN 19 GLN 20 ILE 21 LEU 22 TYR 23 GLN 24 ALA 25 TYR 26 ASP 27 ARG 28 GLN 29 LYS 30 ASN 31 PRO 32 SER 33 LYS 34 GLU 35 GLU 36 ARG 37 GLU 38 ALA 39 LEU 40 VAL 41 GLU 42 GLU 43 CYS 44 ASN 45 ARG 46 ALA 47 GLU 48 CYS 49 LEU 50 GLN 51 ARG 52 GLY 53 VAL 54 SER 55 PRO 56 SER 57 LYS 58 ALA 59 HIS 60 GLY 61 LEU 62 GLY 63 SER 64 ASN 65 LEU 66 VAL 67 THR 68 GLU 69 VAL 70 ARG 71 VAL 72 TYR 73 ASN 74 TRP 75 PHE 76 ALA 77 ASN 78 ARG 79 ARG 80 LYS 81 GLU 82 GLU 83 ALA 84 PHE 85 ARG 86 GLN 87 LYS 88 LEU 89 ALA 90 MET 91 ASP 92 ALA 93 TYR 94 SER 95 SER 96 ASN 97 SER 98 GLY 99 PRO 100 SER 101 SER 102 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 2DA6 "Solution Structure Of The Homeobox Domain Of Hepatocyte Nuclear Factor 1-Beta (Hnf-1beta)" 100.00 102 100.00 100.00 2.30e-67 PDB 2H8R "Hepatocyte Nuclear Factor 1b Bound To Dna: Mody5 Gene Product" 76.47 221 100.00 100.00 2.14e-49 DBJ BAA77718 "hepatic nuclear factor 1-beta long form [Mus musculus]" 87.25 558 100.00 100.00 1.85e-56 DBJ BAA77719 "hepatic nuclear factor 1-beta short form [Mus musculus]" 87.25 532 100.00 100.00 1.31e-56 DBJ BAA77720 "hepatic nuclear factor 1-beta long form [Mus musculus]" 87.25 558 100.00 100.00 2.18e-56 DBJ BAA77721 "hepatic nuclear factor 1-beta short form [Mus musculus]" 87.25 532 100.00 100.00 1.30e-56 DBJ BAB23604 "unnamed protein product [Mus musculus]" 87.25 558 100.00 100.00 1.85e-56 EMBL CAA39358 "LFB3 homeoprotein [Mus musculus]" 87.25 559 100.00 100.00 1.35e-56 EMBL CAA39886 "variant hepatic nuclear factor 1 (vHNF1) [Rattus norvegicus]" 87.25 557 100.00 100.00 2.04e-56 EMBL CAA41652 "variant hepatic nuclear factor 1 (vHNF1) [Homo sapiens]" 87.25 557 100.00 100.00 1.92e-56 EMBL CAA49356 "porcine vHNF-1 [Sus scrofa]" 88.24 559 98.89 98.89 8.93e-55 EMBL CAB59223 "varient hepatic nuclear factor 1 [Homo sapiens]" 87.25 166 100.00 100.00 1.48e-58 GB AAC63388 "hepatocyte nuclear factor 1-beta [Homo sapiens]" 87.25 557 100.00 100.00 1.92e-56 GB AAH17714 "HNF1 homeobox B [Homo sapiens]" 87.25 557 100.00 100.00 1.92e-56 GB AAH25189 "Hnf1b protein [Mus musculus]" 87.25 435 100.00 100.00 1.88e-57 GB AAH81826 "HNF1 homeobox B [Rattus norvegicus]" 87.25 557 100.00 100.00 2.04e-56 GB AAI29148 "HNF1 homeobox b [Danio rerio]" 85.29 559 98.85 100.00 2.20e-54 REF NP_000449 "hepatocyte nuclear factor 1-beta isoform 1 [Homo sapiens]" 87.25 557 100.00 100.00 1.92e-56 REF NP_001124797 "hepatocyte nuclear factor 1-beta [Pongo abelii]" 87.25 557 100.00 100.00 1.98e-56 REF NP_001159395 "hepatocyte nuclear factor 1-beta isoform 2 [Homo sapiens]" 87.25 531 100.00 100.00 1.25e-56 REF NP_001179784 "hepatocyte nuclear factor 1-beta [Bos taurus]" 87.25 557 98.88 100.00 1.13e-55 REF NP_001181477 "hepatocyte nuclear factor 1-beta [Macaca mulatta]" 87.25 557 100.00 100.00 1.80e-56 SP A1L1N5 "RecName: Full=Hepatocyte nuclear factor 1-beta-A; Short=HNF-1-beta-A; Short=HNF-1B-A; AltName: Full=Hepatocyte nuclear factor 1" 85.29 559 98.85 100.00 2.00e-54 SP P23899 "RecName: Full=Hepatocyte nuclear factor 1-beta; Short=HNF-1-beta; Short=HNF-1B; AltName: Full=Transcription factor 2; Short=TCF" 87.25 557 100.00 100.00 2.04e-56 SP P27889 "RecName: Full=Hepatocyte nuclear factor 1-beta; Short=HNF-1-beta; Short=HNF-1B; AltName: Full=Homeoprotein LFB3; AltName: Full=" 87.25 558 100.00 100.00 1.85e-56 SP P35680 "RecName: Full=Hepatocyte nuclear factor 1-beta; Short=HNF-1-beta; Short=HNF-1B; AltName: Full=Homeoprotein LFB3; AltName: Full=" 87.25 557 100.00 100.00 1.92e-56 SP Q03365 "RecName: Full=Hepatocyte nuclear factor 1-beta; Short=HNF-1-beta; Short=HNF-1B; AltName: Full=FPC-binding protein; Short=FPCB; " 88.24 559 98.89 98.89 8.93e-55 TPG DAA19061 "TPA: HNF1 homeobox B isoform 1 [Bos taurus]" 87.25 557 98.88 100.00 1.13e-55 TPG DAA19062 "TPA: HNF1 homeobox B isoform 2 [Bos taurus]" 87.25 531 98.88 100.00 7.16e-56 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 P050404-17 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-TrisHCl 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 9 9 ASN H H 8.856 0.030 1 2 9 9 ASN HA H 4.694 0.030 1 3 9 9 ASN HB2 H 2.844 0.030 2 4 9 9 ASN HB3 H 2.745 0.030 2 5 9 9 ASN HD21 H 6.939 0.030 2 6 9 9 ASN HD22 H 7.603 0.030 2 7 9 9 ASN CA C 53.401 0.300 1 8 9 9 ASN CB C 38.757 0.300 1 9 9 9 ASN ND2 N 113.186 0.300 1 10 10 10 ARG HA H 4.346 0.030 1 11 10 10 ARG HB2 H 1.711 0.030 2 12 10 10 ARG HB3 H 1.829 0.030 2 13 10 10 ARG HD2 H 3.189 0.030 1 14 10 10 ARG HD3 H 3.189 0.030 1 15 10 10 ARG HG2 H 1.581 0.030 1 16 10 10 ARG HG3 H 1.581 0.030 1 17 10 10 ARG C C 175.405 0.300 1 18 10 10 ARG CA C 56.181 0.300 1 19 10 10 ARG CB C 31.171 0.300 1 20 10 10 ARG CD C 43.406 0.300 1 21 10 10 ARG CG C 27.105 0.300 1 22 11 11 PHE H H 8.310 0.030 1 23 11 11 PHE HA H 4.291 0.030 1 24 11 11 PHE HB2 H 2.595 0.030 2 25 11 11 PHE HB3 H 2.986 0.030 2 26 11 11 PHE HD1 H 6.695 0.030 1 27 11 11 PHE HD2 H 6.695 0.030 1 28 11 11 PHE HE1 H 6.056 0.030 1 29 11 11 PHE HE2 H 6.056 0.030 1 30 11 11 PHE HZ H 5.825 0.030 