data_10299 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the fn3 domain of human Tripartite motif protein 9 ; _BMRB_accession_number 10299 _BMRB_flat_file_name bmr10299.str _Entry_type new _Submission_date 2008-12-24 _Accession_date 2008-12-24 _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 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 570 "13C chemical shifts" 414 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-01-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of the fn3 domain of human Tripartite motif protein 9' _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 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'Tripartite motif protein 9, isoform 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fibronectin type III 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 'Fibronectin type III domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; GSSGSSGPVPATPILQLEEC CTHNNSATLSWKQPPLSTVP ADGYILELDDGNGGQFREVY VGKETMCTVDGLHFNSTYNA RVKAFNKTGVSPYSKTLVLQ TSEGSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 VAL 10 PRO 11 ALA 12 THR 13 PRO 14 ILE 15 LEU 16 GLN 17 LEU 18 GLU 19 GLU 20 CYS 21 CYS 22 THR 23 HIS 24 ASN 25 ASN 26 SER 27 ALA 28 THR 29 LEU 30 SER 31 TRP 32 LYS 33 GLN 34 PRO 35 PRO 36 LEU 37 SER 38 THR 39 VAL 40 PRO 41 ALA 42 ASP 43 GLY 44 TYR 45 ILE 46 LEU 47 GLU 48 LEU 49 ASP 50 ASP 51 GLY 52 ASN 53 GLY 54 GLY 55 GLN 56 PHE 57 ARG 58 GLU 59 VAL 60 TYR 61 VAL 62 GLY 63 LYS 64 GLU 65 THR 66 MET 67 CYS 68 THR 69 VAL 70 ASP 71 GLY 72 LEU 73 HIS 74 PHE 75 ASN 76 SER 77 THR 78 TYR 79 ASN 80 ALA 81 ARG 82 VAL 83 LYS 84 ALA 85 PHE 86 ASN 87 LYS 88 THR 89 GLY 90 VAL 91 SER 92 PRO 93 TYR 94 SER 95 LYS 96 THR 97 LEU 98 VAL 99 LEU 100 GLN 101 THR 102 SER 103 GLU 104 GLY 105 SER 106 GLY 107 PRO 108 SER 109 SER 110 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2DB8 "Solution Structures Of The Fn3 Domain Of Human Tripartite Motif Protein 9" 100.00 110 100.00 100.00 9.95e-74 DBJ BAA13398 "KIAA0282 [Homo sapiens]" 90.00 711 97.98 98.99 1.47e-59 DBJ BAB70913 "unnamed protein product [Homo sapiens]" 88.18 802 97.94 98.97 5.03e-58 DBJ BAG09692 "tripartite motif-containing protein 9 [synthetic construct]" 90.00 664 97.98 98.99 5.61e-60 GB AAG53490 "tripartite motif protein TRIM9 isoform alpha [Homo sapiens]" 90.00 664 97.98 98.99 5.61e-60 GB AAG53491 "tripartite motif protein TRIM9 isoform beta [Homo sapiens]" 90.00 710 97.98 98.99 9.80e-60 GB AAG53492 "tripartite motif protein TRIM9 isoform gamma [Homo sapiens]" 90.00 664 97.98 98.99 5.06e-60 GB AAH63872 "Tripartite motif-containing 9 [Homo sapiens]" 90.00 710 97.98 98.99 1.06e-59 GB EAW65681 "tripartite motif-containing 9, isoform CRA_b [Homo sapiens]" 90.00 710 97.98 98.99 9.80e-60 REF NP_055978 "E3 ubiquitin-protein ligase TRIM9 isoform 1 [Homo sapiens]" 90.00 710 97.98 98.99 9.80e-60 REF XP_001102351 "PREDICTED: tripartite motif-containing protein 9 isoform 1 [Macaca mulatta]" 88.18 802 97.94 98.97 4.93e-58 REF XP_001156684 "PREDICTED: E3 ubiquitin-protein ligase TRIM9 isoform X6 [Pan troglodytes]" 90.00 710 97.98 98.99 1.04e-59 REF XP_002824781 "PREDICTED: E3 ubiquitin-protein ligase TRIM9 [Pongo abelii]" 90.00 807 97.98 98.99 4.39e-59 REF XP_003267727 "PREDICTED: E3 ubiquitin-protein ligase TRIM9 isoform X2 [Nomascus leucogenys]" 90.00 710 97.98 98.99 9.23e-60 SP Q9C026 "RecName: Full=E3 ubiquitin-protein ligase TRIM9; AltName: Full=RING finger protein 91; AltName: Full=Tripartite motif-containin" 90.00 710 97.98 98.99 9.80e-60 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 P040921-16 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 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 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 'Fibronectin type III 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 4 4 GLY HA2 H 4.218 0.030 2 2 4 4 GLY HA3 H 4.038 0.030 2 3 4 4 GLY CA C 45.845 0.300 1 4 5 5 SER H H 8.121 0.030 1 5 5 5 SER N N 115.440 0.300 1 6 6 6 SER HA H 4.544 0.030 1 7 6 6 SER HB2 H 3.870 0.030 2 8 6 6 SER CA C 58.373 0.300 1 9 6 6 SER CB C 63.977 0.300 1 10 7 7 GLY H H 8.141 0.030 1 11 7 7 GLY HA2 H 4.120 0.030 2 12 7 7 GLY HA3 H 4.067 0.030 2 13 7 7 GLY CA C 44.661 0.300 1 14 7 7 GLY N N 110.436 0.300 1 15 8 8 PRO HA H 4.622 0.030 1 16 8 8 PRO HB2 H 2.194 0.030 2 17 8 8 PRO HB3 H 2.006 0.030 2 18 8 8 PRO HD2 H 3.580 0.030 2 19 8 8 PRO HD3 H 3.528 0.030 2 20 8 8 PRO HG2 H 1.978 0.030 2 21 8 8 PRO HG3 H 1.917 0.030 2 22 8 8 PRO C C 176.749 0.300 1 23 8 8 PRO CA C 62.721 0.300 1 24 8 8 PRO CB C 32.411 0.300 1 25 8 8 PRO CD C 49.648 0.300 1 26 8 8 PRO CG C 27.205 0.300 1 27 9 9 VAL H H 7.887 0.030 1 28 9 9 VAL HA H 4.371 0.030 1 29 9 9 VAL HB H 1.792 0.030 1 30 9 9 VAL HG1 H 0.775 0.030 1 31 9 9 VAL HG2 H 0.792 0.030 1 32 9 9 VAL C C 172.354 0.300 1 33 9 9 VAL CA C 59.551 0.300 1 34 9 9 VAL CB C 31.119 0.300 1 35 9 9 VAL CG1 C 21.286 0.300 2 36 9 9 VAL CG2 C 18.306 0.300 2 37 9 9 VAL N N 115.744 0.300 1 38 10 10 PRO HA H 4.083 0.030 1 39 10 10 PRO HB2 H 1.987 0.030 2 40 10 10 PRO HB3 H 1.628 0.030 2 41 10 10 PRO HD2 H 3.509 0.030 2 42 10 10 PRO HD3 H 3.051 