data_10067 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of The FHA Domain of Arabidopsis thaliana Hypothetical Protein ; _BMRB_accession_number 10067 _BMRB_flat_file_name bmr10067.str _Entry_type original _Submission_date 2006-12-25 _Accession_date 2006-12-26 _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 Tomizawa T. . . 2 Inoue M. . . 3 Koshiba S. . . 4 Hayashi F. . . 5 Shirouzu M. . . 6 Terada T. . . 7 Yabuki T. . . 8 Aoki M. . . 9 Matsuda T. . . 10 Seki E. . . 11 Hirota H. . . 12 Yoshida M. . . 13 Tanaka A. . . 14 Osanai T. . . 15 Shinozaki K. . . 16 Seki M. . . 17 Kigawa T. . . 18 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" 619 "13C chemical shifts" 473 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of The FHA Domain of Arabidopsis thaliana Hypothetical Protein' _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 Tomizawa T. . . 2 Inoue M. . . 3 Koshiba S. . . 4 Hayashi F. . . 5 Shirouzu M. . . 6 Terada T. . . 7 Yabuki T. . . 8 Aoki M. . . 9 Matsuda T. . . 10 Seki E. . . 11 Hirota H. . . 12 Yoshida M. . . 13 Tanaka A. . . 14 Osanai T. . . 15 Shinozaki K. . . 16 Seki M. . . 17 Kigawa T. . . 18 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 'expressed protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'expressed protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Forkhead Associated Domain, FHA domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GSSGSSGMVTPSLRLVFVKG PREGDALDYKPGSTIRVGRI VRGNEIAIKDAGISTKHLRI ESDSGNWVIQDLGSSNGTLL NSNALDPETSVNLGDGDVIK LGEYTSILVNFVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 VAL 10 THR 11 PRO 12 SER 13 LEU 14 ARG 15 LEU 16 VAL 17 PHE 18 VAL 19 LYS 20 GLY 21 PRO 22 ARG 23 GLU 24 GLY 25 ASP 26 ALA 27 LEU 28 ASP 29 TYR 30 LYS 31 PRO 32 GLY 33 SER 34 THR 35 ILE 36 ARG 37 VAL 38 GLY 39 ARG 40 ILE 41 VAL 42 ARG 43 GLY 44 ASN 45 GLU 46 ILE 47 ALA 48 ILE 49 LYS 50 ASP 51 ALA 52 GLY 53 ILE 54 SER 55 THR 56 LYS 57 HIS 58 LEU 59 ARG 60 ILE 61 GLU 62 SER 63 ASP 64 SER 65 GLY 66 ASN 67 TRP 68 VAL 69 ILE 70 GLN 71 ASP 72 LEU 73 GLY 74 SER 75 SER 76 ASN 77 GLY 78 THR 79 LEU 80 LEU 81 ASN 82 SER 83 ASN 84 ALA 85 LEU 86 ASP 87 PRO 88 GLU 89 THR 90 SER 91 VAL 92 ASN 93 LEU 94 GLY 95 ASP 96 GLY 97 ASP 98 VAL 99 ILE 100 LYS 101 LEU 102 GLY 103 GLU 104 TYR 105 THR 106 SER 107 ILE 108 LEU 109 VAL 110 ASN 111 PHE 112 VAL 113 SER 114 GLY 115 PRO 116 SER 117 SER 118 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1UHT "Solution Structure Of The Fha Domain Of Arabidopsis Thaliana Hypothetical Protein" 100.00 118 100.00 100.00 2.77e-75 EMBL CAB10228 "hypothetical protein [Arabidopsis thaliana]" 88.98 386 100.00 100.00 2.62e-66 EMBL CAB78491 "hypothetical protein [Arabidopsis thaliana]" 88.98 386 100.00 100.00 2.62e-66 GB AAM20599 "unknown protein [Arabidopsis thaliana]" 88.98 386 100.00 100.00 2.62e-66 GB AAM91265 "unknown protein [Arabidopsis thaliana]" 88.98 386 100.00 100.00 2.62e-66 GB AEE83450 "SMAD/FHA domain-containing protein [Arabidopsis thaliana]" 88.98 386 100.00 100.00 2.62e-66 REF NP_193185 "SMAD/FHA domain-containing protein [Arabidopsis thaliana]" 88.98 386 100.00 100.00 2.62e-66 SP O23305 "RecName: Full=FHA domain-containing protein At4g14490" 88.98 386 100.00 100.00 2.62e-66 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 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 P021218-71 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 1.09 mM '[U-13C; U-15N]' Tris-HCl 20 mM . NaCl 100 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _BMRB_pulse_sequence_accession_number . _Details . 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 7.5 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _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 'expressed protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.954 0.030 1 2 7 7 GLY HA3 H 3.954 0.030 1 3 7 7 GLY C C 173.879 0.300 1 4 7 7 GLY CA C 45.314 0.300 1 5 8 8 MET H H 8.112 0.030 1 6 8 8 MET HA H 4.482 0.030 1 7 8 8 MET HB2 H 1.955 0.030 2 8 8 8 MET HB3 H 2.027 0.030 2 9 8 8 MET HG2 H 2.483 0.030 2 10 8 8 MET HG3 H 2.540 0.030 2 11 8 8 MET HE H 2.086 0.030 1 12 8 8 MET C C 175.973 0.300 1 13 8 8 MET CA C 55.440 0.300 1 14 8 8 MET CB C 33.206 0.300 1 15 8 8 MET CG C 31.926 0.300 1 16 8 8 MET CE C 17.013 0.300 1 17 8 8 MET N N 120.019 0.300 1 18 9 9 VAL H H 8.250 0.030 1 19 9 9 VAL HA H 4.158 0.030 1 20 9 9 VAL HB H 2.031 0.030 1 21 9 9 VAL HG1 H 0.890 0.030 1 22 9 9 VAL HG2 H 0.918 0.030 1 23 9 9 VAL C C 175.888 0.300 1 24 9 9 VAL CA C 61.955 0.300 1 25 9 9 VAL CB C 32.908 0.300 1 26 9 9 VAL CG1 C 21.165 0.300 2 27 9 9 VAL CG2 C 20.627 0.300 2 28 9 9 VAL N N 122.513 0.300 1 29 10 10 THR H H 8.279 0.030 1 30 10 10 THR HA H 4.451 0.030 1 31 10 10 THR HB H 3.841 0.030 1 32 10 10 THR HG2 H 0.976 0.030 1 33 10 10 THR C C 171.920 0.300 1 34 10 10 THR CA C 60.404 0.300 1 35 10 10 THR CB C 69.955 0.300 1 36 10 10 THR CG2 C 20.619 0.300 1 37 10 10 THR N N 123.594 0.300 1 38 11 11 PRO HA H 4.637 0.030 