1 31 11 11 PHE C C 174.458 0.300 1 32 11 11 PHE CA C 58.967 0.300 1 33 11 11 PHE CB C 40.138 0.300 1 34 11 11 PHE CD1 C 131.012 0.300 1 35 11 11 PHE CD2 C 131.012 0.300 1 36 11 11 PHE CE1 C 131.012 0.300 1 37 11 11 PHE CE2 C 131.012 0.300 1 38 11 11 PHE CZ C 128.907 0.300 1 39 11 11 PHE N N 123.604 0.300 1 40 12 12 LYS H H 7.307 0.030 1 41 12 12 LYS HA H 4.165 0.030 1 42 12 12 LYS HB2 H 1.510 0.030 2 43 12 12 LYS HB3 H 1.407 0.030 2 44 12 12 LYS HD2 H 1.596 0.030 1 45 12 12 LYS HD3 H 1.596 0.030 1 46 12 12 LYS HE2 H 2.954 0.030 1 47 12 12 LYS HE3 H 2.954 0.030 1 48 12 12 LYS HG2 H 1.214 0.030 1 49 12 12 LYS HG3 H 1.214 0.030 1 50 12 12 LYS C C 174.385 0.300 1 51 12 12 LYS CA C 54.593 0.300 1 52 12 12 LYS CB C 34.712 0.300 1 53 12 12 LYS CD C 29.245 0.300 1 54 12 12 LYS CE C 42.170 0.300 1 55 12 12 LYS CG C 24.306 0.300 1 56 12 12 LYS N N 127.282 0.300 1 57 13 13 TRP H H 8.039 0.030 1 58 13 13 TRP HA H 4.370 0.030 1 59 13 13 TRP HB2 H 3.080 0.030 2 60 13 13 TRP HB3 H 3.028 0.030 2 61 13 13 TRP HD1 H 7.548 0.030 1 62 13 13 TRP HE1 H 10.463 0.030 1 63 13 13 TRP HE3 H 7.716 0.030 1 64 13 13 TRP HH2 H 6.810 0.030 1 65 13 13 TRP HZ2 H 7.567 0.030 1 66 13 13 TRP HZ3 H 7.058 0.030 1 67 13 13 TRP C C 177.857 0.300 1 68 13 13 TRP CA C 56.675 0.300 1 69 13 13 TRP CB C 30.317 0.300 1 70 13 13 TRP CD1 C 126.969 0.300 1 71 13 13 TRP CE3 C 120.769 0.300 1 72 13 13 TRP CH2 C 123.374 0.300 1 73 13 13 TRP CZ2 C 114.826 0.300 1 74 13 13 TRP CZ3 C 122.567 0.300 1 75 13 13 TRP N N 124.264 0.300 1 76 13 13 TRP NE1 N 128.553 0.300 1 77 14 14 GLY H H 9.815 0.030 1 78 14 14 GLY HA2 H 4.370 0.030 2 79 14 14 GLY HA3 H 4.335 0.030 2 80 14 14 GLY C C 172.904 0.300 1 81 14 14 GLY CA C 44.157 0.300 1 82 14 14 GLY N N 115.294 0.300 1 83 15 15 PRO HA H 4.327 0.030 1 84 15 15 PRO HB2 H 2.016 0.030 2 85 15 15 PRO HB3 H 2.348 0.030 2 86 15 15 PRO HD2 H 3.751 0.030 2 87 15 15 PRO HD3 H 4.023 0.030 2 88 15 15 PRO HG2 H 2.174 0.030 2 89 15 15 PRO HG3 H 2.085 0.030 2 90 15 15 PRO C C 179.726 0.300 1 91 15 15 PRO CA C 65.171 0.300 1 92 15 15 PRO CB C 31.829 0.300 1 93 15 15 PRO CD C 50.237 0.300 1 94 15 15 PRO CG C 27.681 0.300 1 95 16 16 ALA H H 9.214 0.030 1 96 16 16 ALA HA H 4.166 0.030 1 97 16 16 ALA HB H 1.357 0.030 1 98 16 16 ALA C C 181.184 0.300 1 99 16 16 ALA CA C 55.370 0.300 1 100 16 16 ALA CB C 18.058 0.300 1 101 16 16 ALA N N 122.414 0.300 1 102 17 17 SER H H 7.985 0.030 1 103 17 17 SER HA H 4.317 0.030 1 104 17 17 SER HB2 H 3.962 0.030 2 105 17 17 SER C C 175.381 0.300 1 106 17 17 SER CA C 63.163 0.300 1 107 17 17 SER CB C 64.055 0.300 1 108 17 17 SER N N 116.568 0.300 1 109 18 18 GLN H H 8.316 0.030 1 110 18 18 GLN HA H 3.323 0.030 1 111 18 18 GLN HB2 H 2.036 0.030 1 112 18 18 GLN HB3 H 2.036 0.030 1 113 18 18 GLN HE21 H 7.068 0.030 2 114 18 18 GLN HE22 H 6.814 0.030 2 115 18 18 GLN HG2 H 1.969 0.030 2 116 18 18 GLN HG3 H 2.413 0.030 2 117 18 18 GLN C C 176.812 0.300 1 118 18 18 GLN CA C 60.025 0.300 1 119 18 18 GLN CB C 28.686 0.300 1 120 18 18 GLN CG C 35.029 0.300 1 121 18 18 GLN N N 119.002 0.300 1 122 18 18 GLN NE2 N 111.414 0.300 1 123 19 19 GLN H H 7.582 0.030 1 124 19 19 GLN HA H 4.062 0.030 1 125 19 19 GLN HB2 H 2.156 0.030 1 126 19 19 GLN HB3 H 2.156 0.030 1 127 19 19 GLN HE21 H 7.500 0.030 2 128 19 19 GLN HE22 H 6.856 0.030 2 129 19 19 GLN HG2 H 2.469 0.030 2 130 19 19 GLN HG3 H 2.406 0.030 2 131 19 19 GLN C C 178.488 0.300 1 132 19 19 GLN CA C 59.248 0.300 1 133 19 19 GLN CB C 28.203 0.300 1 134 19 19 GLN CG C 33.773 0.300 1 135 19 19 GLN N N 116.221 0.300 1 136 19 19 GLN NE2 N 111.950 0.300 1 137 20 20 ILE H H 7.246 0.030 1 138 20 20 ILE HA H 3.570 0.030 1 139 20 20 ILE HB H 2.040 0.030 1 140 20 20 ILE HD1 H 0.841 0.030 1 141 20 20 ILE HG12 H 1.127 0.030 2 142 20 20 ILE HG13 H 1.692 0.030 2 143 20 20 ILE HG2 H 0.787 0.030 1 144 20 20 ILE C C 178.999 0.300 1 145 20 20 ILE CA C 64.996 0.300 1 146 20 20 ILE CB C 38.139 0.300 1 147 20 20 ILE CD1 C 14.632 0.300 1 148 20 20 ILE CG1 C 29.683 0.300 1 149 20 20 ILE CG2 C 17.759 0.300 1 150 20 20 ILE N N 120.521 0.300 1 151 21 21 LEU H H 8.034 0.030 1 152 21 21 LEU HA H 3.491 0.030 1 153 21 21 LEU HB2 H -1.248 0.030 2 154 21 21 LEU HB3 H 0.153 0.030 2 155 21 21 LEU HD1 H -1.278 0.030 1 156 21 21 LEU HD2 H 0.266 0.030 1 157 21 21 LEU HG H 1.032 0.030 1 158 21 21 LEU C C 178.196 0.300 1 159 21 21 LEU CA C 57.944 0.300 1 160 21 21 LEU CB C 37.864 0.300 1 161 21 21 LEU CD1 C 23.337 0.300 2 162 21 21 LEU CD2 C 22.441 0.300 2 163 21 21 LEU CG C 25.174 0.300 1 164 21 21 LEU N N 121.259 0.300 1 165 22 22 TYR H H 8.479 0.030 1 166 22 22 TYR HA H 4.224 0.030 1 167 22 22 TYR HB2 H 3.030 0.030 2 168 22 22 TYR HB3 H 3.127 0.030 2 169 22 22 TYR HD1 H 7.186 0.030 1 170 22 22 TYR HD2 H 7.186 0.030 1 171 22 22 TYR HE1 H 6.739 0.030 1 172 22 22 TYR HE2 H 6.739 0.030 1 173 22 22 TYR C C 179.630 0.300 1 174 22 22 TYR CA C 62.422 0.300 1 175 22 22 TYR CB C 37.434 0.300 1 176 22 22 TYR CD1 C 133.019 0.300 1 177 22 22 TYR CD2 C 133.019 0.300 1 178 22 22 TYR