0.030 2 43 10 10 PRO HG2 H 1.644 0.030 2 44 10 10 PRO HG3 H 1.376 0.030 2 45 10 10 PRO C C 174.732 0.300 1 46 10 10 PRO CA C 61.951 0.300 1 47 10 10 PRO CB C 31.504 0.300 1 48 10 10 PRO CD C 50.113 0.300 1 49 10 10 PRO CG C 27.893 0.300 1 50 11 11 ALA H H 7.966 0.030 1 51 11 11 ALA HA H 4.235 0.030 1 52 11 11 ALA HB H 1.389 0.030 1 53 11 11 ALA C C 176.322 0.300 1 54 11 11 ALA CA C 51.126 0.300 1 55 11 11 ALA CB C 19.801 0.300 1 56 11 11 ALA N N 120.254 0.300 1 57 12 12 THR H H 8.002 0.030 1 58 12 12 THR HA H 4.173 0.030 1 59 12 12 THR HB H 3.962 0.030 1 60 12 12 THR HG2 H 1.255 0.030 1 61 12 12 THR C C 172.839 0.300 1 62 12 12 THR CA C 62.031 0.300 1 63 12 12 THR CB C 70.050 0.300 1 64 12 12 THR CG2 C 21.349 0.300 1 65 12 12 THR N N 117.345 0.300 1 66 13 13 PRO HA H 4.678 0.030 1 67 13 13 PRO HB2 H 2.433 0.030 2 68 13 13 PRO HB3 H 1.585 0.030 2 69 13 13 PRO HD2 H 4.573 0.030 2 70 13 13 PRO HD3 H 3.612 0.030 2 71 13 13 PRO HG2 H 2.195 0.030 2 72 13 13 PRO HG3 H 1.724 0.030 2 73 13 13 PRO C C 175.025 0.300 1 74 13 13 PRO CA C 62.251 0.300 1 75 13 13 PRO CB C 33.388 0.300 1 76 13 13 PRO CD C 51.150 0.300 1 77 13 13 PRO CG C 28.455 0.300 1 78 14 14 ILE H H 8.772 0.030 1 79 14 14 ILE HA H 4.159 0.030 1 80 14 14 ILE HB H 1.669 0.030 1 81 14 14 ILE HD1 H 0.873 0.030 1 82 14 14 ILE HG12 H 1.551 0.030 2 83 14 14 ILE HG13 H 1.139 0.030 2 84 14 14 ILE HG2 H 0.904 0.030 1 85 14 14 ILE CA C 60.674 0.300 1 86 14 14 ILE CB C 39.607 0.300 1 87 14 14 ILE CD1 C 13.721 0.300 1 88 14 14 ILE CG1 C 27.628 0.300 1 89 14 14 ILE CG2 C 17.759 0.300 1 90 14 14 ILE N N 119.370 0.300 1 91 15 15 LEU H H 8.773 0.030 1 92 15 15 LEU HA H 4.269 0.030 1 93 15 15 LEU HB2 H 1.871 0.030 1 94 15 15 LEU HB3 H 1.871 0.030 1 95 15 15 LEU HD1 H 0.836 0.030 1 96 15 15 LEU HD2 H 0.933 0.030 1 97 15 15 LEU HG H 1.607 0.030 1 98 15 15 LEU CA C 55.207 0.300 1 99 15 15 LEU CB C 39.664 0.300 1 100 15 15 LEU CD1 C 26.850 0.300 2 101 15 15 LEU CD2 C 25.784 0.300 2 102 15 15 LEU CG C 27.287 0.300 1 103 15 15 LEU N N 130.484 0.300 1 104 16 16 GLN H H 7.393 0.030 1 105 16 16 GLN HA H 4.720 0.030 1 106 16 16 GLN HB2 H 1.991 0.030 2 107 16 16 GLN HG2 H 2.160 0.030 2 108 16 16 GLN HG3 H 2.007 0.030 2 109 16 16 GLN CA C 54.409 0.300 1 110 16 16 GLN CB C 32.162 0.300 1 111 16 16 GLN CG C 33.541 0.300 1 112 16 16 GLN N N 112.379 0.300 1 113 17 17 LEU H H 8.564 0.030 1 114 17 17 LEU HA H 4.775 0.030 1 115 17 17 LEU HB2 H 1.882 0.030 2 116 17 17 LEU HB3 H 1.423 0.030 2 117 17 17 LEU HD1 H 0.937 0.030 1 118 17 17 LEU HD2 H 0.928 0.030 1 119 17 17 LEU HG H 1.444 0.030 1 120 17 17 LEU CA C 53.611 0.300 1 121 17 17 LEU CB C 43.628 0.300 1 122 17 17 LEU CD1 C 25.780 0.300 2 123 17 17 LEU CD2 C 24.382 0.300 2 124 17 17 LEU CG C 27.198 0.300 1 125 17 17 LEU N N 123.265 0.300 1 126 18 18 GLU H H 8.851 0.030 1 127 18 18 GLU HA H 4.341 0.030 1 128 18 18 GLU HB2 H 2.028 0.030 2 129 18 18 GLU HB3 H 1.602 0.030 2 130 18 18 GLU HG2 H 2.085 0.030 2 131 18 18 GLU HG3 H 2.057 0.030 2 132 18 18 GLU CA C 56.889 0.300 1 133 18 18 GLU CB C 29.444 0.300 1 134 18 18 GLU CG C 34.985 0.300 1 135 19 19 GLU H H 7.832 0.030 1 136 19 19 GLU HA H 4.357 0.030 1 137 19 19 GLU HB2 H 2.094 0.030 2 138 19 19 GLU HB3 H 1.948 0.030 2 139 19 19 GLU HG2 H 2.160 0.030 1 140 19 19 GLU HG3 H 2.160 0.030 1 141 19 19 GLU CA C 56.270 0.300 1 142 19 19 GLU CB C 31.665 0.300 1 143 19 19 GLU CG C 35.855 0.300 1 144 19 19 GLU N N 116.461 0.300 1 145 22 22 THR H H 7.920 0.030 1 146 22 22 THR HA H 4.268 0.030 1 147 22 22 THR HB H 4.137 0.030 1 148 22 22 THR HG2 H 0.988 0.030 1 149 22 22 THR CA C 62.475 0.300 1 150 22 22 THR CB C 69.394 0.300 1 151 22 22 THR CG2 C 22.147 0.300 1 152 22 22 THR N N 109.667 0.300 1 153 23 23 HIS HA H 4.695 0.030 1 154 23 23 HIS HB2 H 3.148 0.030 2 155 23 23 HIS HB3 H 3.084 0.030 2 156 23 23 HIS HD2 H 7.049 0.030 1 157 23 23 HIS CA C 56.448 0.300 1 158 23 23 HIS CB C 30.626 0.300 1 159 23 23 HIS CD2 C 120.125 0.300 1 160 24 24 ASN H H 7.309 0.030 1 161 24 24 ASN HA H 4.735 0.030 1 162 24 24 ASN HB2 H 2.919 0.030 1 163 24 24 ASN HB3 H 2.919 0.030 1 164 24 24 ASN HD21 H 7.629 0.030 2 165 24 24 ASN HD22 H 6.947 0.030 2 166 24 24 ASN CA C 53.168 0.300 1 167 24 24 ASN CB C 38.282 0.300 1 168 24 24 ASN ND2 N 112.382 0.300 1 169 25 25 ASN H H 8.294 0.030 1 170 25 25 ASN HA H 4.514 0.030 1 171 25 25 ASN HB2 H 2.678 0.030 1 172 25 25 ASN HB3 H 2.678 0.030 1 173 25 25 ASN HD21 H 7.472 0.030 2 174 25 25 ASN HD22 H 6.329 0.030 2 175 25 25 ASN C C 172.845 0.300 1 176 25 25 ASN CA C 53.260 0.300 1 177 25 25 ASN CB C 36.285 0.300 1 178 25 25 ASN N N 117.583 0.300 1 179 25 25 ASN ND2 N 111.687 0.300 1 180 26 26 SER H H 7.732 0.030 1 181 26 26 SER HA H 5.367 0.030 1 182 26 26 SER HB2 H 3.637 0.030 1 183 26 26 SER HB3 H 3.637 0.030 1 184 26 26 SER C C 172.658 0.300 1 185 26 26 SER CA C 56.857 0.300 1 186 26 26 SER CB C 66.927 0.300 1 187 26 26 SER N N 112.080 0.300 1 188 27 27 ALA H H 8.689 0.030 1 189 27 27 ALA HA H 4.923 0.030 1 190 27 27 ALA HB H 1.120 0.030 1 191 27 27 ALA C C 175.264 0.300 1 192 27 27 ALA CA C 51.285 0.300 1 193 27 27 ALA CB C 22.891 0.300 1 194 27 27 ALA N