1 39 11 11 PRO HB2 H 1.880 0.030 2 40 11 11 PRO HB3 H 2.215 0.030 2 41 11 11 PRO HG2 H 1.487 0.030 2 42 11 11 PRO HG3 H 1.799 0.030 2 43 11 11 PRO HD2 H 3.634 0.030 2 44 11 11 PRO HD3 H 3.781 0.030 2 45 11 11 PRO C C 178.415 0.300 1 46 11 11 PRO CA C 62.927 0.300 1 47 11 11 PRO CB C 32.460 0.300 1 48 11 11 PRO CG C 26.951 0.300 1 49 11 11 PRO CD C 50.934 0.300 1 50 12 12 SER H H 8.515 0.030 1 51 12 12 SER HA H 4.801 0.030 1 52 12 12 SER HB2 H 3.858 0.030 1 53 12 12 SER HB3 H 3.858 0.030 1 54 12 12 SER C C 171.605 0.300 1 55 12 12 SER CA C 60.477 0.300 1 56 12 12 SER CB C 63.820 0.300 1 57 12 12 SER N N 116.684 0.300 1 58 13 13 LEU H H 8.610 0.030 1 59 13 13 LEU HA H 4.487 0.030 1 60 13 13 LEU HB2 H 0.850 0.030 1 61 13 13 LEU HB3 H 0.850 0.030 1 62 13 13 LEU HG H 0.842 0.030 1 63 13 13 LEU HD1 H 0.256 0.030 1 64 13 13 LEU HD2 H -0.045 0.030 1 65 13 13 LEU C C 174.423 0.300 1 66 13 13 LEU CA C 53.552 0.300 1 67 13 13 LEU CB C 44.250 0.300 1 68 13 13 LEU CG C 26.562 0.300 1 69 13 13 LEU CD1 C 24.137 0.300 2 70 13 13 LEU CD2 C 26.529 0.300 2 71 13 13 LEU N N 124.672 0.300 1 72 14 14 ARG H H 9.134 0.030 1 73 14 14 ARG HA H 5.381 0.030 1 74 14 14 ARG HB2 H 1.499 0.030 2 75 14 14 ARG HB3 H 1.632 0.030 2 76 14 14 ARG HG2 H 1.213 0.030 2 77 14 14 ARG HG3 H 1.413 0.030 2 78 14 14 ARG HD2 H 2.913 0.030 2 79 14 14 ARG HD3 H 3.008 0.030 2 80 14 14 ARG HE H 8.587 0.030 1 81 14 14 ARG C C 174.486 0.300 1 82 14 14 ARG CA C 54.282 0.300 1 83 14 14 ARG CB C 33.241 0.300 1 84 14 14 ARG CG C 26.412 0.300 1 85 14 14 ARG CD C 43.402 0.300 1 86 14 14 ARG N N 128.712 0.300 1 87 14 14 ARG NE N 85.928 0.300 1 88 15 15 LEU H H 9.114 0.030 1 89 15 15 LEU HA H 4.898 0.030 1 90 15 15 LEU HB2 H 0.791 0.030 2 91 15 15 LEU HB3 H 1.730 0.030 2 92 15 15 LEU HG H 1.452 0.030 1 93 15 15 LEU HD1 H 0.569 0.030 1 94 15 15 LEU HD2 H 0.604 0.030 1 95 15 15 LEU C C 175.077 0.300 1 96 15 15 LEU CA C 52.493 0.300 1 97 15 15 LEU CB C 42.972 0.300 1 98 15 15 LEU CG C 26.492 0.300 1 99 15 15 LEU CD1 C 23.396 0.300 2 100 15 15 LEU CD2 C 25.359 0.300 2 101 15 15 LEU N N 126.777 0.300 1 102 16 16 VAL H H 8.961 0.030 1 103 16 16 VAL HA H 4.629 0.030 1 104 16 16 VAL HB H 1.963 0.030 1 105 16 16 VAL HG1 H 0.794 0.030 1 106 16 16 VAL HG2 H 0.794 0.030 1 107 16 16 VAL C C 176.087 0.300 1 108 16 16 VAL CA C 60.790 0.300 1 109 16 16 VAL CB C 34.204 0.300 1 110 16 16 VAL CG1 C 20.832 0.300 1 111 16 16 VAL CG2 C 20.832 0.300 1 112 16 16 VAL N N 122.618 0.300 1 113 17 17 PHE H H 9.217 0.030 1 114 17 17 PHE HA H 4.534 0.030 1 115 17 17 PHE HB2 H 2.367 0.030 2 116 17 17 PHE HB3 H 3.417 0.030 2 117 17 17 PHE HD1 H 7.283 0.030 1 118 17 17 PHE HD2 H 7.283 0.030 1 119 17 17 PHE HE1 H 7.008 0.030 1 120 17 17 PHE HE2 H 7.008 0.030 1 121 17 17 PHE HZ H 6.936 0.030 1 122 17 17 PHE C C 176.556 0.300 1 123 17 17 PHE CA C 58.952 0.300 1 124 17 17 PHE CB C 39.211 0.300 1 125 17 17 PHE CD1 C 132.774 0.300 1 126 17 17 PHE CD2 C 132.774 0.300 1 127 17 17 PHE CE1 C 130.024 0.300 1 128 17 17 PHE CE2 C 130.024 0.300 1 129 17 17 PHE CZ C 127.764 0.300 1 130 17 17 PHE N N 126.643 0.300 1 131 18 18 VAL H H 8.353 0.030 1 132 18 18 VAL HA H 4.451 0.030 1 133 18 18 VAL HB H 2.260 0.030 1 134 18 18 VAL HG1 H 0.945 0.030 1 135 18 18 VAL HG2 H 0.785 0.030 1 136 18 18 VAL C C 175.355 0.300 1 137 18 18 VAL CA C 62.257 0.300 1 138 18 18 VAL CB C 32.796 0.300 1 139 18 18 VAL CG1 C 22.324 0.300 2 140 18 18 VAL CG2 C 19.599 0.300 2 141 18 18 VAL N N 122.384 0.300 1 142 19 19 LYS H H 7.834 0.030 1 143 19 19 LYS HA H 4.815 0.030 1 144 19 19 LYS HB2 H 1.801 0.030 2 145 19 19 LYS HB3 H 2.087 0.030 2 146 19 19 LYS HG2 H 1.568 0.030 1 147 19 19 LYS HG3 H 1.568 0.030 1 148 19 19 LYS HD2 H 1.862 0.030 2 149 19 19 LYS HD3 H 1.750 0.030 2 150 19 19 LYS HE2 H 3.035 0.030 2 151 19 19 LYS HE3 H 3.000 0.030 2 152 19 19 LYS C C 176.856 0.300 1 153 19 19 LYS CA C 55.454 0.300 1 154 19 19 LYS CB C 38.136 0.300 1 155 19 19 LYS CG C 25.287 0.300 1 156 19 19 LYS CD C 28.820 0.300 1 157 19 19 LYS CE C 42.349 0.300 1 158 19 19 LYS N N 117.583 0.300 1 159 20 20 GLY H H 9.268 0.030 1 160 20 20 GLY HA2 H 4.466 0.030 2 161 20 20 GLY HA3 H 3.636 0.030 2 162 20 20 GLY C C 176.903 0.300 1 163 20 20 GLY CA C 45.636 0.300 1 164 20 20 GLY N N 113.071 0.300 1 165 21 21 PRO HA H 4.317 0.030 1 166 21 21 PRO HB2 H 1.781 0.030 2 167 21 21 PRO HB3 H 2.371 0.030 2 168 21 21 PRO HG2 H 1.736 0.030 2 169 21 21 PRO HG3 H 1.992 0.030 2 170 21 21 PRO HD2 H 3.614 0.030 2 171 21 21 PRO HD3 H 3.390 0.030 2 172 21 21 PRO C C 177.505 0.300 1 173 21 21 PRO CA C 64.724 0.300 1 174 21 21 PRO CB C 32.234 0.300 1 175 21 21 PRO CG C 27.332 0.300 1 176 21 21 PRO CD C 49.430 0.300 1 177 22 22 ARG H H 8.003 0.030 1 178 22 22 ARG HA H 4.336 0.030 1 179 22 22 ARG HB2 H 0.611 0.030 2 180 22 22 ARG HB3 H 1.623 0.030 2 181 22 22 ARG HG2 H 1.210 0.030 2 182 22 22 ARG HG3 H 1.356 0.030 2 183 22 22 ARG HD2 H 3.242 0.030 2 184 22 22 ARG HD3 H 2.124 0.030 2 185 22 22 ARG HE H 7.722 0.030 1 186 22 22 ARG C C 173.632 