CE1 C 117.963 0.300 1 179 22 22 TYR CE2 C 117.963 0.300 1 180 22 22 TYR N N 117.805 0.300 1 181 23 23 GLN H H 7.707 0.030 1 182 23 23 GLN HA H 4.166 0.030 1 183 23 23 GLN HB2 H 2.124 0.030 2 184 23 23 GLN HB3 H 2.192 0.030 2 185 23 23 GLN HE21 H 6.901 0.030 2 186 23 23 GLN HE22 H 7.482 0.030 2 187 23 23 GLN HG2 H 2.421 0.030 2 188 23 23 GLN HG3 H 2.627 0.030 2 189 23 23 GLN C C 178.633 0.300 1 190 23 23 GLN CA C 58.789 0.300 1 191 23 23 GLN CB C 28.534 0.300 1 192 23 23 GLN CG C 34.630 0.300 1 193 23 23 GLN N N 117.580 0.300 1 194 23 23 GLN NE2 N 111.585 0.300 1 195 24 24 ALA H H 8.155 0.030 1 196 24 24 ALA HA H 4.187 0.030 1 197 24 24 ALA HB H 1.761 0.030 1 198 24 24 ALA C C 180.018 0.300 1 199 24 24 ALA CA C 55.228 0.300 1 200 24 24 ALA CB C 19.468 0.300 1 201 24 24 ALA N N 122.813 0.300 1 202 25 25 TYR H H 8.995 0.030 1 203 25 25 TYR HA H 4.348 0.030 1 204 25 25 TYR HB2 H 3.206 0.030 2 205 25 25 TYR HB3 H 3.147 0.030 2 206 25 25 TYR HD1 H 7.232 0.030 1 207 25 25 TYR HD2 H 7.232 0.030 1 208 25 25 TYR HE1 H 6.834 0.030 1 209 25 25 TYR HE2 H 6.834 0.030 1 210 25 25 TYR C C 175.792 0.300 1 211 25 25 TYR CA C 61.681 0.300 1 212 25 25 TYR CB C 38.175 0.300 1 213 25 25 TYR CD1 C 133.560 0.300 1 214 25 25 TYR CD2 C 133.560 0.300 1 215 25 25 TYR CE1 C 117.898 0.300 1 216 25 25 TYR CE2 C 117.898 0.300 1 217 25 25 TYR N N 121.343 0.300 1 218 26 26 ASP H H 7.260 0.030 1 219 26 26 ASP HA H 4.373 0.030 1 220 26 26 ASP HB2 H 2.762 0.030 2 221 26 26 ASP HB3 H 2.701 0.030 2 222 26 26 ASP C C 177.322 0.300 1 223 26 26 ASP CA C 56.603 0.300 1 224 26 26 ASP CB C 41.060 0.300 1 225 26 26 ASP N N 114.020 0.300 1 226 27 27 ARG H H 7.343 0.030 1 227 27 27 ARG HA H 4.302 0.030 1 228 27 27 ARG HB2 H 1.897 0.030 2 229 27 27 ARG HB3 H 1.945 0.030 2 230 27 27 ARG HD2 H 3.222 0.030 2 231 27 27 ARG HD3 H 3.263 0.030 2 232 27 27 ARG HG2 H 1.636 0.030 2 233 27 27 ARG HG3 H 1.766 0.030 2 234 27 27 ARG C C 176.546 0.300 1 235 27 27 ARG CA C 57.563 0.300 1 236 27 27 ARG CB C 31.500 0.300 1 237 27 27 ARG CD C 43.489 0.300 1 238 27 27 ARG CG C 27.517 0.300 1 239 27 27 ARG N N 116.729 0.300 1 240 28 28 GLN H H 8.306 0.030 1 241 28 28 GLN HA H 4.396 0.030 1 242 28 28 GLN HB2 H 1.848 0.030 2 243 28 28 GLN HB3 H 2.056 0.030 2 244 28 28 GLN HE21 H 8.057 0.030 2 245 28 28 GLN HE22 H 6.724 0.030 2 246 28 28 GLN HG2 H 2.554 0.030 2 247 28 28 GLN HG3 H 1.430 0.030 2 248 28 28 GLN C C 172.831 0.300 1 249 28 28 GLN CA C 55.355 0.300 1 250 28 28 GLN CB C 31.062 0.300 1 251 28 28 GLN CG C 33.978 0.300 1 252 28 28 GLN N N 121.612 0.300 1 253 28 28 GLN NE2 N 111.988 0.300 1 254 29 29 LYS H H 8.354 0.030 1 255 29 29 LYS HA H 4.099 0.030 1 256 29 29 LYS HB2 H 1.574 0.030 2 257 29 29 LYS HB3 H 1.519 0.030 2 258 29 29 LYS HD2 H 1.442 0.030 2 259 29 29 LYS HD3 H 1.535 0.030 2 260 29 29 LYS HE2 H 2.872 0.030 1 261 29 29 LYS HE3 H 2.872 0.030 1 262 29 29 LYS HG2 H 1.148 0.030 2 263 29 29 LYS HG3 H 0.543 0.030 2 264 29 29 LYS C C 176.084 0.300 1 265 29 29 LYS CA C 57.873 0.300 1 266 29 29 LYS CB C 33.313 0.300 1 267 29 29 LYS CD C 29.323 0.300 1 268 29 29 LYS CE C 42.417 0.300 1 269 29 29 LYS CG C 25.047 0.300 1 270 29 29 LYS N N 125.038 0.300 1 271 30 30 ASN H H 8.856 0.030 1 272 30 30 ASN HA H 4.958 0.030 1 273 30 30 ASN HB2 H 2.376 0.030 2 274 30 30 ASN HB3 H 2.653 0.030 2 275 30 30 ASN HD21 H 7.733 0.030 2 276 30 30 ASN HD22 H 6.800 0.030 2 277 30 30 ASN C C 171.179 0.300 1 278 30 30 ASN CA C 50.891 0.300 1 279 30 30 ASN CB C 39.907 0.300 1 280 30 30 ASN N N 115.764 0.300 1 281 30 30 ASN ND2 N 113.665 0.300 1 282 31 31 PRO HA H 4.299 0.030 1 283 31 31 PRO HB2 H 1.560 0.030 2 284 31 31 PRO HB3 H 1.686 0.030 2 285 31 31 PRO HD2 H 2.837 0.030 2 286 31 31 PRO HD3 H 3.039 0.030 2 287 31 31 PRO HG2 H 0.990 0.030 2 288 31 31 PRO HG3 H -0.107 0.030 2 289 31 31 PRO C C 177.493 0.300 1 290 31 31 PRO CA C 62.489 0.300 1 291 31 31 PRO CB C 31.216 0.300 1 292 31 31 PRO CD C 51.410 0.300 1 293 31 31 PRO CG C 25.817 0.300 1 294 32 32 SER H H 9.368 0.030 1 295 32 32 SER HA H 4.372 0.030 1 296 32 32 SER HB2 H 4.068 0.030 2 297 32 32 SER HB3 H 4.377 0.030 2 298 32 32 SER C C 174.821 0.300 1 299 32 32 SER CA C 57.203 0.300 1 300 32 32 SER CB C 65.594 0.300 1 301 32 32 SER N N 120.847 0.300 1 302 33 33 LYS H H 9.152 0.030 1 303 33 33 LYS HA H 3.719 0.030 1 304 33 33 LYS HB2 H 1.849 0.030 1 305 33 33 LYS HB3 H 1.849 0.030 1 306 33 33 LYS HD2 H 1.600 0.030 2 307 33 33 LYS HD3 H 1.665 0.030 2 308 33 33 LYS HE2 H 2.910 0.030 1 309 33 33 LYS HE3 H 2.910 0.030 1 310 33 33 LYS HG2 H 1.285 0.030 2 311 33 33 LYS HG3 H 1.369 0.030 2 312 33 33 LYS C C 177.833 0.300 1 313 33 33 LYS CA C 61.188 0.300 1 314 33 33 LYS CB C 32.572 0.300 1 315 33 33 LYS CD C 29.492 0.300 1 316 33 33 LYS CE C 42.170 0.300 1 317 33 33 LYS CG C 24.718 0.300 1 318 33 33 LYS N N 122.966 0.300 1 319 34 34 GLU H H 8.902 0.030 1 320 34 34 GLU HA H 4.089 0.030 1 321 34 34 GLU HB2 H 2.033 0.030 2 322 34 34 GLU HB3 H 1.929 0.030 2 323 34 34 GLU HG2 H 2.283 0.030 2 324 34 34 GLU