N 121.893 0.300 1 195 28 28 THR H H 9.021 0.030 1 196 28 28 THR HA H 5.106 0.030 1 197 28 28 THR HB H 3.841 0.030 1 198 28 28 THR HG2 H 1.004 0.030 1 199 28 28 THR C C 172.402 0.300 1 200 28 28 THR CA C 62.323 0.300 1 201 28 28 THR CB C 70.451 0.300 1 202 28 28 THR CG2 C 21.477 0.300 1 203 28 28 THR N N 118.403 0.300 1 204 29 29 LEU H H 8.829 0.030 1 205 29 29 LEU HA H 5.152 0.030 1 206 29 29 LEU HB2 H 1.842 0.030 2 207 29 29 LEU HB3 H 1.765 0.030 2 208 29 29 LEU HD1 H 1.138 0.030 1 209 29 29 LEU HD2 H 0.832 0.030 1 210 29 29 LEU HG H 1.682 0.030 1 211 29 29 LEU CA C 53.635 0.300 1 212 29 29 LEU CB C 45.042 0.300 1 213 29 29 LEU CD1 C 24.814 0.300 2 214 29 29 LEU CD2 C 25.918 0.300 2 215 29 29 LEU CG C 29.003 0.300 1 216 29 29 LEU N N 129.309 0.300 1 217 30 30 SER H H 7.928 0.030 1 218 30 30 SER HA H 4.745 0.030 1 219 30 30 SER HB2 H 3.719 0.030 2 220 30 30 SER HB3 H 3.452 0.030 2 221 30 30 SER CA C 56.536 0.300 1 222 30 30 SER CB C 66.665 0.300 1 223 30 30 SER N N 117.370 0.300 1 224 31 31 TRP H H 8.228 0.030 1 225 31 31 TRP HA H 5.727 0.030 1 226 31 31 TRP HB2 H 3.415 0.030 2 227 31 31 TRP HB3 H 2.671 0.030 2 228 31 31 TRP HE1 H 10.114 0.030 1 229 31 31 TRP HE3 H 6.813 0.030 1 230 31 31 TRP HH2 H 6.351 0.030 1 231 31 31 TRP HZ2 H 7.147 0.030 1 232 31 31 TRP HZ3 H 6.527 0.030 1 233 31 31 TRP CA C 55.497 0.300 1 234 31 31 TRP CB C 32.233 0.300 1 235 31 31 TRP CE3 C 119.138 0.300 1 236 31 31 TRP CH2 C 122.999 0.300 1 237 31 31 TRP CZ2 C 114.657 0.300 1 238 31 31 TRP CZ3 C 121.807 0.300 1 239 31 31 TRP N N 112.442 0.300 1 240 31 31 TRP NE1 N 129.455 0.300 1 241 32 32 LYS H H 8.221 0.030 1 242 32 32 LYS HA H 4.712 0.030 1 243 32 32 LYS HB2 H 1.933 0.030 2 244 32 32 LYS HB3 H 1.771 0.030 2 245 32 32 LYS HD2 H 1.599 0.030 2 246 32 32 LYS HD3 H 1.531 0.030 2 247 32 32 LYS HE2 H 2.817 0.030 1 248 32 32 LYS HE3 H 2.817 0.030 1 249 32 32 LYS HG2 H 1.308 0.030 2 250 32 32 LYS HG3 H 1.142 0.030 2 251 32 32 LYS C C 175.292 0.300 1 252 32 32 LYS CA C 54.529 0.300 1 253 32 32 LYS CB C 35.652 0.300 1 254 32 32 LYS CD C 29.467 0.300 1 255 32 32 LYS CE C 42.301 0.300 1 256 32 32 LYS CG C 23.345 0.300 1 257 32 32 LYS N N 119.066 0.300 1 258 33 33 GLN H H 8.692 0.030 1 259 33 33 GLN HA H 4.603 0.030 1 260 33 33 GLN HB2 H 2.033 0.030 1 261 33 33 GLN HB3 H 2.033 0.030 1 262 33 33 GLN HE21 H 7.880 0.030 2 263 33 33 GLN HE22 H 7.031 0.030 2 264 33 33 GLN HG2 H 2.660 0.030 2 265 33 33 GLN HG3 H 2.355 0.030 2 266 33 33 GLN C C 173.956 0.300 1 267 33 33 GLN CA C 53.209 0.300 1 268 33 33 GLN CB C 28.790 0.300 1 269 33 33 GLN CG C 34.882 0.300 1 270 33 33 GLN N N 117.981 0.300 1 271 33 33 GLN NE2 N 109.251 0.300 1 272 34 34 PRO HA H 4.530 0.030 1 273 34 34 PRO HB2 H 2.432 0.030 2 274 34 34 PRO HB3 H 1.913 0.030 2 275 34 34 PRO HD2 H 3.895 0.030 2 276 34 34 PRO HD3 H 3.380 0.030 2 277 34 34 PRO HG2 H 2.140 0.030 2 278 34 34 PRO HG3 H 2.070 0.030 2 279 34 34 PRO CA C 61.773 0.300 1 280 34 34 PRO CB C 30.890 0.300 1 281 34 34 PRO CD C 50.540 0.300 1 282 34 34 PRO CG C 28.564 0.300 1 283 35 35 PRO HA H 4.320 0.030 1 284 35 35 PRO HB2 H 2.340 0.030 2 285 35 35 PRO HB3 H 1.894 0.030 2 286 35 35 PRO HD2 H 3.739 0.030 2 287 35 35 PRO HG2 H 2.040 0.030 1 288 35 35 PRO HG3 H 2.040 0.030 1 289 35 35 PRO CA C 64.418 0.300 1 290 35 35 PRO CB C 31.929 0.300 1 291 35 35 PRO CD C 50.843 0.300 1 292 35 35 PRO CG C 27.548 0.300 1 293 36 36 LEU H H 8.503 0.030 1 294 36 36 LEU HA H 4.180 0.030 1 295 36 36 LEU HB2 H 1.869 0.030 2 296 36 36 LEU HB3 H 1.616 0.030 2 297 36 36 LEU HD1 H 0.893 0.030 1 298 36 36 LEU HD2 H 0.842 0.030 1 299 36 36 LEU HG H 1.519 0.030 1 300 36 36 LEU CA C 55.353 0.300 1 301 36 36 LEU CB C 40.036 0.300 1 302 36 36 LEU CD1 C 25.162 0.300 2 303 36 36 LEU CD2 C 22.686 0.300 2 304 36 36 LEU CG C 27.232 0.300 1 305 36 36 LEU N N 115.933 0.300 1 306 37 37 SER H H 7.635 0.030 1 307 37 37 SER HA H 4.471 0.030 1 308 37 37 SER HB2 H 3.908 0.030 2 309 37 37 SER HB3 H 3.830 0.030 2 310 37 37 SER CA C 58.455 0.300 1 311 37 37 SER CB C 63.711 0.300 1 312 37 37 SER N N 113.720 0.300 1 313 38 38 THR H H 7.029 0.030 1 314 38 38 THR HA H 4.439 0.030 1 315 38 38 THR HB H 4.480 0.030 1 316 38 38 THR HG2 H 1.172 0.030 1 317 38 38 THR CA C 61.618 0.300 1 318 38 38 THR CB C 69.220 0.300 1 319 38 38 THR CG2 C 21.561 0.300 1 320 38 38 THR N N 109.257 0.300 1 321 39 39 VAL H H 7.317 0.030 1 322 39 39 VAL HA H 4.352 0.030 1 323 39 39 VAL HB H 1.860 0.030 1 324 39 39 VAL HG1 H 0.879 0.030 1 325 39 39 VAL HG2 H 0.644 0.030 1 326 39 39 VAL CA C 60.102 0.300 1 327 39 39 VAL CB C 33.155 0.300 1 328 39 39 VAL CG1 C 20.959 0.300 2 329 39 39 VAL CG2 C 20.588 0.300 2 330 39 39 VAL N N 123.607 0.300 1 331 40 40 PRO HA H 4.379 0.030 1 332 40 40 PRO HB2 H 2.246 0.030 2 333 40 40 PRO HB3 H 1.856 0.030 2 334 40 40 PRO HD2 H 4.027 0.030 2 335 40 40 PRO HD3 H 3.724 0.030 2 336 40 40 PRO HG2 H 2.036 0.030 2 337 40 40 PRO HG3 H 1.954 0.030 2 338 40 40 PRO C C 175.595 0.300 1 339 40 40 PRO CA C 62.993 0.300 1 340 40 40 PRO CB C 32.493 0.300 1 341 40 40 PRO CD C 51.440 0.300 1 342 40 40 PRO CG C 27.136 0.300 1 343 41 41 ALA H H 8.444 0.030 1 344 41 41 