0.300 1 187 22 22 ARG CA C 55.160 0.300 1 188 22 22 ARG CB C 29.282 0.300 1 189 22 22 ARG CG C 27.694 0.300 1 190 22 22 ARG CD C 42.799 0.300 1 191 22 22 ARG N N 114.636 0.300 1 192 22 22 ARG NE N 84.486 0.300 1 193 23 23 GLU H H 7.495 0.030 1 194 23 23 GLU HA H 3.416 0.030 1 195 23 23 GLU HB2 H 2.153 0.030 2 196 23 23 GLU HB3 H 1.847 0.030 2 197 23 23 GLU HG2 H 2.059 0.030 1 198 23 23 GLU HG3 H 2.059 0.030 1 199 23 23 GLU C C 176.442 0.300 1 200 23 23 GLU CA C 58.835 0.300 1 201 23 23 GLU CB C 29.271 0.300 1 202 23 23 GLU CG C 35.326 0.300 1 203 23 23 GLU N N 119.067 0.300 1 204 24 24 GLY H H 8.557 0.030 1 205 24 24 GLY HA2 H 3.654 0.030 2 206 24 24 GLY HA3 H 4.591 0.030 2 207 24 24 GLY C C 174.770 0.300 1 208 24 24 GLY CA C 44.783 0.300 1 209 24 24 GLY N N 115.959 0.300 1 210 25 25 ASP H H 8.594 0.030 1 211 25 25 ASP HA H 4.650 0.030 1 212 25 25 ASP HB2 H 2.894 0.030 2 213 25 25 ASP HB3 H 2.498 0.030 2 214 25 25 ASP C C 174.763 0.300 1 215 25 25 ASP CA C 55.302 0.300 1 216 25 25 ASP CB C 41.190 0.300 1 217 25 25 ASP N N 123.372 0.300 1 218 26 26 ALA H H 8.264 0.030 1 219 26 26 ALA HA H 5.623 0.030 1 220 26 26 ALA HB H 1.270 0.030 1 221 26 26 ALA C C 176.315 0.300 1 222 26 26 ALA CA C 51.228 0.300 1 223 26 26 ALA CB C 21.965 0.300 1 224 26 26 ALA N N 122.901 0.300 1 225 27 27 LEU H H 9.017 0.030 1 226 27 27 LEU HA H 4.681 0.030 1 227 27 27 LEU HB2 H 1.696 0.030 2 228 27 27 LEU HB3 H 1.648 0.030 2 229 27 27 LEU HG H 1.672 0.030 1 230 27 27 LEU HD1 H 1.136 0.030 1 231 27 27 LEU HD2 H 1.001 0.030 1 232 27 27 LEU C C 174.031 0.300 1 233 27 27 LEU CA C 54.181 0.300 1 234 27 27 LEU CB C 46.748 0.300 1 235 27 27 LEU CG C 27.829 0.300 1 236 27 27 LEU CD1 C 26.459 0.300 2 237 27 27 LEU CD2 C 23.985 0.300 2 238 27 27 LEU N N 124.740 0.300 1 239 28 28 ASP H H 7.890 0.030 1 240 28 28 ASP HA H 5.535 0.030 1 241 28 28 ASP HB2 H 2.332 0.030 1 242 28 28 ASP HB3 H 2.332 0.030 1 243 28 28 ASP C C 175.803 0.300 1 244 28 28 ASP CA C 53.270 0.300 1 245 28 28 ASP CB C 43.617 0.300 1 246 28 28 ASP N N 120.511 0.300 1 247 29 29 TYR H H 9.325 0.030 1 248 29 29 TYR HA H 4.661 0.030 1 249 29 29 TYR HB2 H 2.374 0.030 2 250 29 29 TYR HB3 H 3.043 0.030 2 251 29 29 TYR HD1 H 6.871 0.030 1 252 29 29 TYR HD2 H 6.871 0.030 1 253 29 29 TYR HE1 H 6.619 0.030 1 254 29 29 TYR HE2 H 6.619 0.030 1 255 29 29 TYR C C 174.678 0.300 1 256 29 29 TYR CA C 58.106 0.300 1 257 29 29 TYR CB C 42.941 0.300 1 258 29 29 TYR CD1 C 133.011 0.300 1 259 29 29 TYR CD2 C 133.011 0.300 1 260 29 29 TYR CE1 C 117.928 0.300 1 261 29 29 TYR CE2 C 117.928 0.300 1 262 29 29 TYR N N 119.478 0.300 1 263 30 30 LYS H H 8.643 0.030 1 264 30 30 LYS HA H 4.922 0.030 1 265 30 30 LYS HB2 H 1.819 0.030 2 266 30 30 LYS HB3 H 1.930 0.030 2 267 30 30 LYS HG2 H 1.585 0.030 1 268 30 30 LYS HG3 H 1.585 0.030 1 269 30 30 LYS HD2 H 1.750 0.030 1 270 30 30 LYS HD3 H 1.750 0.030 1 271 30 30 LYS HE2 H 3.037 0.030 1 272 30 30 LYS HE3 H 3.037 0.030 1 273 30 30 LYS C C 175.579 0.300 1 274 30 30 LYS CA C 54.345 0.300 1 275 30 30 LYS CB C 31.596 0.300 1 276 30 30 LYS CG C 24.874 0.300 1 277 30 30 LYS CD C 29.202 0.300 1 278 30 30 LYS CE C 42.083 0.300 1 279 30 30 LYS N N 121.230 0.300 1 280 31 31 PRO HA H 4.214 0.030 1 281 31 31 PRO HB2 H 1.783 0.030 2 282 31 31 PRO HB3 H 1.995 0.030 2 283 31 31 PRO HG2 H 1.901 0.030 2 284 31 31 PRO HG3 H 2.060 0.030 2 285 31 31 PRO HD2 H 3.646 0.030 2 286 31 31 PRO HD3 H 4.154 0.030 2 287 31 31 PRO C C 176.325 0.300 1 288 31 31 PRO CA C 64.624 0.300 1 289 31 31 PRO CB C 31.701 0.300 1 290 31 31 PRO CG C 28.175 0.300 1 291 31 31 PRO CD C 51.000 0.300 1 292 32 32 GLY H H 8.084 0.030 1 293 32 32 GLY HA2 H 3.500 0.030 2 294 32 32 GLY HA3 H 4.328 0.030 2 295 32 32 GLY C C 175.016 0.300 1 296 32 32 GLY CA C 44.858 0.300 1 297 32 32 GLY N N 111.782 0.300 1 298 33 33 SER H H 7.499 0.030 1 299 33 33 SER HA H 4.688 0.030 1 300 33 33 SER HB2 H 4.077 0.030 1 301 33 33 SER HB3 H 4.077 0.030 1 302 33 33 SER C C 172.302 0.300 1 303 33 33 SER CA C 60.197 0.300 1 304 33 33 SER CB C 64.594 0.300 1 305 33 33 SER N N 116.181 0.300 1 306 34 34 THR H H 8.300 0.030 1 307 34 34 THR HA H 4.720 0.030 1 308 34 34 THR HB H 3.937 0.030 1 309 34 34 THR HG2 H 1.160 0.030 1 310 34 34 THR C C 173.320 0.300 1 311 34 34 THR CA C 62.942 0.300 1 312 34 34 THR CB C 70.181 0.300 1 313 34 34 THR CG2 C 21.492 0.300 1 314 34 34 THR N N 119.769 0.300 1 315 35 35 ILE H H 9.390 0.030 1 316 35 35 ILE HA H 4.082 0.030 1 317 35 35 ILE HB H 1.629 0.030 1 318 35 35 ILE HG12 H -0.379 0.030 2 319 35 35 ILE HG13 H 0.726 0.030 2 320 35 35 ILE HG2 H 0.352 0.030 1 321 35 35 ILE HD1 H 0.173 0.030 1 322 35 35 ILE C C 174.543 0.300 1 323 35 35 ILE CA C 61.186 0.300 1 324 35 35 ILE CB C 40.400 0.300 1 325 35 35 ILE CG1 C 26.751 0.300 1 326 35 35 ILE CG2 C 19.514 0.300 1 327 35 35 ILE CD1 C 17.580 0.300 1 328 35 35 ILE N N 126.779 0.300 1 329 36 36 ARG H H 10.160 0.030 1 330 36 36 ARG HA H 4.886 0.030 1 331 36 36 ARG HB2 H 2.555 0.030 2 332 36 36 ARG HB3 H 2.261 0.030 2 