HG3 H 2.437 0.030 2 325 34 34 GLU C C 180.286 0.300 1 326 34 34 GLU CA C 60.483 0.300 1 327 34 34 GLU CB C 28.835 0.300 1 328 34 34 GLU CG C 37.150 0.300 1 329 34 34 GLU N N 117.645 0.300 1 330 35 35 GLU H H 7.673 0.030 1 331 35 35 GLU HA H 4.023 0.030 1 332 35 35 GLU HB2 H 2.246 0.030 2 333 35 35 GLU HB3 H 1.829 0.030 2 334 35 35 GLU HG2 H 2.313 0.030 2 335 35 35 GLU HG3 H 2.209 0.030 2 336 35 35 GLU C C 180.237 0.300 1 337 35 35 GLU CA C 59.214 0.300 1 338 35 35 GLU CB C 30.099 0.300 1 339 35 35 GLU CG C 37.831 0.300 1 340 35 35 GLU N N 121.077 0.300 1 341 36 36 ARG H H 8.932 0.030 1 342 36 36 ARG HA H 3.928 0.030 1 343 36 36 ARG HB2 H 2.532 0.030 2 344 36 36 ARG HB3 H 1.578 0.030 2 345 36 36 ARG HD2 H 3.064 0.030 2 346 36 36 ARG HD3 H 3.443 0.030 2 347 36 36 ARG HE H 9.494 0.030 1 348 36 36 ARG HG2 H 2.172 0.030 2 349 36 36 ARG HG3 H 0.765 0.030 2 350 36 36 ARG C C 178.464 0.300 1 351 36 36 ARG CA C 60.974 0.300 1 352 36 36 ARG CB C 31.171 0.300 1 353 36 36 ARG CD C 43.719 0.300 1 354 36 36 ARG CG C 29.837 0.300 1 355 36 36 ARG N N 119.441 0.300 1 356 36 36 ARG NE N 96.924 0.300 1 357 37 37 GLU H H 8.756 0.030 1 358 37 37 GLU HA H 3.948 0.030 1 359 37 37 GLU HB2 H 2.043 0.030 2 360 37 37 GLU HB3 H 2.208 0.030 2 361 37 37 GLU HG2 H 2.579 0.030 2 362 37 37 GLU HG3 H 2.253 0.030 2 363 37 37 GLU C C 179.606 0.300 1 364 37 37 GLU CA C 60.094 0.300 1 365 37 37 GLU CB C 29.110 0.300 1 366 37 37 GLU CG C 37.033 0.300 1 367 37 37 GLU N N 119.017 0.300 1 368 38 38 ALA H H 7.733 0.030 1 369 38 38 ALA HA H 4.325 0.030 1 370 38 38 ALA HB H 1.544 0.030 1 371 38 38 ALA C C 180.820 0.300 1 372 38 38 ALA CA C 55.194 0.300 1 373 38 38 ALA CB C 17.654 0.300 1 374 38 38 ALA N N 122.889 0.300 1 375 39 39 LEU H H 7.740 0.030 1 376 39 39 LEU HA H 4.176 0.030 1 377 39 39 LEU HB2 H 1.219 0.030 2 378 39 39 LEU HB3 H 2.252 0.030 2 379 39 39 LEU HD1 H 0.840 0.030 1 380 39 39 LEU HD2 H 0.826 0.030 1 381 39 39 LEU HG H 1.906 0.030 1 382 39 39 LEU C C 179.266 0.300 1 383 39 39 LEU CA C 57.944 0.300 1 384 39 39 LEU CB C 42.105 0.300 1 385 39 39 LEU CD1 C 26.224 0.300 2 386 39 39 LEU CD2 C 23.424 0.300 2 387 39 39 LEU CG C 26.892 0.300 1 388 39 39 LEU N N 119.783 0.300 1 389 40 40 VAL H H 8.451 0.030 1 390 40 40 VAL HA H 3.259 0.030 1 391 40 40 VAL HB H 2.491 0.030 1 392 40 40 VAL HG1 H 0.821 0.030 1 393 40 40 VAL HG2 H 0.981 0.030 1 394 40 40 VAL C C 177.153 0.300 1 395 40 40 VAL CA C 67.254 0.300 1 396 40 40 VAL CB C 31.747 0.300 1 397 40 40 VAL CG1 C 21.808 0.300 2 398 40 40 VAL CG2 C 23.160 0.300 2 399 40 40 VAL N N 121.481 0.300 1 400 41 41 GLU H H 7.254 0.030 1 401 41 41 GLU HA H 4.159 0.030 1 402 41 41 GLU HB2 H 2.187 0.030 1 403 41 41 GLU HB3 H 2.187 0.030 1 404 41 41 GLU HG2 H 2.346 0.030 2 405 41 41 GLU HG3 H 2.433 0.030 2 406 41 41 GLU C C 179.483 0.300 1 407 41 41 GLU CA C 59.248 0.300 1 408 41 41 GLU CB C 29.358 0.300 1 409 41 41 GLU CG C 35.953 0.300 1 410 41 41 GLU N N 116.549 0.300 1 411 42 42 GLU H H 8.103 0.030 1 412 42 42 GLU HA H 4.020 0.030 1 413 42 42 GLU HB2 H 2.198 0.030 1 414 42 42 GLU HB3 H 2.198 0.030 1 415 42 42 GLU HG2 H 2.348 0.030 2 416 42 42 GLU HG3 H 2.463 0.030 2 417 42 42 GLU C C 180.115 0.300 1 418 42 42 GLU CA C 59.847 0.300 1 419 42 42 GLU CB C 30.218 0.300 1 420 42 42 GLU CG C 36.161 0.300 1 421 42 42 GLU N N 119.578 0.300 1 422 43 43 CYS H H 8.955 0.030 1 423 43 43 CYS HA H 4.153 0.030 1 424 43 43 CYS HB2 H 3.081 0.030 2 425 43 43 CYS HB3 H 3.450 0.030 2 426 43 43 CYS C C 176.498 0.300 1 427 43 43 CYS CA C 64.856 0.300 1 428 43 43 CYS CB C 27.390 0.300 1 429 43 43 CYS N N 118.199 0.300 1 430 44 44 ASN H H 8.543 0.030 1 431 44 44 ASN HA H 4.635 0.030 1 432 44 44 ASN HB2 H 2.535 0.030 2 433 44 44 ASN HB3 H 2.821 0.030 2 434 44 44 ASN HD21 H 7.533 0.030 2 435 44 44 ASN HD22 H 7.078 0.030 2 436 44 44 ASN C C 178.633 0.300 1 437 44 44 ASN CA C 56.603 0.300 1 438 44 44 ASN CB C 37.187 0.300 1 439 44 44 ASN N N 117.002 0.300 1 440 44 44 ASN ND2 N 112.555 0.300 1 441 45 45 ARG H H 8.296 0.030 1 442 45 45 ARG HA H 3.977 0.030 1 443 45 45 ARG HB2 H 2.005 0.030 2 444 45 45 ARG HB3 H 1.934 0.030 2 445 45 45 ARG HD2 H 3.259 0.030 1 446 45 45 ARG HD3 H 3.259 0.030 1 447 45 45 ARG HG2 H 1.742 0.030 2 448 45 45 ARG HG3 H 1.598 0.030 2 449 45 45 ARG C C 178.149 0.300 1 450 45 45 ARG CA C 60.589 0.300 1 451 45 45 ARG CB C 30.099 0.300 1 452 45 45 ARG CD C 43.577 0.300 1 453 45 45 ARG CG C 27.928 0.300 1 454 45 45 ARG N N 121.021 0.300 1 455 46 46 ALA H H 7.914 0.030 1 456 46 46 ALA HA H 4.128 0.030 1 457 46 46 ALA HB H 1.516 0.030 1 458 46 46 ALA C C 181.208 0.300 1 459 46 46 ALA CA C 55.264 0.300 1 460 46 46 ALA CB C 18.759 0.300 1 461 46 46 ALA N N 121.570 0.300 1 462 47 47 GLU H H 8.730 0.030 1 463 47 47 GLU HA H 4.194 0.030 1 464 47 47 GLU HB2 H 2.162 0.030 1 465 47 47 GLU HB3 H 2.162 0.030 1 466 47 47 GLU HG2 H 2.775 0.030 2 467 47 47 GLU HG3 H 2.402 0.030 2 468 47 47 GLU C C 180.115 0.300 1 469 47 47 GLU CA C 58.401 0.300 1 470 47 47 GLU CB C 29.523 0.300 1 471 47 