ALA HA H 4.117 0.030 1 345 41 41 ALA HB H 0.918 0.030 1 346 41 41 ALA C C 176.877 0.300 1 347 41 41 ALA CA C 50.791 0.300 1 348 41 41 ALA CB C 20.036 0.300 1 349 41 41 ALA N N 122.345 0.300 1 350 42 42 ASP H H 8.717 0.030 1 351 42 42 ASP HA H 4.504 0.030 1 352 42 42 ASP HB2 H 2.646 0.030 2 353 42 42 ASP HB3 H 2.260 0.030 2 354 42 42 ASP C C 176.159 0.300 1 355 42 42 ASP CA C 55.164 0.300 1 356 42 42 ASP CB C 41.651 0.300 1 357 42 42 ASP N N 121.933 0.300 1 358 43 43 GLY H H 6.604 0.030 1 359 43 43 GLY HA2 H 3.545 0.030 2 360 43 43 GLY HA3 H 3.064 0.030 2 361 43 43 GLY C C 168.522 0.300 1 362 43 43 GLY CA C 44.999 0.300 1 363 43 43 GLY N N 104.692 0.300 1 364 44 44 TYR H H 8.973 0.030 1 365 44 44 TYR HA H 5.251 0.030 1 366 44 44 TYR HB2 H 2.828 0.030 2 367 44 44 TYR HB3 H 2.557 0.030 2 368 44 44 TYR HD1 H 6.813 0.030 1 369 44 44 TYR HD2 H 6.813 0.030 1 370 44 44 TYR HE1 H 6.810 0.030 1 371 44 44 TYR HE2 H 6.810 0.030 1 372 44 44 TYR C C 173.989 0.300 1 373 44 44 TYR CA C 56.962 0.300 1 374 44 44 TYR CB C 43.867 0.300 1 375 44 44 TYR CD1 C 132.259 0.300 1 376 44 44 TYR CD2 C 132.259 0.300 1 377 44 44 TYR CE1 C 118.445 0.300 1 378 44 44 TYR CE2 C 118.445 0.300 1 379 44 44 TYR N N 116.343 0.300 1 380 45 45 ILE H H 8.703 0.030 1 381 45 45 ILE HA H 4.947 0.030 1 382 45 45 ILE HB H 1.575 0.030 1 383 45 45 ILE HD1 H 0.709 0.030 1 384 45 45 ILE HG12 H 1.658 0.030 2 385 45 45 ILE HG13 H 1.216 0.030 2 386 45 45 ILE HG2 H 0.977 0.030 1 387 45 45 ILE C C 174.118 0.300 1 388 45 45 ILE CA C 60.842 0.300 1 389 45 45 ILE CB C 41.518 0.300 1 390 45 45 ILE CD1 C 14.726 0.300 1 391 45 45 ILE CG1 C 28.125 0.300 1 392 45 45 ILE CG2 C 17.355 0.300 1 393 45 45 ILE N N 118.839 0.300 1 394 46 46 LEU H H 9.331 0.030 1 395 46 46 LEU HA H 4.757 0.030 1 396 46 46 LEU HB2 H 2.000 0.030 2 397 46 46 LEU HB3 H 0.783 0.030 2 398 46 46 LEU HD1 H 0.839 0.030 1 399 46 46 LEU HD2 H 0.616 0.030 1 400 46 46 LEU HG H 1.338 0.030 1 401 46 46 LEU C C 175.138 0.300 1 402 46 46 LEU CA C 53.453 0.300 1 403 46 46 LEU CB C 44.670 0.300 1 404 46 46 LEU CD1 C 26.232 0.300 2 405 46 46 LEU CD2 C 22.906 0.300 2 406 46 46 LEU CG C 27.717 0.300 1 407 46 46 LEU N N 128.481 0.300 1 408 47 47 GLU H H 9.425 0.030 1 409 47 47 GLU HA H 5.478 0.030 1 410 47 47 GLU HB2 H 1.906 0.030 2 411 47 47 GLU HB3 H 1.591 0.030 2 412 47 47 GLU HG2 H 2.161 0.030 2 413 47 47 GLU HG3 H 1.911 0.030 2 414 47 47 GLU C C 174.406 0.300 1 415 47 47 GLU CA C 53.831 0.300 1 416 47 47 GLU CB C 34.352 0.300 1 417 47 47 GLU CG C 35.583 0.300 1 418 47 47 GLU N N 126.083 0.300 1 419 48 48 LEU H H 8.702 0.030 1 420 48 48 LEU HA H 5.673 0.030 1 421 48 48 LEU HB2 H 2.083 0.030 2 422 48 48 LEU HB3 H 1.368 0.030 2 423 48 48 LEU HD1 H 0.892 0.030 1 424 48 48 LEU HD2 H 0.754 0.030 1 425 48 48 LEU HG H 2.231 0.030 1 426 48 48 LEU C C 177.479 0.300 1 427 48 48 LEU CA C 53.708 0.300 1 428 48 48 LEU CB C 49.296 0.300 1 429 48 48 LEU CD1 C 24.697 0.300 2 430 48 48 LEU CD2 C 26.559 0.300 2 431 48 48 LEU CG C 27.861 0.300 1 432 48 48 LEU N N 121.276 0.300 1 433 49 49 ASP H H 8.381 0.030 1 434 49 49 ASP HA H 4.940 0.030 1 435 49 49 ASP HB2 H 2.298 0.030 2 436 49 49 ASP HB3 H 1.316 0.030 2 437 49 49 ASP C C 174.267 0.300 1 438 49 49 ASP CA C 52.254 0.300 1 439 49 49 ASP CB C 38.522 0.300 1 440 49 49 ASP N N 125.226 0.300 1 441 50 50 ASP H H 6.593 0.030 1 442 50 50 ASP HA H 4.570 0.030 1 443 50 50 ASP HB2 H 3.084 0.030 2 444 50 50 ASP HB3 H 2.691 0.030 2 445 50 50 ASP C C 177.960 0.300 1 446 50 50 ASP CA C 52.819 0.300 1 447 50 50 ASP CB C 41.169 0.300 1 448 50 50 ASP N N 110.948 0.300 1 449 51 51 GLY H H 7.705 0.030 1 450 51 51 GLY HA2 H 2.938 0.030 2 451 51 51 GLY HA3 H 2.770 0.030 2 452 51 51 GLY C C 173.684 0.300 1 453 51 51 GLY CA C 44.902 0.300 1 454 51 51 GLY N N 111.212 0.300 1 455 52 52 ASN H H 8.190 0.030 1 456 52 52 ASN HA H 4.892 0.030 1 457 52 52 ASN HB2 H 2.632 0.030 2 458 52 52 ASN HB3 H 2.148 0.030 2 459 52 52 ASN HD21 H 7.319 0.030 2 460 52 52 ASN HD22 H 6.694 0.030 2 461 52 52 ASN C C 176.496 0.300 1 462 52 52 ASN CA C 52.061 0.300 1 463 52 52 ASN CB C 40.323 0.300 1 464 52 52 ASN N N 119.071 0.300 1 465 52 52 ASN ND2 N 112.295 0.300 1 466 53 53 GLY H H 9.029 0.030 1 467 53 53 GLY HA2 H 3.860 0.030 2 468 53 53 GLY HA3 H 3.651 0.030 2 469 53 53 GLY C C 175.276 0.300 1 470 53 53 GLY CA C 46.306 0.300 1 471 53 53 GLY N N 109.603 0.300 1 472 54 54 GLY H H 9.003 0.030 1 473 54 54 GLY HA2 H 4.197 0.030 2 474 54 54 GLY HA3 H 3.702 0.030 2 475 54 54 GLY C C 173.458 0.300 1 476 54 54 GLY CA C 43.605 0.300 1 477 54 54 GLY N N 110.354 0.300 1 478 55 55 GLN H H 8.103 0.030 1 479 55 55 GLN HA H 4.118 0.030 1 480 55 55 GLN HB2 H 2.076 0.030 2 481 55 55 GLN HB3 H 1.894 0.030 2 482 55 55 GLN HE21 H 7.617 0.030 2 483 55 55 GLN HE22 H 6.911 0.030 2 484 55 55 GLN HG2 H 2.417 0.030 1 485 55 55 GLN HG3 H 2.417 0.030 1 486 55 55 GLN C C 176.883 0.300 1 487 55 55 GLN CA C 55.685 0.300 1 488 55 55 GLN CB C 29.930 0.300 1 489 55 55 GLN CG C 33.812 0.300 1 490 55 55 GLN N N 117.462 0.300 1 491 55 55 GLN NE2 N 113.041 0.300 1 492 56 56 PHE H H 8.372 0.030 1 493 56 56 PHE HA H 4.087 0.030 1 494 56 56 