333 36 36 ARG HG2 H 1.822 0.030 2 334 36 36 ARG HG3 H 1.545 0.030 2 335 36 36 ARG HD2 H 3.279 0.030 1 336 36 36 ARG HD3 H 3.279 0.030 1 337 36 36 ARG C C 176.130 0.300 1 338 36 36 ARG CA C 56.109 0.300 1 339 36 36 ARG CB C 30.146 0.300 1 340 36 36 ARG CG C 27.423 0.300 1 341 36 36 ARG CD C 43.168 0.300 1 342 36 36 ARG N N 130.305 0.300 1 343 37 37 VAL H H 8.704 0.030 1 344 37 37 VAL HA H 5.159 0.030 1 345 37 37 VAL HB H 1.824 0.030 1 346 37 37 VAL HG1 H 0.775 0.030 1 347 37 37 VAL HG2 H 0.775 0.030 1 348 37 37 VAL C C 175.596 0.300 1 349 37 37 VAL CA C 60.073 0.300 1 350 37 37 VAL CB C 34.391 0.300 1 351 37 37 VAL CG1 C 21.406 0.300 1 352 37 37 VAL CG2 C 21.406 0.300 1 353 37 37 VAL N N 123.865 0.300 1 354 38 38 GLY H H 8.556 0.030 1 355 38 38 GLY HA2 H 4.155 0.030 2 356 38 38 GLY HA3 H 4.338 0.030 2 357 38 38 GLY C C 171.662 0.300 1 358 38 38 GLY CA C 46.131 0.300 1 359 38 38 GLY N N 113.922 0.300 1 360 39 39 ARG H H 7.978 0.030 1 361 39 39 ARG HA H 4.858 0.030 1 362 39 39 ARG HB2 H 1.810 0.030 2 363 39 39 ARG HB3 H 1.395 0.030 2 364 39 39 ARG HG2 H 1.699 0.030 2 365 39 39 ARG HG3 H 1.888 0.030 2 366 39 39 ARG HD2 H 3.340 0.030 2 367 39 39 ARG HD3 H 3.521 0.030 2 368 39 39 ARG C C 175.675 0.300 1 369 39 39 ARG CA C 56.615 0.300 1 370 39 39 ARG CB C 32.590 0.300 1 371 39 39 ARG CG C 27.970 0.300 1 372 39 39 ARG CD C 43.450 0.300 1 373 39 39 ARG N N 120.777 0.300 1 374 40 40 ILE H H 6.640 0.030 1 375 40 40 ILE HA H 4.765 0.030 1 376 40 40 ILE HB H 2.127 0.030 1 377 40 40 ILE HG12 H 0.925 0.030 2 378 40 40 ILE HG13 H 1.572 0.030 2 379 40 40 ILE HG2 H 0.924 0.030 1 380 40 40 ILE HD1 H 0.929 0.030 1 381 40 40 ILE C C 175.204 0.300 1 382 40 40 ILE CA C 58.480 0.300 1 383 40 40 ILE CB C 40.734 0.300 1 384 40 40 ILE CG1 C 24.873 0.300 1 385 40 40 ILE CG2 C 18.124 0.300 1 386 40 40 ILE CD1 C 14.249 0.300 1 387 40 40 ILE N N 104.973 0.300 1 388 41 41 VAL H H 8.173 0.030 1 389 41 41 VAL HA H 3.698 0.030 1 390 41 41 VAL HB H 1.980 0.030 1 391 41 41 VAL HG1 H 0.947 0.030 1 392 41 41 VAL HG2 H 0.981 0.030 1 393 41 41 VAL C C 177.396 0.300 1 394 41 41 VAL CA C 65.127 0.300 1 395 41 41 VAL CB C 32.245 0.300 1 396 41 41 VAL CG1 C 21.107 0.300 2 397 41 41 VAL CG2 C 22.034 0.300 2 398 41 41 VAL N N 119.797 0.300 1 399 42 42 ARG H H 7.597 0.030 1 400 42 42 ARG HA H 4.042 0.030 1 401 42 42 ARG HB2 H 1.721 0.030 1 402 42 42 ARG HB3 H 1.721 0.030 1 403 42 42 ARG HG2 H 1.623 0.030 2 404 42 42 ARG HG3 H 1.488 0.030 2 405 42 42 ARG HD2 H 3.185 0.030 1 406 42 42 ARG HD3 H 3.185 0.030 1 407 42 42 ARG C C 176.279 0.300 1 408 42 42 ARG CA C 57.919 0.300 1 409 42 42 ARG CB C 29.589 0.300 1 410 42 42 ARG CG C 27.038 0.300 1 411 42 42 ARG CD C 43.472 0.300 1 412 42 42 ARG N N 119.772 0.300 1 413 43 43 GLY H H 8.588 0.030 1 414 43 43 GLY HA2 H 3.573 0.030 2 415 43 43 GLY HA3 H 3.969 0.030 2 416 43 43 GLY C C 172.584 0.300 1 417 43 43 GLY CA C 45.370 0.300 1 418 43 43 GLY N N 113.596 0.300 1 419 44 44 ASN H H 7.600 0.030 1 420 44 44 ASN HA H 5.126 0.030 1 421 44 44 ASN HB2 H 2.468 0.030 2 422 44 44 ASN HB3 H 2.371 0.030 2 423 44 44 ASN HD21 H 8.094 0.030 2 424 44 44 ASN HD22 H 7.075 0.030 2 425 44 44 ASN C C 174.539 0.300 1 426 44 44 ASN CA C 52.590 0.300 1 427 44 44 ASN CB C 41.502 0.300 1 428 44 44 ASN N N 115.734 0.300 1 429 44 44 ASN ND2 N 112.819 0.300 1 430 45 45 GLU H H 8.647 0.030 1 431 45 45 GLU HA H 4.376 0.030 1 432 45 45 GLU HB2 H 2.398 0.030 2 433 45 45 GLU HB3 H 2.228 0.030 2 434 45 45 GLU HG2 H 2.968 0.030 2 435 45 45 GLU HG3 H 2.512 0.030 2 436 45 45 GLU C C 177.491 0.300 1 437 45 45 GLU CA C 60.221 0.300 1 438 45 45 GLU CB C 31.065 0.300 1 439 45 45 GLU CG C 39.791 0.300 1 440 45 45 GLU N N 123.381 0.300 1 441 46 46 ILE H H 8.058 0.030 1 442 46 46 ILE HA H 4.158 0.030 1 443 46 46 ILE HB H 1.765 0.030 1 444 46 46 ILE HG12 H 1.067 0.030 2 445 46 46 ILE HG13 H 1.477 0.030 2 446 46 46 ILE HG2 H 0.863 0.030 1 447 46 46 ILE HD1 H 0.814 0.030 1 448 46 46 ILE C C 172.650 0.300 1 449 46 46 ILE CA C 61.165 0.300 1 450 46 46 ILE CB C 40.667 0.300 1 451 46 46 ILE CG1 C 27.030 0.300 1 452 46 46 ILE CG2 C 17.738 0.300 1 453 46 46 ILE CD1 C 14.847 0.300 1 454 46 46 ILE N N 117.527 0.300 1 455 47 47 ALA H H 8.309 0.030 1 456 47 47 ALA HA H 5.169 0.030 1 457 47 47 ALA HB H 0.980 0.030 1 458 47 47 ALA C C 178.115 0.300 1 459 47 47 ALA CA C 49.371 0.300 1 460 47 47 ALA CB C 20.621 0.300 1 461 47 47 ALA N N 129.750 0.300 1 462 48 48 ILE H H 8.360 0.030 1 463 48 48 ILE HA H 4.056 0.030 1 464 48 48 ILE HB H 1.682 0.030 1 465 48 48 ILE HG12 H 0.683 0.030 2 466 48 48 ILE HG13 H 1.506 0.030 2 467 48 48 ILE HG2 H 0.782 0.030 1 468 48 48 ILE HD1 H 0.863 0.030 1 469 48 48 ILE C C 174.999 0.300 1 470 48 48 ILE CA C 60.195 0.300 1 471 48 48 ILE CB C 40.896 0.300 1 472 48 48 ILE CG1 C 27.556 0.300 1 473 48 48 ILE CG2 C 19.112 0.300 1 474 48 48 ILE CD1 C 16.360 0.300 1 475 48 48 ILE N N 122.883 0.300 1 476 49 49 LYS H H 9.010 0.030 1 477 49 49 LYS HA H 4.288 0.030 1 478 49 49 LYS HB2 H 1.637 0.030 2 479 