47 GLU CG C 34.908 0.300 1 472 47 47 GLU N N 117.532 0.300 1 473 48 48 CYS H H 8.283 0.030 1 474 48 48 CYS HA H 4.002 0.030 1 475 48 48 CYS HB2 H 3.010 0.030 2 476 48 48 CYS HB3 H 3.091 0.030 2 477 48 48 CYS C C 177.031 0.300 1 478 48 48 CYS CA C 64.749 0.300 1 479 48 48 CYS CB C 25.907 0.300 1 480 48 48 CYS N N 118.282 0.300 1 481 49 49 LEU H H 8.181 0.030 1 482 49 49 LEU HA H 4.175 0.030 1 483 49 49 LEU HB2 H 1.635 0.030 2 484 49 49 LEU HB3 H 1.835 0.030 2 485 49 49 LEU HD1 H 0.924 0.030 1 486 49 49 LEU HD2 H 0.908 0.030 1 487 49 49 LEU HG H 1.796 0.030 1 488 49 49 LEU C C 180.430 0.300 1 489 49 49 LEU CA C 57.873 0.300 1 490 49 49 LEU CB C 41.539 0.300 1 491 49 49 LEU CD1 C 24.883 0.300 2 492 49 49 LEU CD2 C 23.422 0.300 2 493 49 49 LEU CG C 27.270 0.300 1 494 49 49 LEU N N 120.371 0.300 1 495 50 50 GLN H H 7.934 0.030 1 496 50 50 GLN HA H 4.102 0.030 1 497 50 50 GLN HB2 H 2.202 0.030 1 498 50 50 GLN HB3 H 2.202 0.030 1 499 50 50 GLN HE21 H 7.586 0.030 2 500 50 50 GLN HE22 H 6.813 0.030 2 501 50 50 GLN HG2 H 2.487 0.030 1 502 50 50 GLN HG3 H 2.487 0.030 1 503 50 50 GLN C C 177.322 0.300 1 504 50 50 GLN CA C 58.156 0.300 1 505 50 50 GLN CB C 28.616 0.300 1 506 50 50 GLN CG C 33.763 0.300 1 507 50 50 GLN N N 118.175 0.300 1 508 50 50 GLN NE2 N 112.397 0.300 1 509 51 51 ARG H H 7.632 0.030 1 510 51 51 ARG HA H 4.347 0.030 1 511 51 51 ARG HB2 H 1.684 0.030 2 512 51 51 ARG HB3 H 2.057 0.030 2 513 51 51 ARG HD2 H 3.013 0.030 2 514 51 51 ARG HD3 H 3.216 0.030 2 515 51 51 ARG HG2 H 1.798 0.030 2 516 51 51 ARG HG3 H 1.734 0.030 2 517 51 51 ARG C C 176.546 0.300 1 518 51 51 ARG CA C 56.286 0.300 1 519 51 51 ARG CB C 31.314 0.300 1 520 51 51 ARG CD C 43.489 0.300 1 521 51 51 ARG CG C 28.093 0.300 1 522 51 51 ARG N N 116.454 0.300 1 523 52 52 GLY H H 7.949 0.030 1 524 52 52 GLY HA2 H 4.033 0.030 2 525 52 52 GLY HA3 H 3.903 0.030 2 526 52 52 GLY C C 174.385 0.300 1 527 52 52 GLY CA C 46.231 0.300 1 528 52 52 GLY N N 108.854 0.300 1 529 53 53 VAL H H 7.944 0.030 1 530 53 53 VAL HA H 4.250 0.030 1 531 53 53 VAL HB H 1.889 0.030 1 532 53 53 VAL HG1 H 0.867 0.030 1 533 53 53 VAL HG2 H 0.802 0.030 1 534 53 53 VAL C C 175.525 0.300 1 535 53 53 VAL CA C 60.377 0.300 1 536 53 53 VAL CB C 34.283 0.300 1 537 53 53 VAL CG1 C 21.412 0.300 2 538 53 53 VAL CG2 C 20.598 0.300 2 539 53 53 VAL N N 118.316 0.300 1 540 54 54 SER H H 8.502 0.030 1 541 54 54 SER HA H 4.625 0.030 1 542 54 54 SER HB2 H 3.745 0.030 2 543 54 54 SER HB3 H 3.976 0.030 2 544 54 54 SER C C 174.603 0.300 1 545 54 54 SER CA C 56.092 0.300 1 546 54 54 SER CB C 63.697 0.300 1 547 54 54 SER N N 120.337 0.300 1 548 55 55 PRO HA H 4.624 0.030 1 549 55 55 PRO HB2 H 2.049 0.030 2 550 55 55 PRO HB3 H 2.306 0.030 2 551 55 55 PRO HD2 H 3.856 0.030 2 552 55 55 PRO HD3 H 3.957 0.030 2 553 55 55 PRO HG2 H 2.139 0.030 2 554 55 55 PRO HG3 H 1.971 0.030 2 555 55 55 PRO C C 177.322 0.300 1 556 55 55 PRO CA C 64.431 0.300 1 557 55 55 PRO CB C 31.913 0.300 1 558 55 55 PRO CD C 50.946 0.300 1 559 55 55 PRO CG C 27.873 0.300 1 560 56 56 SER H H 7.931 0.030 1 561 56 56 SER HA H 4.428 0.030 1 562 56 56 SER HB2 H 3.887 0.030 2 563 56 56 SER HB3 H 3.953 0.030 2 564 56 56 SER C C 174.749 0.300 1 565 56 56 SER CA C 59.130 0.300 1 566 56 56 SER CB C 63.056 0.300 1 567 56 56 SER N N 112.637 0.300 1 568 57 57 LYS H H 8.121 0.030 1 569 57 57 LYS HA H 4.467 0.030 1 570 57 57 LYS HB2 H 1.689 0.030 2 571 57 57 LYS HB3 H 1.871 0.030 2 572 57 57 LYS HD2 H 1.684 0.030 2 573 57 57 LYS HE2 H 2.989 0.030 1 574 57 57 LYS HE3 H 2.989 0.030 1 575 57 57 LYS HG2 H 1.334 0.030 2 576 57 57 LYS HG3 H 1.412 0.030 2 577 57 57 LYS C C 176.570 0.300 1 578 57 57 LYS CA C 55.264 0.300 1 579 57 57 LYS CB C 32.160 0.300 1 580 57 57 LYS CD C 29.245 0.300 1 581 57 57 LYS CE C 42.254 0.300 1 582 57 57 LYS CG C 24.875 0.300 1 583 57 57 LYS N N 123.185 0.300 1 584 58 58 ALA H H 7.886 0.030 1 585 58 58 ALA HA H 3.923 0.030 1 586 58 58 ALA HB H 1.305 0.030 1 587 58 58 ALA C C 177.469 0.300 1 588 58 58 ALA CA C 54.276 0.300 1 589 58 58 ALA CB C 18.271 0.300 1 590 58 58 ALA N N 123.941 0.300 1 591 59 59 HIS H H 8.077 0.030 1 592 59 59 HIS HA H 4.420 0.030 1 593 59 59 HIS HB2 H 3.131 0.030 1 594 59 59 HIS HB3 H 3.131 0.030 1 595 59 59 HIS HD2 H 7.017 0.030 1 596 59 59 HIS HE1 H 7.781 0.030 1 597 59 59 HIS C C 177.542 0.300 1 598 59 59 HIS CA C 57.767 0.300 1 599 59 59 HIS CB C 29.852 0.300 1 600 59 59 HIS CD2 C 119.888 0.300 1 601 59 59 HIS CE1 C 138.637 0.300 1 602 59 59 HIS N N 115.566 0.300 1 603 60 60 GLY H H 8.110 0.030 1 604 60 60 GLY HA2 H 3.873 0.030 2 605 60 60 GLY HA3 H 4.025 0.030 2 606 60 60 GLY C C 174.918 0.300 1 607 60 60 GLY CA C 45.559 0.300 1 608 60 60 GLY N N 109.216 0.300 1 609 61 61 LEU H H 8.280 0.030 1 610 61 61 LEU HA H 4.198 0.030 1 611 61 61 LEU HB2 H 1.261 0.030 2 612 61 61 LEU HB3 H 1.739 0.030 2 613 61 61 LEU HD1 H 0.989 0.030 1 614 61 61 LEU HD2 H 0.785 0.030 1 615 61 61 LEU HG H 1.687 0.030 1 616 61 61 LEU C C 178.900 0.300 1 617 61 61 LEU CA C 55.758 