PHE HB2 H 2.946 0.030 2 495 56 56 PHE HB3 H 2.682 0.030 2 496 56 56 PHE HD1 H 6.967 0.030 1 497 56 56 PHE HD2 H 6.967 0.030 1 498 56 56 PHE HE1 H 6.918 0.030 1 499 56 56 PHE HE2 H 6.918 0.030 1 500 56 56 PHE C C 176.284 0.300 1 501 56 56 PHE CA C 60.224 0.300 1 502 56 56 PHE CB C 40.932 0.300 1 503 56 56 PHE CD1 C 131.428 0.300 1 504 56 56 PHE CD2 C 131.428 0.300 1 505 56 56 PHE CE1 C 128.779 0.300 1 506 56 56 PHE CE2 C 128.779 0.300 1 507 56 56 PHE N N 119.638 0.300 1 508 57 57 ARG H H 8.747 0.030 1 509 57 57 ARG HA H 4.768 0.030 1 510 57 57 ARG HB2 H 1.828 0.030 1 511 57 57 ARG HB3 H 1.828 0.030 1 512 57 57 ARG HD2 H 3.235 0.030 2 513 57 57 ARG HD3 H 3.166 0.030 2 514 57 57 ARG HG2 H 1.708 0.030 2 515 57 57 ARG HG3 H 1.573 0.030 2 516 57 57 ARG C C 175.271 0.300 1 517 57 57 ARG CA C 53.894 0.300 1 518 57 57 ARG CB C 32.987 0.300 1 519 57 57 ARG CD C 43.314 0.300 1 520 57 57 ARG CG C 26.530 0.300 1 521 57 57 ARG N N 120.208 0.300 1 522 58 58 GLU H H 8.879 0.030 1 523 58 58 GLU HA H 4.306 0.030 1 524 58 58 GLU HB2 H 2.011 0.030 2 525 58 58 GLU HB3 H 1.738 0.030 2 526 58 58 GLU HG2 H 2.343 0.030 2 527 58 58 GLU HG3 H 2.005 0.030 2 528 58 58 GLU C C 177.247 0.300 1 529 58 58 GLU CA C 57.739 0.300 1 530 58 58 GLU CB C 29.963 0.300 1 531 58 58 GLU CG C 36.396 0.300 1 532 58 58 GLU N N 121.207 0.300 1 533 59 59 VAL H H 9.195 0.030 1 534 59 59 VAL HA H 4.642 0.030 1 535 59 59 VAL HB H 2.285 0.030 1 536 59 59 VAL HG1 H 1.026 0.030 1 537 59 59 VAL HG2 H 0.873 0.030 1 538 59 59 VAL C C 175.361 0.300 1 539 59 59 VAL CA C 61.423 0.300 1 540 59 59 VAL CB C 33.729 0.300 1 541 59 59 VAL CG1 C 22.175 0.300 2 542 59 59 VAL CG2 C 20.543 0.300 2 543 59 59 VAL N N 118.315 0.300 1 544 60 60 TYR H H 7.655 0.030 1 545 60 60 TYR HA H 4.687 0.030 1 546 60 60 TYR HB2 H 3.569 0.030 2 547 60 60 TYR HB3 H 2.665 0.030 2 548 60 60 TYR HD1 H 7.084 0.030 1 549 60 60 TYR HD2 H 7.084 0.030 1 550 60 60 TYR HE1 H 7.012 0.030 1 551 60 60 TYR HE2 H 7.012 0.030 1 552 60 60 TYR C C 172.385 0.300 1 553 60 60 TYR CA C 59.626 0.300 1 554 60 60 TYR CB C 42.340 0.300 1 555 60 60 TYR CD1 C 132.720 0.300 1 556 60 60 TYR CD2 C 132.720 0.300 1 557 60 60 TYR CE1 C 118.492 0.300 1 558 60 60 TYR CE2 C 118.492 0.300 1 559 60 60 TYR N N 121.676 0.300 1 560 61 61 VAL H H 7.344 0.030 1 561 61 61 VAL HA H 4.998 0.030 1 562 61 61 VAL HB H 1.805 0.030 1 563 61 61 VAL HG1 H 0.892 0.030 1 564 61 61 VAL HG2 H 0.819 0.030 1 565 61 61 VAL C C 175.279 0.300 1 566 61 61 VAL CA C 60.340 0.300 1 567 61 61 VAL CB C 34.733 0.300 1 568 61 61 VAL CG1 C 21.120 0.300 2 569 61 61 VAL CG2 C 19.968 0.300 2 570 61 61 VAL N N 127.362 0.300 1 571 62 62 GLY H H 8.637 0.030 1 572 62 62 GLY HA2 H 4.524 0.030 2 573 62 62 GLY HA3 H 4.152 0.030 2 574 62 62 GLY C C 172.775 0.300 1 575 62 62 GLY CA C 45.854 0.300 1 576 62 62 GLY N N 113.860 0.300 1 577 63 63 LYS H H 8.853 0.030 1 578 63 63 LYS HA H 4.633 0.030 1 579 63 63 LYS HB2 H 2.036 0.030 2 580 63 63 LYS HB3 H 1.962 0.030 2 581 63 63 LYS HD2 H 1.786 0.030 1 582 63 63 LYS HD3 H 1.786 0.030 1 583 63 63 LYS HE2 H 3.102 0.030 1 584 63 63 LYS HE3 H 3.102 0.030 1 585 63 63 LYS HG2 H 1.710 0.030 2 586 63 63 LYS HG3 H 1.518 0.030 2 587 63 63 LYS C C 177.542 0.300 1 588 63 63 LYS CA C 57.245 0.300 1 589 63 63 LYS CB C 34.141 0.300 1 590 63 63 LYS CD C 29.405 0.300 1 591 63 63 LYS CE C 42.175 0.300 1 592 63 63 LYS CG C 24.828 0.300 1 593 63 63 LYS N N 116.919 0.300 1 594 64 64 GLU H H 8.412 0.030 1 595 64 64 GLU HA H 4.409 0.030 1 596 64 64 GLU HB2 H 2.238 0.030 2 597 64 64 GLU HB3 H 2.142 0.030 2 598 64 64 GLU HG2 H 2.498 0.030 2 599 64 64 GLU HG3 H 2.446 0.030 2 600 64 64 GLU C C 174.745 0.300 1 601 64 64 GLU CA C 56.636 0.300 1 602 64 64 GLU CB C 29.919 0.300 1 603 64 64 GLU CG C 37.109 0.300 1 604 64 64 GLU N N 118.777 0.300 1 605 65 65 THR H H 7.701 0.030 1 606 65 65 THR HA H 3.269 0.030 1 607 65 65 THR HB H 4.394 0.030 1 608 65 65 THR HG2 H 0.888 0.030 1 609 65 65 THR C C 171.870 0.300 1 610 65 65 THR CA C 59.325 0.300 1 611 65 65 THR CB C 67.479 0.300 1 612 65 65 THR CG2 C 21.284 0.300 1 613 65 65 THR N N 103.664 0.300 1 614 66 66 MET H H 6.401 0.030 1 615 66 66 MET HA H 4.141 0.030 1 616 66 66 MET HB2 H 1.634 0.030 2 617 66 66 MET HB3 H 1.559 0.030 2 618 66 66 MET HE H 1.805 0.030 1 619 66 66 MET HG2 H 2.093 0.030 1 620 66 66 MET HG3 H 2.093 0.030 1 621 66 66 MET C C 174.383 0.300 1 622 66 66 MET CA C 54.107 0.300 1 623 66 66 MET CB C 35.676 0.300 1 624 66 66 MET CE C 16.507 0.300 1 625 66 66 MET CG C 30.362 0.300 1 626 66 66 MET N N 115.325 0.300 1 627 67 67 CYS H H 8.498 0.030 1 628 67 67 CYS HA H 4.360 0.030 1 629 67 67 CYS HB2 H 2.635 0.030 2 630 67 67 CYS HB3 H 2.280 0.030 2 631 67 67 CYS C C 172.184 0.300 1 632 67 67 CYS CA C 58.196 0.300 1 633 67 67 CYS CB C 30.231 0.300 1 634 67 67 CYS N N 118.288 0.300 1 635 68 68 THR H H 8.653 0.030 1 636 68 68 THR HA H 5.202 0.030 1 637 68 68 THR HB H 3.816 0.030 1 638 68 68 THR HG2 H 1.033 0.030 1 639 68 68 THR C C 173.924 0.300 1 640 68 68 THR CA C 61.935 0.300 1 641 68 68 THR CB C 70.345 0.300 1 642 68 68 THR CG2 C 21.861 0.300 1 643 68 68 THR N N 123.211 0.300 1 644 