49 49 LYS HB3 H 1.852 0.030 2 480 49 49 LYS HG2 H 1.407 0.030 1 481 49 49 LYS HG3 H 1.407 0.030 1 482 49 49 LYS HD2 H 1.632 0.030 2 483 49 49 LYS HD3 H 1.854 0.030 2 484 49 49 LYS HE2 H 2.996 0.030 1 485 49 49 LYS HE3 H 2.996 0.030 1 486 49 49 LYS C C 174.166 0.300 1 487 49 49 LYS CA C 56.201 0.300 1 488 49 49 LYS CB C 29.988 0.300 1 489 49 49 LYS CG C 25.050 0.300 1 490 49 49 LYS CD C 29.997 0.300 1 491 49 49 LYS CE C 42.143 0.300 1 492 49 49 LYS N N 128.844 0.300 1 493 50 50 ASP H H 7.959 0.030 1 494 50 50 ASP HA H 4.815 0.030 1 495 50 50 ASP HB2 H 2.181 0.030 2 496 50 50 ASP HB3 H 2.727 0.030 2 497 50 50 ASP C C 176.286 0.300 1 498 50 50 ASP CA C 52.240 0.300 1 499 50 50 ASP CB C 44.502 0.300 1 500 50 50 ASP N N 126.239 0.300 1 501 51 51 ALA H H 8.859 0.030 1 502 51 51 ALA HA H 4.064 0.030 1 503 51 51 ALA HB H 1.471 0.030 1 504 51 51 ALA C C 178.548 0.300 1 505 51 51 ALA CA C 54.438 0.300 1 506 51 51 ALA CB C 18.908 0.300 1 507 51 51 ALA N N 127.347 0.300 1 508 52 52 GLY H H 8.997 0.030 1 509 52 52 GLY HA2 H 4.240 0.030 2 510 52 52 GLY HA3 H 3.597 0.030 2 511 52 52 GLY C C 174.102 0.300 1 512 52 52 GLY CA C 45.594 0.300 1 513 52 52 GLY N N 103.786 0.300 1 514 53 53 ILE H H 8.094 0.030 1 515 53 53 ILE HA H 4.460 0.030 1 516 53 53 ILE HB H 2.128 0.030 1 517 53 53 ILE HG12 H 0.438 0.030 2 518 53 53 ILE HG13 H 1.669 0.030 2 519 53 53 ILE HG2 H 1.052 0.030 1 520 53 53 ILE HD1 H 0.729 0.030 1 521 53 53 ILE C C 176.536 0.300 1 522 53 53 ILE CA C 61.153 0.300 1 523 53 53 ILE CB C 38.105 0.300 1 524 53 53 ILE CG1 C 28.463 0.300 1 525 53 53 ILE CG2 C 15.343 0.300 1 526 53 53 ILE CD1 C 15.460 0.300 1 527 53 53 ILE N N 124.678 0.300 1 528 54 54 SER H H 11.729 0.030 1 529 54 54 SER HA H 4.704 0.030 1 530 54 54 SER HB2 H 4.168 0.030 2 531 54 54 SER HB3 H 3.622 0.030 2 532 54 54 SER C C 175.223 0.300 1 533 54 54 SER CA C 60.988 0.300 1 534 54 54 SER CB C 64.550 0.300 1 535 54 54 SER N N 128.342 0.300 1 536 55 55 THR HA H 3.680 0.030 1 537 55 55 THR HB H 4.191 0.030 1 538 55 55 THR HG2 H 1.356 0.030 1 539 55 55 THR C C 174.376 0.300 1 540 55 55 THR CA C 68.235 0.300 1 541 55 55 THR CB C 67.705 0.300 1 542 55 55 THR CG2 C 22.992 0.300 1 543 56 56 LYS H H 7.301 0.030 1 544 56 56 LYS HA H 4.580 0.030 1 545 56 56 LYS HB2 H 1.711 0.030 1 546 56 56 LYS HB3 H 1.711 0.030 1 547 56 56 LYS HG2 H 1.391 0.030 2 548 56 56 LYS HG3 H 1.353 0.030 2 549 56 56 LYS HD2 H 1.633 0.030 2 550 56 56 LYS HD3 H 1.726 0.030 2 551 56 56 LYS HE2 H 2.954 0.030 1 552 56 56 LYS HE3 H 2.954 0.030 1 553 56 56 LYS C C 173.825 0.300 1 554 56 56 LYS CA C 56.525 0.300 1 555 56 56 LYS CB C 33.143 0.300 1 556 56 56 LYS CG C 24.444 0.300 1 557 56 56 LYS CD C 29.193 0.300 1 558 56 56 LYS CE C 42.275 0.300 1 559 56 56 LYS N N 118.816 0.300 1 560 57 57 HIS H H 8.577 0.030 1 561 57 57 HIS HA H 4.465 0.030 1 562 57 57 HIS HB2 H 3.069 0.030 2 563 57 57 HIS HB3 H 3.159 0.030 2 564 57 57 HIS HD2 H 6.677 0.030 1 565 57 57 HIS HE1 H 7.952 0.030 1 566 57 57 HIS C C 174.500 0.300 1 567 57 57 HIS CA C 59.246 0.300 1 568 57 57 HIS CB C 36.295 0.300 1 569 57 57 HIS CD2 C 117.984 0.300 1 570 57 57 HIS CE1 C 137.305 0.300 1 571 57 57 HIS N N 124.911 0.300 1 572 58 58 LEU H H 8.529 0.030 1 573 58 58 LEU HA H 5.482 0.030 1 574 58 58 LEU HB2 H 1.676 0.030 2 575 58 58 LEU HB3 H 1.850 0.030 2 576 58 58 LEU HG H 1.622 0.030 1 577 58 58 LEU HD1 H 0.770 0.030 1 578 58 58 LEU HD2 H 1.031 0.030 1 579 58 58 LEU C C 175.298 0.300 1 580 58 58 LEU CA C 53.790 0.300 1 581 58 58 LEU CB C 46.700 0.300 1 582 58 58 LEU CG C 26.209 0.300 1 583 58 58 LEU CD1 C 25.629 0.300 2 584 58 58 LEU CD2 C 28.151 0.300 2 585 58 58 LEU N N 112.458 0.300 1 586 59 59 ARG H H 8.938 0.030 1 587 59 59 ARG HA H 5.299 0.030 1 588 59 59 ARG HB2 H 1.693 0.030 2 589 59 59 ARG HB3 H 1.791 0.030 2 590 59 59 ARG HG2 H 1.400 0.030 1 591 59 59 ARG HG3 H 1.400 0.030 1 592 59 59 ARG HD2 H 3.171 0.030 1 593 59 59 ARG HD3 H 3.171 0.030 1 594 59 59 ARG C C 173.690 0.300 1 595 59 59 ARG CA C 55.486 0.300 1 596 59 59 ARG CB C 35.254 0.300 1 597 59 59 ARG CG C 28.396 0.300 1 598 59 59 ARG CD C 43.420 0.300 1 599 59 59 ARG N N 121.612 0.300 1 600 60 60 ILE H H 9.295 0.030 1 601 60 60 ILE HA H 5.455 0.030 1 602 60 60 ILE HB H 1.631 0.030 1 603 60 60 ILE HG12 H 0.852 0.030 2 604 60 60 ILE HG13 H 1.590 0.030 2 605 60 60 ILE HG2 H 0.979 0.030 1 606 60 60 ILE HD1 H 0.588 0.030 1 607 60 60 ILE C C 174.351 0.300 1 608 60 60 ILE CA C 59.760 0.300 1 609 60 60 ILE CB C 41.224 0.300 1 610 60 60 ILE CG1 C 28.300 0.300 1 611 60 60 ILE CG2 C 18.231 0.300 1 612 60 60 ILE CD1 C 13.764 0.300 1 613 60 60 ILE N N 128.375 0.300 1 614 61 61 GLU H H 9.088 0.030 1 615 61 61 GLU HA H 5.271 0.030 1 616 61 61 GLU HB2 H 2.043 0.030 2 617 61 61 GLU HB3 H 2.108 0.030 2 618 61 61 GLU HG2 H 2.078 0.030 2 619 61 61 GLU HG3 H 2.173 0.030 2 620 61 61 GLU C C 174.437 0.300 1 621 61 61 GLU CA C 54.706 0.300 1 622 61 61 GLU CB C 33.831 0.300 1 623 61 61 GLU CG C 35.338 0.300 1 624 61 61 GLU N N 123.572 0.300 1 625 62 