0.300 1 618 61 61 LEU CB C 42.544 0.300 1 619 61 61 LEU CD1 C 26.079 0.300 2 620 61 61 LEU CD2 C 22.898 0.300 2 621 61 61 LEU CG C 27.017 0.300 1 622 61 61 LEU N N 120.521 0.300 1 623 62 62 GLY H H 8.184 0.030 1 624 62 62 GLY HA2 H 3.978 0.030 2 625 62 62 GLY HA3 H 3.817 0.030 2 626 62 62 GLY C C 176.012 0.300 1 627 62 62 GLY CA C 46.767 0.300 1 628 62 62 GLY N N 108.987 0.300 1 629 63 63 SER HA H 4.322 0.030 1 630 63 63 SER HB2 H 3.857 0.030 1 631 63 63 SER HB3 H 3.857 0.030 1 632 63 63 SER C C 174.167 0.300 1 633 63 63 SER CA C 59.919 0.300 1 634 63 63 SER CB C 63.312 0.300 1 635 64 64 ASN H H 8.087 0.030 1 636 64 64 ASN HA H 4.850 0.030 1 637 64 64 ASN HB2 H 2.582 0.030 2 638 64 64 ASN HB3 H 2.917 0.030 2 639 64 64 ASN HD21 H 6.779 0.030 2 640 64 64 ASN HD22 H 7.488 0.030 2 641 64 64 ASN C C 173.899 0.300 1 642 64 64 ASN CA C 53.218 0.300 1 643 64 64 ASN CB C 39.164 0.300 1 644 64 64 ASN N N 118.041 0.300 1 645 64 64 ASN ND2 N 112.354 0.300 1 646 65 65 LEU H H 7.293 0.030 1 647 65 65 LEU HA H 3.995 0.030 1 648 65 65 LEU HB2 H 1.455 0.030 2 649 65 65 LEU HB3 H 1.650 0.030 2 650 65 65 LEU HD1 H 0.855 0.030 1 651 65 65 LEU HD2 H 0.795 0.030 1 652 65 65 LEU HG H 1.453 0.030 1 653 65 65 LEU C C 175.696 0.300 1 654 65 65 LEU CA C 56.005 0.300 1 655 65 65 LEU CB C 43.120 0.300 1 656 65 65 LEU CD1 C 23.953 0.300 2 657 65 65 LEU CD2 C 25.358 0.300 2 658 65 65 LEU CG C 26.233 0.300 1 659 65 65 LEU N N 120.953 0.300 1 660 66 66 VAL H H 9.517 0.030 1 661 66 66 VAL HA H 3.481 0.030 1 662 66 66 VAL HB H 2.123 0.030 1 663 66 66 VAL HG1 H 1.203 0.030 1 664 66 66 VAL HG2 H 1.221 0.030 1 665 66 66 VAL C C 175.429 0.300 1 666 66 66 VAL CA C 65.243 0.300 1 667 66 66 VAL CB C 31.335 0.300 1 668 66 66 VAL CG1 C 24.553 0.300 2 669 66 66 VAL CG2 C 22.817 0.300 2 670 66 66 VAL N N 127.924 0.300 1 671 67 67 THR H H 6.253 0.030 1 672 67 67 THR HA H 4.779 0.030 1 673 67 67 THR HB H 4.597 0.030 1 674 67 67 THR HG2 H 1.080 0.030 1 675 67 67 THR C C 174.894 0.300 1 676 67 67 THR CA C 58.719 0.300 1 677 67 67 THR CB C 72.153 0.300 1 678 67 67 THR CG2 C 21.425 0.300 1 679 67 67 THR N N 113.376 0.300 1 680 68 68 GLU H H 9.348 0.030 1 681 68 68 GLU HA H 3.634 0.030 1 682 68 68 GLU HB2 H 2.131 0.030 2 683 68 68 GLU HB3 H 2.318 0.030 2 684 68 68 GLU HG2 H 2.143 0.030 2 685 68 68 GLU HG3 H 2.486 0.030 2 686 68 68 GLU C C 177.809 0.300 1 687 68 68 GLU CA C 61.505 0.300 1 688 68 68 GLU CB C 28.285 0.300 1 689 68 68 GLU CG C 36.572 0.300 1 690 68 68 GLU N N 124.534 0.300 1 691 69 69 VAL H H 8.126 0.030 1 692 69 69 VAL HA H 3.862 0.030 1 693 69 69 VAL HB H 1.955 0.030 1 694 69 69 VAL HG1 H 0.924 0.030 1 695 69 69 VAL HG2 H 1.031 0.030 1 696 69 69 VAL C C 177.712 0.300 1 697 69 69 VAL CA C 65.701 0.300 1 698 69 69 VAL CB C 31.829 0.300 1 699 69 69 VAL CG1 C 20.776 0.300 2 700 69 69 VAL CG2 C 22.552 0.300 2 701 69 69 VAL N N 119.139 0.300 1 702 70 70 ARG H H 7.235 0.030 1 703 70 70 ARG HA H 4.265 0.030 1 704 70 70 ARG HB2 H 1.622 0.030 2 705 70 70 ARG HB3 H 1.796 0.030 2 706 70 70 ARG HD2 H 2.177 0.030 2 707 70 70 ARG HD3 H 1.632 0.030 2 708 70 70 ARG HG2 H 1.379 0.030 2 709 70 70 ARG HG3 H 1.293 0.030 2 710 70 70 ARG C C 180.430 0.300 1 711 70 70 ARG CA C 59.742 0.300 1 712 70 70 ARG CB C 29.439 0.300 1 713 70 70 ARG CD C 42.246 0.300 1 714 70 70 ARG CG C 27.893 0.300 1 715 70 70 ARG N N 119.541 0.300 1 716 71 71 VAL H H 8.144 0.030 1 717 71 71 VAL HA H 4.018 0.030 1 718 71 71 VAL HB H 2.414 0.030 1 719 71 71 VAL HG1 H 1.209 0.030 1 720 71 71 VAL HG2 H 1.210 0.030 1 721 71 71 VAL C C 177.493 0.300 1 722 71 71 VAL CA C 67.924 0.300 1 723 71 71 VAL CB C 32.289 0.300 1 724 71 71 VAL CG1 C 22.555 0.300 2 725 71 71 VAL CG2 C 24.553 0.300 2 726 71 71 VAL N N 120.755 0.300 1 727 72 72 TYR H H 9.411 0.030 1 728 72 72 TYR HA H 3.908 0.030 1 729 72 72 TYR HB2 H 3.099 0.030 2 730 72 72 TYR HB3 H 3.439 0.030 2 731 72 72 TYR HD1 H 7.030 0.030 1 732 72 72 TYR HD2 H 7.030 0.030 1 733 72 72 TYR HE1 H 6.883 0.030 1 734 72 72 TYR HE2 H 6.883 0.030 1 735 72 72 TYR C C 178.464 0.300 1 736 72 72 TYR CA C 63.444 0.300 1 737 72 72 TYR CB C 38.211 0.300 1 738 72 72 TYR CD1 C 133.137 0.300 1 739 72 72 TYR CD2 C 133.137 0.300 1 740 72 72 TYR CE1 C 118.501 0.300 1 741 72 72 TYR CE2 C 118.501 0.300 1 742 72 72 TYR N N 121.175 0.300 1 743 73 73 ASN H H 8.816 0.030 1 744 73 73 ASN HA H 4.538 0.030 1 745 73 73 ASN HB2 H 2.985 0.030 2 746 73 73 ASN HB3 H 3.178 0.030 2 747 73 73 ASN HD21 H 7.790 0.030 2 748 73 73 ASN HD22 H 7.080 0.030 2 749 73 73 ASN C C 176.958 0.300 1 750 73 73 ASN CA C 56.109 0.300 1 751 73 73 ASN CB C 38.422 0.300 1 752 73 73 ASN N N 118.122 0.300 1 753 73 73 ASN ND2 N 112.531 0.300 1 754 74 74 TRP H H 8.657 0.030 1 755 74 74 TRP HA H 4.111 0.030 1 756 74 74 TRP HB2 H 3.510 0.030 2 757 74 74 TRP HB3 H 3.434 0.030 2 758 74 74 TRP HD1 H 6.284 0.030 1 759 74 74 TRP HE1 H 9.661 0.030 1 760 74 74 TRP HE3 H 6.346 0.030 1 761 74 74 TRP HH2 H 5.879 0.030 1 762 74 74 TRP HZ2 H 6.156 0.030 1 763 74 74 TRP HZ3 H 5.570 0.030 