69 69 VAL H H 9.270 0.030 1 645 69 69 VAL HA H 4.301 0.030 1 646 69 69 VAL HB H 1.956 0.030 1 647 69 69 VAL HG1 H 0.861 0.030 1 648 69 69 VAL HG2 H 0.822 0.030 1 649 69 69 VAL C C 173.637 0.300 1 650 69 69 VAL CA C 60.401 0.300 1 651 69 69 VAL CB C 32.946 0.300 1 652 69 69 VAL CG1 C 21.898 0.300 2 653 69 69 VAL CG2 C 19.977 0.300 2 654 69 69 VAL N N 126.405 0.300 1 655 70 70 ASP H H 8.183 0.030 1 656 70 70 ASP HA H 4.994 0.030 1 657 70 70 ASP HB2 H 2.623 0.030 2 658 70 70 ASP HB3 H 2.530 0.030 2 659 70 70 ASP C C 176.102 0.300 1 660 70 70 ASP CA C 52.333 0.300 1 661 70 70 ASP CB C 43.455 0.300 1 662 70 70 ASP N N 123.639 0.300 1 663 71 71 GLY H H 8.341 0.030 1 664 71 71 GLY HA2 H 3.803 0.030 2 665 71 71 GLY HA3 H 3.627 0.030 2 666 71 71 GLY C C 175.548 0.300 1 667 71 71 GLY CA C 46.418 0.300 1 668 71 71 GLY N N 105.447 0.300 1 669 72 72 LEU H H 7.876 0.030 1 670 72 72 LEU HA H 3.865 0.030 1 671 72 72 LEU HB2 H 1.137 0.030 2 672 72 72 LEU HB3 H 1.016 0.030 2 673 72 72 LEU HD1 H 0.165 0.030 1 674 72 72 LEU HD2 H -0.166 0.030 1 675 72 72 LEU HG H 1.089 0.030 1 676 72 72 LEU C C 176.810 0.300 1 677 72 72 LEU CA C 54.353 0.300 1 678 72 72 LEU CB C 40.733 0.300 1 679 72 72 LEU CD1 C 25.323 0.300 2 680 72 72 LEU CD2 C 20.214 0.300 2 681 72 72 LEU CG C 26.464 0.300 1 682 72 72 LEU N N 118.464 0.300 1 683 73 73 HIS H H 8.714 0.030 1 684 73 73 HIS HA H 4.612 0.030 1 685 73 73 HIS HB2 H 3.160 0.030 1 686 73 73 HIS HB3 H 3.160 0.030 1 687 73 73 HIS HD2 H 7.117 0.030 1 688 73 73 HIS C C 176.847 0.300 1 689 73 73 HIS CA C 55.217 0.300 1 690 73 73 HIS CB C 30.517 0.300 1 691 73 73 HIS CD2 C 119.669 0.300 1 692 73 73 HIS N N 120.694 0.300 1 693 74 74 PHE H H 8.596 0.030 1 694 74 74 PHE HA H 4.505 0.030 1 695 74 74 PHE HB2 H 3.305 0.030 2 696 74 74 PHE HB3 H 2.907 0.030 2 697 74 74 PHE HD1 H 7.337 0.030 1 698 74 74 PHE HD2 H 7.337 0.030 1 699 74 74 PHE HE1 H 7.282 0.030 1 700 74 74 PHE HE2 H 7.282 0.030 1 701 74 74 PHE C C 176.575 0.300 1 702 74 74 PHE CA C 58.779 0.300 1 703 74 74 PHE CB C 39.540 0.300 1 704 74 74 PHE CD1 C 131.706 0.300 1 705 74 74 PHE CD2 C 131.706 0.300 1 706 74 74 PHE CE1 C 129.980 0.300 1 707 74 74 PHE CE2 C 129.980 0.300 1 708 74 74 PHE N N 121.672 0.300 1 709 75 75 ASN H H 8.676 0.030 1 710 75 75 ASN HA H 4.378 0.030 1 711 75 75 ASN HB2 H 3.020 0.030 2 712 75 75 ASN HB3 H 2.579 0.030 2 713 75 75 ASN HD21 H 7.587 0.030 2 714 75 75 ASN HD22 H 6.930 0.030 2 715 75 75 ASN C C 174.394 0.300 1 716 75 75 ASN CA C 54.194 0.300 1 717 75 75 ASN CB C 37.997 0.300 1 718 75 75 ASN N N 120.740 0.300 1 719 75 75 ASN ND2 N 112.609 0.300 1 720 76 76 SER H H 8.117 0.030 1 721 76 76 SER HA H 4.946 0.030 1 722 76 76 SER HB2 H 3.620 0.030 2 723 76 76 SER HB3 H 3.542 0.030 2 724 76 76 SER C C 171.531 0.300 1 725 76 76 SER CA C 58.497 0.300 1 726 76 76 SER CB C 67.354 0.300 1 727 76 76 SER N N 112.487 0.300 1 728 77 77 THR H H 8.424 0.030 1 729 77 77 THR HA H 4.858 0.030 1 730 77 77 THR HB H 3.810 0.030 1 731 77 77 THR HG2 H 1.027 0.030 1 732 77 77 THR C C 173.243 0.300 1 733 77 77 THR CA C 61.900 0.300 1 734 77 77 THR CB C 69.955 0.300 1 735 77 77 THR CG2 C 22.367 0.300 1 736 77 77 THR N N 120.085 0.300 1 737 78 78 TYR H H 9.315 0.030 1 738 78 78 TYR HA H 4.835 0.030 1 739 78 78 TYR HB2 H 2.749 0.030 1 740 78 78 TYR HB3 H 2.749 0.030 1 741 78 78 TYR HD1 H 7.003 0.030 1 742 78 78 TYR HD2 H 7.003 0.030 1 743 78 78 TYR HE1 H 6.742 0.030 1 744 78 78 TYR HE2 H 6.742 0.030 1 745 78 78 TYR C C 174.399 0.300 1 746 78 78 TYR CA C 57.104 0.300 1 747 78 78 TYR CB C 42.178 0.300 1 748 78 78 TYR CD1 C 133.423 0.300 1 749 78 78 TYR CD2 C 133.423 0.300 1 750 78 78 TYR CE1 C 118.124 0.300 1 751 78 78 TYR CE2 C 118.124 0.300 1 752 78 78 TYR N N 125.246 0.300 1 753 79 79 ASN H H 8.580 0.030 1 754 79 79 ASN HA H 5.635 0.030 1 755 79 79 ASN HB2 H 2.354 0.030 2 756 79 79 ASN HB3 H 2.248 0.030 2 757 79 79 ASN HD21 H 7.431 0.030 2 758 79 79 ASN HD22 H 6.774 0.030 2 759 79 79 ASN C C 173.405 0.300 1 760 79 79 ASN CA C 52.046 0.300 1 761 79 79 ASN CB C 42.482 0.300 1 762 79 79 ASN N N 118.612 0.300 1 763 79 79 ASN ND2 N 112.173 0.300 1 764 80 80 ALA H H 9.242 0.030 1 765 80 80 ALA HA H 5.822 0.030 1 766 80 80 ALA HB H 1.333 0.030 1 767 80 80 ALA C C 174.982 0.300 1 768 80 80 ALA CA C 49.857 0.300 1 769 80 80 ALA CB C 24.111 0.300 1 770 80 80 ALA N N 123.021 0.300 1 771 81 81 ARG H H 8.782 0.030 1 772 81 81 ARG HA H 4.425 0.030 1 773 81 81 ARG HB2 H 1.558 0.030 2 774 81 81 ARG HB3 H 1.378 0.030 2 775 81 81 ARG HD2 H 1.357 0.030 1 776 81 81 ARG HD3 H 1.357 0.030 1 777 81 81 ARG HE H 6.131 0.030 1 778 81 81 ARG HG2 H 0.796 0.030 2 779 81 81 ARG HG3 H 0.569 0.030 2 780 81 81 ARG C C 171.679 0.300 1 781 81 81 ARG CA C 55.411 0.300 1 782 81 81 ARG CB C 32.328 0.300 1 783 81 81 ARG CD C 42.579 0.300 1 784 81 81 ARG CG C 24.635 0.300 1 785 81 81 ARG N N 114.168 0.300 1 786 81 81 ARG NE N 118.933 0.300 1 787 82 82 VAL H H 8.584 0.030 1 788 82 82 VAL HA H 5.693 0.030 1 789 82 82 VAL HB H 1.377 0.030 1 790 82 82 VAL HG1 H 0.548 0.030 1 791 82 82 VAL HG2 H -0.045 0.030 1 792 82 82 VAL C C 171.965 0.300 1 793 82 82 VAL CA C 58.056 0.300 