62 SER H H 8.330 0.030 1 626 62 62 SER HA H 4.643 0.030 1 627 62 62 SER HB2 H 2.843 0.030 2 628 62 62 SER HB3 H 2.071 0.030 2 629 62 62 SER C C 174.664 0.300 1 630 62 62 SER CA C 56.538 0.300 1 631 62 62 SER CB C 63.465 0.300 1 632 62 62 SER N N 114.907 0.300 1 633 63 63 ASP H H 8.509 0.030 1 634 63 63 ASP HA H 4.463 0.030 1 635 63 63 ASP HB2 H 2.518 0.030 1 636 63 63 ASP HB3 H 2.518 0.030 1 637 63 63 ASP C C 176.478 0.300 1 638 63 63 ASP CA C 54.971 0.300 1 639 63 63 ASP CB C 42.629 0.300 1 640 63 63 ASP N N 124.241 0.300 1 641 64 64 SER H H 8.921 0.030 1 642 64 64 SER HA H 4.046 0.030 1 643 64 64 SER HB2 H 3.918 0.030 1 644 64 64 SER HB3 H 3.918 0.030 1 645 64 64 SER C C 174.411 0.300 1 646 64 64 SER CA C 58.861 0.300 1 647 64 64 SER CB C 62.480 0.300 1 648 64 64 SER N N 118.150 0.300 1 649 65 65 GLY H H 8.122 0.030 1 650 65 65 GLY HA2 H 4.174 0.030 2 651 65 65 GLY HA3 H 3.500 0.030 2 652 65 65 GLY C C 173.011 0.300 1 653 65 65 GLY CA C 44.932 0.300 1 654 65 65 GLY N N 107.502 0.300 1 655 66 66 ASN H H 7.712 0.030 1 656 66 66 ASN HA H 4.859 0.030 1 657 66 66 ASN HB2 H 2.532 0.030 2 658 66 66 ASN HB3 H 2.634 0.030 2 659 66 66 ASN HD21 H 7.576 0.030 2 660 66 66 ASN HD22 H 6.902 0.030 2 661 66 66 ASN C C 174.131 0.300 1 662 66 66 ASN CA C 51.773 0.300 1 663 66 66 ASN CB C 41.397 0.300 1 664 66 66 ASN N N 117.457 0.300 1 665 66 66 ASN ND2 N 115.057 0.300 1 666 67 67 TRP H H 9.030 0.030 1 667 67 67 TRP HA H 4.935 0.030 1 668 67 67 TRP HB2 H 2.974 0.030 1 669 67 67 TRP HB3 H 2.974 0.030 1 670 67 67 TRP HD1 H 6.405 0.030 1 671 67 67 TRP HE1 H 9.825 0.030 1 672 67 67 TRP HE3 H 7.215 0.030 1 673 67 67 TRP HZ2 H 7.207 0.030 1 674 67 67 TRP HZ3 H 6.829 0.030 1 675 67 67 TRP HH2 H 7.067 0.030 1 676 67 67 TRP C C 175.262 0.300 1 677 67 67 TRP CA C 57.201 0.300 1 678 67 67 TRP CB C 31.057 0.300 1 679 67 67 TRP CD1 C 126.708 0.300 1 680 67 67 TRP CE3 C 120.235 0.300 1 681 67 67 TRP CZ2 C 114.551 0.300 1 682 67 67 TRP CZ3 C 121.755 0.300 1 683 67 67 TRP CH2 C 124.794 0.300 1 684 67 67 TRP N N 122.260 0.300 1 685 67 67 TRP NE1 N 128.177 0.300 1 686 68 68 VAL H H 9.422 0.030 1 687 68 68 VAL HA H 5.174 0.030 1 688 68 68 VAL HB H 1.984 0.030 1 689 68 68 VAL HG1 H 0.893 0.030 1 690 68 68 VAL HG2 H 0.899 0.030 1 691 68 68 VAL C C 174.117 0.300 1 692 68 68 VAL CA C 60.081 0.300 1 693 68 68 VAL CB C 35.326 0.300 1 694 68 68 VAL CG1 C 20.091 0.300 2 695 68 68 VAL CG2 C 21.715 0.300 2 696 68 68 VAL N N 121.456 0.300 1 697 69 69 ILE H H 9.395 0.030 1 698 69 69 ILE HA H 5.402 0.030 1 699 69 69 ILE HB H 1.530 0.030 1 700 69 69 ILE HG12 H 0.980 0.030 2 701 69 69 ILE HG13 H 1.627 0.030 2 702 69 69 ILE HG2 H 1.055 0.030 1 703 69 69 ILE HD1 H 0.899 0.030 1 704 69 69 ILE C C 172.053 0.300 1 705 69 69 ILE CA C 58.575 0.300 1 706 69 69 ILE CB C 43.312 0.300 1 707 69 69 ILE CG1 C 29.595 0.300 1 708 69 69 ILE CG2 C 15.763 0.300 1 709 69 69 ILE CD1 C 15.786 0.300 1 710 69 69 ILE N N 122.533 0.300 1 711 70 70 GLN H H 8.449 0.030 1 712 70 70 GLN HA H 4.794 0.030 1 713 70 70 GLN HB2 H 1.855 0.030 1 714 70 70 GLN HB3 H 1.855 0.030 1 715 70 70 GLN HG2 H 2.204 0.030 2 716 70 70 GLN HG3 H 2.254 0.030 2 717 70 70 GLN HE21 H 6.538 0.030 2 718 70 70 GLN HE22 H 7.322 0.030 2 719 70 70 GLN C C 175.223 0.300 1 720 70 70 GLN CA C 54.784 0.300 1 721 70 70 GLN CB C 33.124 0.300 1 722 70 70 GLN CG C 33.452 0.300 1 723 70 70 GLN N N 122.291 0.300 1 724 70 70 GLN NE2 N 109.658 0.300 1 725 71 71 ASP H H 9.389 0.030 1 726 71 71 ASP HA H 4.874 0.030 1 727 71 71 ASP HB2 H 2.359 0.030 2 728 71 71 ASP HB3 H 2.453 0.030 2 729 71 71 ASP C C 176.325 0.300 1 730 71 71 ASP CA C 54.503 0.300 1 731 71 71 ASP CB C 44.322 0.300 1 732 71 71 ASP N N 126.484 0.300 1 733 72 72 LEU H H 8.254 0.030 1 734 72 72 LEU HA H 4.502 0.030 1 735 72 72 LEU HB2 H 1.241 0.030 2 736 72 72 LEU HB3 H 1.597 0.030 2 737 72 72 LEU HG H 1.378 0.030 1 738 72 72 LEU HD1 H 0.682 0.030 1 739 72 72 LEU HD2 H 0.700 0.030 1 740 72 72 LEU C C 176.794 0.300 1 741 72 72 LEU CA C 54.041 0.300 1 742 72 72 LEU CB C 39.587 0.300 1 743 72 72 LEU CG C 26.771 0.300 1 744 72 72 LEU CD1 C 21.773 0.300 2 745 72 72 LEU CD2 C 26.483 0.300 2 746 72 72 LEU N N 125.547 0.300 1 747 73 73 GLY H H 8.940 0.030 1 748 73 73 GLY HA2 H 4.130 0.030 2 749 73 73 GLY HA3 H 3.606 0.030 2 750 73 73 GLY C C 175.841 0.300 1 751 73 73 GLY CA C 46.135 0.300 1 752 73 73 GLY N N 111.765 0.300 1 753 74 74 SER H H 8.715 0.030 1 754 74 74 SER HA H 3.903 0.030 1 755 74 74 SER HB2 H 3.432 0.030 2 756 74 74 SER HB3 H 3.112 0.030 2 757 74 74 SER C C 175.636 0.300 1 758 74 74 SER CA C 58.544 0.300 1 759 74 74 SER CB C 61.295 0.300 1 760 74 74 SER N N 119.233 0.300 1 761 75 75 SER HA H 4.220 0.030 1 762 75 75 SER HB2 H 3.900 0.030 2 763 75 75 SER HB3 H 3.823 0.030 2 764 75 75 SER C C 176.177 0.300 1 765 75 75 SER CA C 61.582 0.300 1 766 75 75 SER CB C 62.754 0.300 1 767 76 76 ASN H H 8.901 0.030 1 768 76 76 ASN HA H 4.933 0.030 1 769 76 76 ASN HB2 H 3.048 0.030 2 770 76 76 ASN HB3 H 2.988 0.030 2 771 76 