1 764 74 74 TRP C C 179.654 0.300 1 765 74 74 TRP CA C 62.950 0.300 1 766 74 74 TRP CB C 29.555 0.300 1 767 74 74 TRP CD1 C 126.823 0.300 1 768 74 74 TRP CE3 C 120.843 0.300 1 769 74 74 TRP CH2 C 122.861 0.300 1 770 74 74 TRP CZ2 C 113.615 0.300 1 771 74 74 TRP CZ3 C 120.915 0.300 1 772 74 74 TRP N N 123.988 0.300 1 773 74 74 TRP NE1 N 128.629 0.300 1 774 75 75 PHE H H 8.562 0.030 1 775 75 75 PHE HA H 3.821 0.030 1 776 75 75 PHE HB2 H 3.293 0.030 2 777 75 75 PHE HB3 H 3.144 0.030 2 778 75 75 PHE HD1 H 7.920 0.030 1 779 75 75 PHE HD2 H 7.920 0.030 1 780 75 75 PHE HE1 H 7.518 0.030 1 781 75 75 PHE HE2 H 7.518 0.030 1 782 75 75 PHE HZ H 7.270 0.030 1 783 75 75 PHE C C 177.614 0.300 1 784 75 75 PHE CA C 63.374 0.300 1 785 75 75 PHE CB C 39.648 0.300 1 786 75 75 PHE CD1 C 132.351 0.300 1 787 75 75 PHE CD2 C 132.351 0.300 1 788 75 75 PHE CE1 C 132.112 0.300 1 789 75 75 PHE CE2 C 132.112 0.300 1 790 75 75 PHE CZ C 130.194 0.300 1 791 75 75 PHE N N 118.325 0.300 1 792 76 76 ALA H H 8.305 0.030 1 793 76 76 ALA HA H 3.909 0.030 1 794 76 76 ALA HB H 1.324 0.030 1 795 76 76 ALA C C 180.868 0.300 1 796 76 76 ALA CA C 55.566 0.300 1 797 76 76 ALA CB C 17.820 0.300 1 798 76 76 ALA N N 121.119 0.300 1 799 77 77 ASN H H 8.335 0.030 1 800 77 77 ASN HA H 4.355 0.030 1 801 77 77 ASN HB2 H 2.578 0.030 2 802 77 77 ASN HB3 H 2.711 0.030 2 803 77 77 ASN HD21 H 7.518 0.030 2 804 77 77 ASN HD22 H 6.938 0.030 2 805 77 77 ASN C C 177.105 0.300 1 806 77 77 ASN CA C 56.145 0.300 1 807 77 77 ASN CB C 38.063 0.300 1 808 77 77 ASN N N 117.433 0.300 1 809 77 77 ASN ND2 N 113.505 0.300 1 810 78 78 ARG H H 7.664 0.030 1 811 78 78 ARG HA H 3.629 0.030 1 812 78 78 ARG HB2 H 0.982 0.030 2 813 78 78 ARG HB3 H 0.645 0.030 2 814 78 78 ARG HD2 H 1.698 0.030 2 815 78 78 ARG HD3 H 1.948 0.030 2 816 78 78 ARG HG2 H 0.148 0.030 1 817 78 78 ARG HG3 H 0.148 0.030 1 818 78 78 ARG C C 179.216 0.300 1 819 78 78 ARG CA C 58.773 0.300 1 820 78 78 ARG CB C 29.605 0.300 1 821 78 78 ARG CD C 42.748 0.300 1 822 78 78 ARG CG C 25.014 0.300 1 823 78 78 ARG N N 121.999 0.300 1 824 79 79 ARG H H 8.320 0.030 1 825 79 79 ARG HA H 4.307 0.030 1 826 79 79 ARG HB2 H 1.787 0.030 2 827 79 79 ARG HB3 H 2.098 0.030 2 828 79 79 ARG HD2 H 3.159 0.030 2 829 79 79 ARG HD3 H 3.442 0.030 2 830 79 79 ARG HG2 H 1.790 0.030 2 831 79 79 ARG HG3 H 2.452 0.030 2 832 79 79 ARG C C 180.406 0.300 1 833 79 79 ARG CA C 60.270 0.300 1 834 79 79 ARG CB C 31.335 0.300 1 835 79 79 ARG CD C 43.900 0.300 1 836 79 79 ARG CG C 28.834 0.300 1 837 79 79 ARG N N 118.139 0.300 1 838 80 80 LYS H H 7.759 0.030 1 839 80 80 LYS HA H 4.052 0.030 1 840 80 80 LYS HB2 H 1.948 0.030 1 841 80 80 LYS HB3 H 1.948 0.030 1 842 80 80 LYS HD2 H 1.686 0.030 2 843 80 80 LYS HD3 H 1.563 0.030 2 844 80 80 LYS HE2 H 2.948 0.030 2 845 80 80 LYS HG2 H 1.376 0.030 2 846 80 80 LYS HG3 H 1.570 0.030 2 847 80 80 LYS C C 178.999 0.300 1 848 80 80 LYS CA C 59.531 0.300 1 849 80 80 LYS CB C 32.374 0.300 1 850 80 80 LYS CD C 29.657 0.300 1 851 80 80 LYS CE C 42.089 0.300 1 852 80 80 LYS CG C 25.047 0.300 1 853 80 80 LYS N N 120.899 0.300 1 854 81 81 GLU H H 8.041 0.030 1 855 81 81 GLU HA H 4.044 0.030 1 856 81 81 GLU HB2 H 1.975 0.030 2 857 81 81 GLU HB3 H 2.097 0.030 2 858 81 81 GLU HG2 H 2.365 0.030 2 859 81 81 GLU HG3 H 2.202 0.030 2 860 81 81 GLU C C 179.168 0.300 1 861 81 81 GLU CA C 59.036 0.300 1 862 81 81 GLU CB C 29.561 0.300 1 863 81 81 GLU CG C 36.243 0.300 1 864 81 81 GLU N N 120.193 0.300 1 865 82 82 GLU H H 8.131 0.030 1 866 82 82 GLU HA H 4.017 0.030 1 867 82 82 GLU HB2 H 2.126 0.030 2 868 82 82 GLU HB3 H 2.163 0.030 2 869 82 82 GLU HG2 H 2.431 0.030 2 870 82 82 GLU HG3 H 2.244 0.030 2 871 82 82 GLU C C 178.343 0.300 1 872 82 82 GLU CA C 59.319 0.300 1 873 82 82 GLU CB C 29.770 0.300 1 874 82 82 GLU CG C 36.903 0.300 1 875 82 82 GLU N N 119.626 0.300 1 876 83 83 ALA H H 7.935 0.030 1 877 83 83 ALA HA H 4.180 0.030 1 878 83 83 ALA HB H 1.474 0.030 1 879 83 83 ALA C C 179.994 0.300 1 880 83 83 ALA CA C 54.629 0.300 1 881 83 83 ALA CB C 18.090 0.300 1 882 83 83 ALA N N 121.476 0.300 1 883 84 84 PHE H H 8.043 0.030 1 884 84 84 PHE HA H 4.420 0.030 1 885 84 84 PHE HB2 H 3.220 0.030 1 886 84 84 PHE HB3 H 3.220 0.030 1 887 84 84 PHE HD1 H 7.273 0.030 1 888 84 84 PHE HD2 H 7.273 0.030 1 889 84 84 PHE HE1 H 7.333 0.030 1 890 84 84 PHE HE2 H 7.333 0.030 1 891 84 84 PHE HZ H 7.290 0.030 1 892 84 84 PHE C C 177.250 0.300 1 893 84 84 PHE CA C 60.059 0.300 1 894 84 84 PHE CB C 38.952 0.300 1 895 84 84 PHE CD1 C 131.727 0.300 1 896 84 84 PHE CD2 C 131.727 0.300 1 897 84 84 PHE CE1 C 131.476 0.300 1 898 84 84 PHE CE2 C 131.476 0.300 1 899 84 84 PHE CZ C 129.911 0.300 1 900 84 84 PHE N N 119.074 0.300 1 901 85 85 ARG H H 8.031 0.030 1 902 85 85 ARG HA H 3.992 0.030 1 903 85 85 ARG HB2 H 1.921 0.030 1 904 85 85 ARG HB3 H 1.921 0.030 1 905 85 85 ARG HD2 H 3.209 0.030 2 906 85 85 ARG HG2 H 1.651 0.030 2 907 85 85 ARG HG3 H 1.825 0.030 2 908 85 85 ARG C C 178.319 0.300 1 909 85 85 ARG CA C 58.523 