1 794 82 82 VAL CB C 36.513 0.300 1 795 82 82 VAL CG1 C 20.325 0.300 2 796 82 82 VAL CG2 C 20.728 0.300 2 797 82 82 VAL N N 120.547 0.300 1 798 83 83 LYS H H 8.649 0.030 1 799 83 83 LYS HA H 4.659 0.030 1 800 83 83 LYS HB2 H 1.663 0.030 2 801 83 83 LYS HB3 H 0.907 0.030 2 802 83 83 LYS HD2 H 1.241 0.030 2 803 83 83 LYS HD3 H 0.449 0.030 2 804 83 83 LYS HE2 H 2.669 0.030 2 805 83 83 LYS HE3 H 2.620 0.030 2 806 83 83 LYS HG2 H 1.132 0.030 2 807 83 83 LYS HG3 H 0.963 0.030 2 808 83 83 LYS C C 172.791 0.300 1 809 83 83 LYS CA C 54.353 0.300 1 810 83 83 LYS CB C 35.667 0.300 1 811 83 83 LYS CD C 29.279 0.300 1 812 83 83 LYS CE C 42.397 0.300 1 813 83 83 LYS CG C 23.917 0.300 1 814 83 83 LYS N N 123.017 0.300 1 815 84 84 ALA H H 8.734 0.030 1 816 84 84 ALA HA H 5.006 0.030 1 817 84 84 ALA HB H 1.250 0.030 1 818 84 84 ALA C C 175.965 0.300 1 819 84 84 ALA CA C 49.708 0.300 1 820 84 84 ALA CB C 23.726 0.300 1 821 84 84 ALA N N 124.079 0.300 1 822 85 85 PHE H H 8.113 0.030 1 823 85 85 PHE HA H 5.571 0.030 1 824 85 85 PHE HB2 H 3.163 0.030 2 825 85 85 PHE HB3 H 2.691 0.030 2 826 85 85 PHE HD1 H 6.657 0.030 1 827 85 85 PHE HD2 H 6.657 0.030 1 828 85 85 PHE HE1 H 7.056 0.030 1 829 85 85 PHE HE2 H 7.056 0.030 1 830 85 85 PHE HZ H 7.042 0.030 1 831 85 85 PHE C C 174.079 0.300 1 832 85 85 PHE CA C 55.569 0.300 1 833 85 85 PHE CB C 43.615 0.300 1 834 85 85 PHE CD1 C 132.304 0.300 1 835 85 85 PHE CD2 C 132.304 0.300 1 836 85 85 PHE CE1 C 130.778 0.300 1 837 85 85 PHE CE2 C 130.778 0.300 1 838 85 85 PHE CZ C 129.539 0.300 1 839 85 85 PHE N N 113.969 0.300 1 840 86 86 ASN H H 9.140 0.030 1 841 86 86 ASN HA H 4.692 0.030 1 842 86 86 ASN HB2 H 3.484 0.030 2 843 86 86 ASN HB3 H 2.872 0.030 2 844 86 86 ASN HD21 H 7.477 0.030 2 845 86 86 ASN HD22 H 7.197 0.030 2 846 86 86 ASN C C 175.197 0.300 1 847 86 86 ASN CA C 52.275 0.300 1 848 86 86 ASN CB C 39.064 0.300 1 849 86 86 ASN N N 121.333 0.300 1 850 86 86 ASN ND2 N 109.193 0.300 1 851 87 87 LYS H H 8.098 0.030 1 852 87 87 LYS HA H 4.099 0.030 1 853 87 87 LYS HB2 H 1.859 0.030 1 854 87 87 LYS HB3 H 1.859 0.030 1 855 87 87 LYS HD2 H 1.716 0.030 2 856 87 87 LYS HD3 H 1.670 0.030 2 857 87 87 LYS HE2 H 2.994 0.030 1 858 87 87 LYS HE3 H 2.994 0.030 1 859 87 87 LYS HG2 H 1.601 0.030 2 860 87 87 LYS HG3 H 1.479 0.030 2 861 87 87 LYS C C 177.853 0.300 1 862 87 87 LYS CA C 59.184 0.300 1 863 87 87 LYS CB C 32.328 0.300 1 864 87 87 LYS CD C 28.949 0.300 1 865 87 87 LYS CE C 42.034 0.300 1 866 87 87 LYS CG C 25.153 0.300 1 867 87 87 LYS N N 116.096 0.300 1 868 88 88 THR H H 7.759 0.030 1 869 88 88 THR HA H 4.063 0.030 1 870 88 88 THR HB H 4.091 0.030 1 871 88 88 THR HG2 H 1.097 0.030 1 872 88 88 THR C C 174.590 0.300 1 873 88 88 THR CA C 64.123 0.300 1 874 88 88 THR CB C 68.925 0.300 1 875 88 88 THR CG2 C 22.356 0.300 1 876 88 88 THR N N 113.708 0.300 1 877 89 89 GLY H H 7.807 0.030 1 878 89 89 GLY HA2 H 4.170 0.030 2 879 89 89 GLY HA3 H 4.016 0.030 2 880 89 89 GLY C C 170.722 0.300 1 881 89 89 GLY CA C 45.995 0.300 1 882 89 89 GLY N N 109.082 0.300 1 883 90 90 VAL H H 8.078 0.030 1 884 90 90 VAL HA H 5.026 0.030 1 885 90 90 VAL HB H 1.997 0.030 1 886 90 90 VAL HG1 H 0.905 0.030 1 887 90 90 VAL HG2 H 0.796 0.030 1 888 90 90 VAL C C 175.456 0.300 1 889 90 90 VAL CA C 59.076 0.300 1 890 90 90 VAL CB C 34.513 0.300 1 891 90 90 VAL CG1 C 21.449 0.300 2 892 90 90 VAL CG2 C 19.796 0.300 2 893 90 90 VAL N N 114.873 0.300 1 894 91 91 SER H H 9.164 0.030 1 895 91 91 SER HA H 4.461 0.030 1 896 91 91 SER HB2 H 4.187 0.030 2 897 91 91 SER HB3 H 3.447 0.030 2 898 91 91 SER C C 171.989 0.300 1 899 91 91 SER CA C 57.604 0.300 1 900 91 91 SER CB C 64.406 0.300 1 901 91 91 SER N N 120.812 0.300 1 902 92 92 PRO HA H 4.450 0.030 1 903 92 92 PRO HB2 H 2.430 0.030 2 904 92 92 PRO HB3 H 1.861 0.030 2 905 92 92 PRO HD2 H 3.747 0.030 2 906 92 92 PRO HD3 H 3.584 0.030 2 907 92 92 PRO HG2 H 1.982 0.030 2 908 92 92 PRO HG3 H 1.877 0.030 2 909 92 92 PRO C C 177.710 0.300 1 910 92 92 PRO CA C 62.470 0.300 1 911 92 92 PRO CB C 31.647 0.300 1 912 92 92 PRO CD C 50.460 0.300 1 913 92 92 PRO CG C 28.316 0.300 1 914 93 93 TYR H H 8.315 0.030 1 915 93 93 TYR HA H 4.345 0.030 1 916 93 93 TYR HB2 H 2.980 0.030 2 917 93 93 TYR HB3 H 2.584 0.030 2 918 93 93 TYR HD1 H 6.764 0.030 1 919 93 93 TYR HD2 H 6.764 0.030 1 920 93 93 TYR HE1 H 6.490 0.030 1 921 93 93 TYR HE2 H 6.490 0.030 1 922 93 93 TYR C C 177.143 0.300 1 923 93 93 TYR CA C 60.471 0.300 1 924 93 93 TYR CB C 39.746 0.300 1 925 93 93 TYR CD1 C 132.568 0.300 1 926 93 93 TYR CD2 C 132.568 0.300 1 927 93 93 TYR CE1 C 119.089 0.300 1 928 93 93 TYR CE2 C 119.089 0.300 1 929 93 93 TYR N N 119.579 0.300 1 930 94 94 SER H H 9.122 0.030 1 931 94 94 SER HA H 4.274 0.030 1 932 94 94 SER HB2 H 4.290 0.030 2 933 94 94 SER HB3 H 3.827 0.030 2 934 94 94 SER C C 173.599 0.300 1 935 94 94 SER CA C 58.003 0.300 1 936 94 94 SER CB C 66.536 0.300 1 937 94 94 SER N N 113.605 0.300 1 938 95 95 LYS H H 8.372 0.030 1 939 95 95 LYS HA H 4.215 0.030 1 940 95 95 LYS HB2 H 1.872 0.030 2 941 95 95 LYS HB3 H 1.826 0.030 2 942 95 95 LYS HD2 H 1.792 0.030 1 943 95 95 LYS HD3 H 