76 ASN HD21 H 7.957 0.030 2 772 76 76 ASN HD22 H 7.079 0.030 2 773 76 76 ASN C C 176.197 0.300 1 774 76 76 ASN CA C 53.307 0.300 1 775 76 76 ASN CB C 40.085 0.300 1 776 76 76 ASN N N 115.586 0.300 1 777 76 76 ASN ND2 N 114.967 0.300 1 778 77 77 GLY H H 7.553 0.030 1 779 77 77 GLY HA2 H 3.837 0.030 2 780 77 77 GLY HA3 H 4.245 0.030 2 781 77 77 GLY C C 173.694 0.300 1 782 77 77 GLY CA C 45.032 0.300 1 783 77 77 GLY N N 109.891 0.300 1 784 78 78 THR H H 8.738 0.030 1 785 78 78 THR HA H 4.629 0.030 1 786 78 78 THR HB H 3.732 0.030 1 787 78 78 THR HG2 H 1.077 0.030 1 788 78 78 THR C C 172.744 0.300 1 789 78 78 THR CA C 63.769 0.300 1 790 78 78 THR CB C 71.898 0.300 1 791 78 78 THR CG2 C 23.165 0.300 1 792 78 78 THR N N 116.996 0.300 1 793 79 79 LEU H H 8.728 0.030 1 794 79 79 LEU HA H 4.949 0.030 1 795 79 79 LEU HB2 H 1.066 0.030 2 796 79 79 LEU HB3 H 1.869 0.030 2 797 79 79 LEU HG H 1.572 0.030 1 798 79 79 LEU HD1 H 0.653 0.030 1 799 79 79 LEU HD2 H 0.777 0.030 1 800 79 79 LEU C C 174.970 0.300 1 801 79 79 LEU CA C 53.239 0.300 1 802 79 79 LEU CB C 44.694 0.300 1 803 79 79 LEU CG C 26.764 0.300 1 804 79 79 LEU CD1 C 23.099 0.300 2 805 79 79 LEU CD2 C 25.570 0.300 2 806 79 79 LEU N N 125.222 0.300 1 807 80 80 LEU H H 8.962 0.030 1 808 80 80 LEU HA H 5.019 0.030 1 809 80 80 LEU HB2 H 1.970 0.030 2 810 80 80 LEU HB3 H 0.927 0.030 2 811 80 80 LEU HG H 1.299 0.030 1 812 80 80 LEU HD1 H 0.831 0.030 1 813 80 80 LEU HD2 H 0.915 0.030 1 814 80 80 LEU C C 176.628 0.300 1 815 80 80 LEU CA C 53.105 0.300 1 816 80 80 LEU CB C 45.175 0.300 1 817 80 80 LEU CG C 28.008 0.300 1 818 80 80 LEU CD1 C 24.471 0.300 2 819 80 80 LEU CD2 C 26.824 0.300 2 820 80 80 LEU N N 123.529 0.300 1 821 81 81 ASN H H 9.827 0.030 1 822 81 81 ASN HA H 4.368 0.030 1 823 81 81 ASN HB2 H 3.104 0.030 2 824 81 81 ASN HB3 H 2.881 0.030 2 825 81 81 ASN HD21 H 7.598 0.030 2 826 81 81 ASN HD22 H 7.554 0.030 2 827 81 81 ASN C C 175.041 0.300 1 828 81 81 ASN CA C 55.361 0.300 1 829 81 81 ASN CB C 36.919 0.300 1 830 81 81 ASN N N 128.167 0.300 1 831 81 81 ASN ND2 N 116.804 0.300 1 832 82 82 SER H H 8.940 0.030 1 833 82 82 SER HA H 3.952 0.030 1 834 82 82 SER HB2 H 4.163 0.030 2 835 82 82 SER HB3 H 4.002 0.030 2 836 82 82 SER C C 172.466 0.300 1 837 82 82 SER CA C 60.487 0.300 1 838 82 82 SER CB C 62.745 0.300 1 839 82 82 SER N N 108.684 0.300 1 840 83 83 ASN H H 7.946 0.030 1 841 83 83 ASN HA H 5.040 0.030 1 842 83 83 ASN HB2 H 2.816 0.030 2 843 83 83 ASN HB3 H 2.735 0.030 2 844 83 83 ASN HD21 H 6.953 0.030 2 845 83 83 ASN HD22 H 7.618 0.030 2 846 83 83 ASN C C 174.081 0.300 1 847 83 83 ASN CA C 51.944 0.300 1 848 83 83 ASN CB C 40.971 0.300 1 849 83 83 ASN N N 119.678 0.300 1 850 83 83 ASN ND2 N 114.507 0.300 1 851 84 84 ALA H H 8.817 0.030 1 852 84 84 ALA HA H 4.553 0.030 1 853 84 84 ALA HB H 1.342 0.030 1 854 84 84 ALA C C 178.562 0.300 1 855 84 84 ALA CA C 52.834 0.300 1 856 84 84 ALA CB C 18.763 0.300 1 857 84 84 ALA N N 126.752 0.300 1 858 85 85 LEU H H 8.509 0.030 1 859 85 85 LEU HA H 4.454 0.030 1 860 85 85 LEU HB2 H 1.549 0.030 2 861 85 85 LEU HB3 H 1.757 0.030 2 862 85 85 LEU HG H 1.621 0.030 1 863 85 85 LEU HD1 H 0.832 0.030 1 864 85 85 LEU HD2 H 0.926 0.030 1 865 85 85 LEU C C 177.005 0.300 1 866 85 85 LEU CA C 54.157 0.300 1 867 85 85 LEU CB C 41.876 0.300 1 868 85 85 LEU CG C 26.795 0.300 1 869 85 85 LEU CD1 C 25.899 0.300 2 870 85 85 LEU CD2 C 23.828 0.300 2 871 85 85 LEU N N 123.379 0.300 1 872 86 86 ASP H H 9.069 0.030 1 873 86 86 ASP HA H 4.992 0.030 1 874 86 86 ASP HB2 H 2.612 0.030 2 875 86 86 ASP HB3 H 2.805 0.030 2 876 86 86 ASP C C 175.579 0.300 1 877 86 86 ASP CA C 51.776 0.300 1 878 86 86 ASP CB C 41.574 0.300 1 879 86 86 ASP N N 125.134 0.300 1 880 87 87 PRO HA H 4.561 0.030 1 881 87 87 PRO HB2 H 2.277 0.030 2 882 87 87 PRO HB3 H 1.970 0.030 2 883 87 87 PRO HG2 H 2.124 0.030 1 884 87 87 PRO HG3 H 2.124 0.030 1 885 87 87 PRO HD2 H 3.872 0.030 2 886 87 87 PRO HD3 H 3.984 0.030 2 887 87 87 PRO C C 176.737 0.300 1 888 87 87 PRO CA C 64.419 0.300 1 889 87 87 PRO CB C 32.513 0.300 1 890 87 87 PRO CG C 27.660 0.300 1 891 87 87 PRO CD C 51.047 0.300 1 892 88 88 GLU H H 8.901 0.030 1 893 88 88 GLU HA H 4.149 0.030 1 894 88 88 GLU HB2 H 2.205 0.030 2 895 88 88 GLU HB3 H 2.055 0.030 2 896 88 88 GLU HG2 H 2.216 0.030 2 897 88 88 GLU HG3 H 2.160 0.030 2 898 88 88 GLU C C 176.051 0.300 1 899 88 88 GLU CA C 57.576 0.300 1 900 88 88 GLU CB C 28.672 0.300 1 901 88 88 GLU CG C 37.082 0.300 1 902 88 88 GLU N N 115.670 0.300 1 903 89 89 THR H H 7.870 0.030 1 904 89 89 THR HA H 4.594 0.030 1 905 89 89 THR HB H 4.098 0.030 1 906 89 89 THR HG2 H 1.193 0.030 1 907 89 89 THR C C 173.483 0.300 1 908 89 89 THR CA C 61.352 0.300 1 909 89 89 THR CB C 70.931 0.300 1 910 89 89 THR CG2 C 21.070 0.300 1 911 89 89 THR N N 114.042 0.300 1 912 90 90 SER H H 8.686 0.030 1 913 90 90 SER HA H 4.848 0.030 1 914 90 90 SER HB2 H 3.692 0.030 2 915 90 90 SER HB3 H 3.712 0.030 2 916 90 90 SER C C 174.038 0.300 1 917 90 90 SER