0.300 1 910 85 85 ARG CB C 30.346 0.300 1 911 85 85 ARG CD C 43.324 0.300 1 912 85 85 ARG CG C 27.765 0.300 1 913 85 85 ARG N N 119.291 0.300 1 914 86 86 GLN H H 8.091 0.030 1 915 86 86 GLN HA H 4.148 0.030 1 916 86 86 GLN HB2 H 2.116 0.030 1 917 86 86 GLN HB3 H 2.116 0.030 1 918 86 86 GLN HE21 H 6.846 0.030 2 919 86 86 GLN HE22 H 7.475 0.030 2 920 86 86 GLN HG2 H 2.398 0.030 2 921 86 86 GLN HG3 H 2.489 0.030 2 922 86 86 GLN C C 177.105 0.300 1 923 86 86 GLN CA C 57.556 0.300 1 924 86 86 GLN CB C 28.855 0.300 1 925 86 86 GLN CG C 33.934 0.300 1 926 86 86 GLN N N 119.097 0.300 1 927 86 86 GLN NE2 N 111.770 0.300 1 928 87 87 LYS H H 7.898 0.030 1 929 87 87 LYS HA H 4.116 0.030 1 930 87 87 LYS HB2 H 1.828 0.030 2 931 87 87 LYS HB3 H 1.880 0.030 2 932 87 87 LYS HD2 H 1.649 0.030 1 933 87 87 LYS HD3 H 1.649 0.030 1 934 87 87 LYS HE2 H 2.965 0.030 2 935 87 87 LYS HG2 H 1.377 0.030 2 936 87 87 LYS HG3 H 1.459 0.030 2 937 87 87 LYS C C 177.542 0.300 1 938 87 87 LYS CA C 57.944 0.300 1 939 87 87 LYS CB C 32.242 0.300 1 940 87 87 LYS CD C 29.081 0.300 1 941 87 87 LYS CE C 42.170 0.300 1 942 87 87 LYS CG C 24.883 0.300 1 943 87 87 LYS N N 120.968 0.300 1 944 88 88 LEU H H 7.903 0.030 1 945 88 88 LEU HA H 4.144 0.030 1 946 88 88 LEU HB2 H 1.595 0.030 2 947 88 88 LEU HB3 H 1.490 0.030 2 948 88 88 LEU HD1 H 0.783 0.030 1 949 88 88 LEU HD2 H 0.793 0.030 1 950 88 88 LEU HG H 1.499 0.030 1 951 88 88 LEU C C 178.221 0.300 1 952 88 88 LEU CA C 56.145 0.300 1 953 88 88 LEU CB C 42.215 0.300 1 954 88 88 LEU CD1 C 23.264 0.300 2 955 88 88 LEU CD2 C 25.107 0.300 2 956 88 88 LEU CG C 26.838 0.300 1 957 88 88 LEU N N 120.558 0.300 1 958 89 89 ALA H H 7.894 0.030 1 959 89 89 ALA HA H 4.224 0.030 1 960 89 89 ALA HB H 1.418 0.030 1 961 89 89 ALA C C 178.609 0.300 1 962 89 89 ALA CA C 53.392 0.300 1 963 89 89 ALA CB C 18.695 0.300 1 964 89 89 ALA N N 122.387 0.300 1 965 90 90 MET H H 8.084 0.030 1 966 90 90 MET HA H 4.356 0.030 1 967 90 90 MET HB2 H 2.125 0.030 2 968 90 90 MET HB3 H 2.061 0.030 2 969 90 90 MET HE H 2.073 0.030 1 970 90 90 MET HG2 H 2.653 0.030 2 971 90 90 MET HG3 H 2.565 0.030 2 972 90 90 MET C C 176.982 0.300 1 973 90 90 MET CA C 56.551 0.300 1 974 90 90 MET CB C 32.719 0.300 1 975 90 90 MET CE C 16.939 0.300 1 976 90 90 MET CG C 32.056 0.300 1 977 90 90 MET N N 118.509 0.300 1 978 91 91 ASP H H 8.261 0.030 1 979 91 91 ASP HA H 4.524 0.030 1 980 91 91 ASP HB2 H 2.659 0.030 1 981 91 91 ASP HB3 H 2.659 0.030 1 982 91 91 ASP C C 176.643 0.300 1 983 91 91 ASP CA C 54.981 0.300 1 984 91 91 ASP CB C 40.870 0.300 1 985 91 91 ASP N N 120.771 0.300 1 986 92 92 ALA H H 7.971 0.030 1 987 92 92 ALA HA H 4.200 0.030 1 988 92 92 ALA HB H 1.278 0.030 1 989 92 92 ALA C C 177.929 0.300 1 990 92 92 ALA CA C 53.184 0.300 1 991 92 92 ALA CB C 18.890 0.300 1 992 92 92 ALA N N 123.057 0.300 1 993 93 93 TYR H H 8.019 0.030 1 994 93 93 TYR HA H 4.523 0.030 1 995 93 93 TYR HB2 H 3.114 0.030 2 996 93 93 TYR HB3 H 2.998 0.030 2 997 93 93 TYR HD1 H 7.131 0.030 1 998 93 93 TYR HD2 H 7.131 0.030 1 999 93 93 TYR HE1 H 6.816 0.030 1 1000 93 93 TYR HE2 H 6.816 0.030 1 1001 93 93 TYR C C 176.279 0.300 1 1002 93 93 TYR CA C 58.401 0.300 1 1003 93 93 TYR CB C 38.669 0.300 1 1004 93 93 TYR CD1 C 133.191 0.300 1 1005 93 93 TYR CD2 C 133.191 0.300 1 1006 93 93 TYR CE1 C 118.186 0.300 1 1007 93 93 TYR CE2 C 118.186 0.300 1 1008 93 93 TYR N N 118.337 0.300 1 1009 94 94 SER H H 8.037 0.030 1 1010 94 94 SER HA H 4.484 0.030 1 1011 94 94 SER HB2 H 3.887 0.030 2 1012 94 94 SER C C 174.554 0.300 1 1013 94 94 SER CA C 58.401 0.300 1 1014 94 94 SER CB C 63.806 0.300 1 1015 94 94 SER N N 116.640 0.300 1 1016 96 96 ASN HA H 4.770 0.030 1 1017 96 96 ASN HB2 H 2.751 0.030 2 1018 96 96 ASN HB3 H 2.846 0.030 2 1019 96 96 ASN HD21 H 7.591 0.030 2 1020 96 96 ASN HD22 H 6.900 0.030 2 1021 96 96 ASN C C 175.161 0.300 1 1022 96 96 ASN CA C 53.395 0.300 1 1023 96 96 ASN CB C 38.999 0.300 1 1024 96 96 ASN ND2 N 112.981 0.300 1 1025 97 97 SER H H 8.230 0.030 1 1026 97 97 SER HA H 4.481 0.030 1 1027 97 97 SER HB2 H 3.852 0.030 1 1028 97 97 SER HB3 H 3.852 0.030 1 1029 97 97 SER C C 174.482 0.300 1 1030 97 97 SER CA C 58.300 0.300 1 1031 97 97 SER CB C 63.697 0.300 1 1032 97 97 SER N N 115.866 0.300 1 1033 98 98 GLY H H 8.228 0.030 1 1034 98 98 GLY HA2 H 4.098 0.030 1 1035 98 98 GLY HA3 H 4.098 0.030 1 1036 98 98 GLY C C 171.788 0.300 1 1037 98 98 GLY CA C 44.803 0.300 1 1038 98 98 GLY N N 110.658 0.300 1 1039 99 99 PRO HA H 4.463 0.030 1 1040 99 99 PRO HB2 H 2.279 0.030 2 1041 99 99 PRO HB3 H 1.956 0.030 2 1042 99 99 PRO HD2 H 3.603 0.030 1 1043 99 99 PRO HD3 H 3.603 0.030 1 1044 99 99 PRO HG2 H 1.987 0.030 1 1045 99 99 PRO HG3 H 1.987 0.030 1 1046 99 99 PRO CA C 63.230 0.300 1 1047 99 99 PRO CB C 32.044 0.300 1 1048 99 99 PRO CD C 49.712 0.300 1 1049 99 99 PRO CG C 27.215 0.300 1 1050 100 100 SER H H 8.514 0.030 1 1051 100 100 SER CA C 58.450 0.300 1 1052 100 100 SER CB C 63.889 0.300 1 1053 100 100 SER N N 116.424 0.300 1 stop_ save_