1.792 0.030 1 944 95 95 LYS HE2 H 3.097 0.030 1 945 95 95 LYS HE3 H 3.097 0.030 1 946 95 95 LYS HG2 H 1.620 0.030 1 947 95 95 LYS HG3 H 1.620 0.030 1 948 95 95 LYS C C 178.328 0.300 1 949 95 95 LYS CA C 57.774 0.300 1 950 95 95 LYS CB C 32.640 0.300 1 951 95 95 LYS CD C 29.423 0.300 1 952 95 95 LYS CE C 42.237 0.300 1 953 95 95 LYS CG C 25.158 0.300 1 954 95 95 LYS N N 119.785 0.300 1 955 96 96 THR H H 8.758 0.030 1 956 96 96 THR HA H 4.425 0.030 1 957 96 96 THR HB H 4.046 0.030 1 958 96 96 THR HG2 H 1.248 0.030 1 959 96 96 THR CA C 63.223 0.300 1 960 96 96 THR CB C 69.271 0.300 1 961 96 96 THR CG2 C 23.739 0.300 1 962 96 96 THR N N 124.075 0.300 1 963 97 97 LEU H H 9.301 0.030 1 964 97 97 LEU HA H 4.625 0.030 1 965 97 97 LEU HB2 H 1.636 0.030 2 966 97 97 LEU HB3 H 1.424 0.030 2 967 97 97 LEU HD1 H 0.780 0.030 1 968 97 97 LEU HD2 H 0.972 0.030 1 969 97 97 LEU HG H 1.480 0.030 1 970 97 97 LEU C C 174.374 0.300 1 971 97 97 LEU CA C 53.789 0.300 1 972 97 97 LEU CB C 45.281 0.300 1 973 97 97 LEU CD1 C 26.984 0.300 2 974 97 97 LEU CD2 C 24.618 0.300 2 975 97 97 LEU CG C 27.219 0.300 1 976 97 97 LEU N N 131.212 0.300 1 977 98 98 VAL H H 8.336 0.030 1 978 98 98 VAL HA H 4.645 0.030 1 979 98 98 VAL HB H 1.910 0.030 1 980 98 98 VAL HG1 H 0.973 0.030 1 981 98 98 VAL HG2 H 0.828 0.030 1 982 98 98 VAL C C 175.609 0.300 1 983 98 98 VAL CA C 61.988 0.300 1 984 98 98 VAL CB C 32.379 0.300 1 985 98 98 VAL CG1 C 20.979 0.300 2 986 98 98 VAL CG2 C 21.501 0.300 2 987 98 98 VAL N N 127.079 0.300 1 988 99 99 LEU H H 9.328 0.030 1 989 99 99 LEU HA H 4.686 0.030 1 990 99 99 LEU HB2 H 1.539 0.030 2 991 99 99 LEU HB3 H 1.446 0.030 2 992 99 99 LEU HD1 H 0.889 0.030 1 993 99 99 LEU HD2 H 0.639 0.030 1 994 99 99 LEU HG H 1.605 0.030 1 995 99 99 LEU C C 174.251 0.300 1 996 99 99 LEU CA C 53.683 0.300 1 997 99 99 LEU CB C 44.238 0.300 1 998 99 99 LEU CD1 C 24.814 0.300 2 999 99 99 LEU CD2 C 25.837 0.300 2 1000 99 99 LEU CG C 26.806 0.300 1 1001 99 99 LEU N N 129.309 0.300 1 1002 100 100 GLN H H 8.617 0.030 1 1003 100 100 GLN HA H 5.330 0.030 1 1004 100 100 GLN HB2 H 2.060 0.030 2 1005 100 100 GLN HB3 H 1.947 0.030 2 1006 100 100 GLN HE21 H 7.444 0.030 2 1007 100 100 GLN HE22 H 6.431 0.030 2 1008 100 100 GLN HG2 H 2.381 0.030 2 1009 100 100 GLN HG3 H 2.267 0.030 2 1010 100 100 GLN C C 176.758 0.300 1 1011 100 100 GLN CA C 54.141 0.300 1 1012 100 100 GLN CB C 30.613 0.300 1 1013 100 100 GLN CG C 33.740 0.300 1 1014 100 100 GLN N N 123.059 0.300 1 1015 100 100 GLN NE2 N 111.434 0.300 1 1016 101 101 THR H H 9.172 0.030 1 1017 101 101 THR HA H 4.590 0.030 1 1018 101 101 THR HB H 4.573 0.030 1 1019 101 101 THR HG2 H 1.102 0.030 1 1020 101 101 THR C C 175.076 0.300 1 1021 101 101 THR CA C 60.489 0.300 1 1022 101 101 THR CB C 70.029 0.300 1 1023 101 101 THR CG2 C 23.189 0.300 1 1024 101 101 THR N N 116.434 0.300 1 1025 102 102 SER H H 8.292 0.030 1 1026 102 102 SER HA H 4.633 0.030 1 1027 102 102 SER HB2 H 4.061 0.030 2 1028 102 102 SER HB3 H 3.986 0.030 2 1029 102 102 SER C C 174.231 0.300 1 1030 102 102 SER CA C 57.967 0.300 1 1031 102 102 SER CB C 64.390 0.300 1 1032 102 102 SER N N 115.635 0.300 1 1033 103 103 GLU H H 8.624 0.030 1 1034 103 103 GLU HA H 4.215 0.030 1 1035 103 103 GLU HB2 H 2.008 0.030 2 1036 103 103 GLU HB3 H 1.921 0.030 2 1037 103 103 GLU HG2 H 2.220 0.030 1 1038 103 103 GLU HG3 H 2.220 0.030 1 1039 103 103 GLU C C 176.914 0.300 1 1040 103 103 GLU CA C 57.385 0.300 1 1041 103 103 GLU CB C 30.391 0.300 1 1042 103 103 GLU CG C 36.285 0.300 1 1043 103 103 GLU N N 121.042 0.300 1 1044 104 104 GLY H H 8.149 0.030 1 1045 104 104 GLY HA2 H 3.533 0.030 2 1046 104 104 GLY HA3 H 3.488 0.030 2 1047 104 104 GLY C C 173.560 0.300 1 1048 104 104 GLY CA C 44.955 0.300 1 1049 104 104 GLY N N 109.018 0.300 1 1050 105 105 SER H H 8.061 0.030 1 1051 105 105 SER HA H 4.431 0.030 1 1052 105 105 SER HB2 H 3.790 0.030 1 1053 105 105 SER HB3 H 3.790 0.030 1 1054 105 105 SER C C 174.585 0.300 1 1055 105 105 SER CA C 58.109 0.300 1 1056 105 105 SER CB C 64.101 0.300 1 1057 105 105 SER N N 115.025 0.300 1 1058 106 106 GLY H H 8.283 0.030 1 1059 106 106 GLY HA2 H 4.124 0.030 2 1060 106 106 GLY HA3 H 4.070 0.030 2 1061 106 106 GLY C C 171.819 0.300 1 1062 106 106 GLY CA C 44.655 0.300 1 1063 106 106 GLY N N 110.697 0.300 1 1064 107 107 PRO HA H 4.484 0.030 1 1065 107 107 PRO HB2 H 2.265 0.030 2 1066 107 107 PRO HB3 H 1.950 0.030 2 1067 107 107 PRO HD2 H 3.614 0.030 1 1068 107 107 PRO HD3 H 3.614 0.030 1 1069 107 107 PRO HG2 H 2.005 0.030 1 1070 107 107 PRO HG3 H 2.005 0.030 1 1071 107 107 PRO CA C 63.222 0.300 1 1072 107 107 PRO CB C 32.186 0.300 1 1073 107 107 PRO CD C 49.813 0.300 1 1074 107 107 PRO CG C 27.287 0.300 1 1075 108 108 SER HA H 4.510 0.030 1 1076 108 108 SER HB2 H 3.881 0.030 2 1077 108 108 SER CA C 58.290 0.300 1 1078 108 108 SER CB C 64.142 0.300 1 1079 109 109 SER H H 8.066 0.030 1 1080 109 109 SER HA H 4.506 0.030 1 1081 109 109 SER HB2 H 3.834 0.030 2 1082 109 109 SER HB3 H 3.783 0.030 2 1083 109 109 SER CA C 58.359 0.300 1 1084 109 109 SER CB C 64.086 0.300 1 1085 109 109 SER N N 116.942 0.300 1 stop_ save_