CA C 58.469 0.300 1 918 90 90 SER CB C 63.879 0.300 1 919 90 90 SER N N 122.797 0.300 1 920 91 91 VAL H H 8.628 0.030 1 921 91 91 VAL HA H 4.436 0.030 1 922 91 91 VAL HB H 1.895 0.030 1 923 91 91 VAL HG1 H 0.901 0.030 1 924 91 91 VAL HG2 H 0.901 0.030 1 925 91 91 VAL C C 174.796 0.300 1 926 91 91 VAL CA C 60.881 0.300 1 927 91 91 VAL CB C 35.787 0.300 1 928 91 91 VAL CG1 C 21.622 0.300 1 929 91 91 VAL CG2 C 21.622 0.300 1 930 91 91 VAL N N 122.232 0.300 1 931 92 92 ASN H H 8.634 0.030 1 932 92 92 ASN HA H 5.045 0.030 1 933 92 92 ASN HB2 H 2.787 0.030 1 934 92 92 ASN HB3 H 2.787 0.030 1 935 92 92 ASN HD21 H 6.574 0.030 2 936 92 92 ASN HD22 H 7.440 0.030 2 937 92 92 ASN C C 176.012 0.300 1 938 92 92 ASN CA C 53.867 0.300 1 939 92 92 ASN CB C 38.142 0.300 1 940 92 92 ASN N N 123.162 0.300 1 941 92 92 ASN ND2 N 109.783 0.300 1 942 93 93 LEU H H 9.067 0.030 1 943 93 93 LEU HA H 4.542 0.030 1 944 93 93 LEU HB2 H 1.969 0.030 2 945 93 93 LEU HB3 H 1.419 0.030 2 946 93 93 LEU HG H 1.735 0.030 1 947 93 93 LEU HD1 H 0.863 0.030 1 948 93 93 LEU HD2 H 1.010 0.030 1 949 93 93 LEU C C 176.410 0.300 1 950 93 93 LEU CA C 54.172 0.300 1 951 93 93 LEU CB C 45.184 0.300 1 952 93 93 LEU CG C 27.172 0.300 1 953 93 93 LEU CD1 C 26.356 0.300 2 954 93 93 LEU CD2 C 24.873 0.300 2 955 93 93 LEU N N 123.203 0.300 1 956 94 94 GLY H H 9.081 0.030 1 957 94 94 GLY HA2 H 4.344 0.030 2 958 94 94 GLY HA3 H 3.460 0.030 2 959 94 94 GLY C C 171.162 0.300 1 960 94 94 GLY CA C 43.669 0.300 1 961 94 94 GLY N N 111.464 0.300 1 962 95 95 ASP H H 7.622 0.030 1 963 95 95 ASP HA H 3.449 0.030 1 964 95 95 ASP HB2 H 2.220 0.030 2 965 95 95 ASP HB3 H 2.411 0.030 2 966 95 95 ASP C C 177.558 0.300 1 967 95 95 ASP CA C 56.100 0.300 1 968 95 95 ASP CB C 42.170 0.300 1 969 95 95 ASP N N 118.936 0.300 1 970 96 96 GLY H H 8.938 0.030 1 971 96 96 GLY HA2 H 3.512 0.030 2 972 96 96 GLY HA3 H 4.225 0.030 2 973 96 96 GLY C C 173.907 0.300 1 974 96 96 GLY CA C 45.057 0.300 1 975 96 96 GLY N N 116.695 0.300 1 976 97 97 ASP H H 7.553 0.030 1 977 97 97 ASP HA H 4.801 0.030 1 978 97 97 ASP HB2 H 2.589 0.030 2 979 97 97 ASP HB3 H 2.383 0.030 2 980 97 97 ASP C C 174.536 0.300 1 981 97 97 ASP CA C 55.142 0.300 1 982 97 97 ASP CB C 41.854 0.300 1 983 97 97 ASP N N 121.461 0.300 1 984 98 98 VAL H H 7.939 0.030 1 985 98 98 VAL HA H 4.912 0.030 1 986 98 98 VAL HB H 1.854 0.030 1 987 98 98 VAL HG1 H 0.709 0.030 1 988 98 98 VAL HG2 H 0.930 0.030 1 989 98 98 VAL C C 176.073 0.300 1 990 98 98 VAL CA C 60.765 0.300 1 991 98 98 VAL CB C 34.299 0.300 1 992 98 98 VAL CG1 C 21.309 0.300 2 993 98 98 VAL CG2 C 21.647 0.300 2 994 98 98 VAL N N 116.622 0.300 1 995 99 99 ILE H H 9.660 0.030 1 996 99 99 ILE HA H 4.829 0.030 1 997 99 99 ILE HB H 1.528 0.030 1 998 99 99 ILE HG12 H 0.625 0.030 2 999 99 99 ILE HG13 H 1.486 0.030 2 1000 99 99 ILE HG2 H 0.673 0.030 1 1001 99 99 ILE HD1 H 0.515 0.030 1 1002 99 99 ILE C C 175.034 0.300 1 1003 99 99 ILE CA C 59.562 0.300 1 1004 99 99 ILE CB C 40.427 0.300 1 1005 99 99 ILE CG1 C 27.195 0.300 1 1006 99 99 ILE CG2 C 18.425 0.300 1 1007 99 99 ILE CD1 C 14.410 0.300 1 1008 99 99 ILE N N 130.852 0.300 1 1009 100 100 LYS H H 9.235 0.030 1 1010 100 100 LYS HA H 5.168 0.030 1 1011 100 100 LYS HB2 H 1.808 0.030 2 1012 100 100 LYS HB3 H 1.565 0.030 2 1013 100 100 LYS HG2 H 1.405 0.030 2 1014 100 100 LYS HG3 H 1.320 0.030 2 1015 100 100 LYS HD2 H 1.526 0.030 1 1016 100 100 LYS HD3 H 1.526 0.030 1 1017 100 100 LYS HE2 H 2.824 0.030 1 1018 100 100 LYS HE3 H 2.824 0.030 1 1019 100 100 LYS C C 174.827 0.300 1 1020 100 100 LYS CA C 55.675 0.300 1 1021 100 100 LYS CB C 35.702 0.300 1 1022 100 100 LYS CG C 25.402 0.300 1 1023 100 100 LYS CD C 29.611 0.300 1 1024 100 100 LYS CE C 42.228 0.300 1 1025 100 100 LYS N N 128.214 0.300 1 1026 101 101 LEU H H 8.300 0.030 1 1027 101 101 LEU HA H 4.837 0.030 1 1028 101 101 LEU HB2 H 1.349 0.030 2 1029 101 101 LEU HB3 H 1.499 0.030 2 1030 101 101 LEU HG H 1.184 0.030 1 1031 101 101 LEU HD1 H 0.077 0.030 1 1032 101 101 LEU HD2 H 0.604 0.030 1 1033 101 101 LEU C C 174.383 0.300 1 1034 101 101 LEU CA C 55.116 0.300 1 1035 101 101 LEU CB C 43.691 0.300 1 1036 101 101 LEU CG C 26.848 0.300 1 1037 101 101 LEU CD1 C 26.730 0.300 2 1038 101 101 LEU CD2 C 25.855 0.300 2 1039 101 101 LEU N N 124.345 0.300 1 1040 102 102 GLY H H 9.372 0.030 1 1041 102 102 GLY HA2 H 3.265 0.030 2 1042 102 102 GLY HA3 H 3.942 0.030 2 1043 102 102 GLY C C 174.888 0.300 1 1044 102 102 GLY CA C 44.739 0.300 1 1045 102 102 GLY N N 106.130 0.300 1 1046 103 103 GLU H H 10.751 0.030 1 1047 103 103 GLU HA H 3.913 0.030 1 1048 103 103 GLU HB2 H 1.335 0.030 2 1049 103 103 GLU HB3 H 1.573 0.030 2 1050 103 103 GLU HG2 H 1.820 0.030 2 1051 103 103 GLU HG3 H 1.932 0.030 2 1052 103 103 GLU C C 179.111 0.300 1 1053 103 103 GLU CA C 58.560 0.300 1 1054 103 103 GLU CB C 30.707 0.300 1 1055 103 103 GLU CG C 36.591 0.300 1 1056 103 103 GLU N N 124.311 0.300 1 1057 104 104 TYR H H 9.415 0.030 1 1058 104 104 TYR HA H 4.874 0.030 1 1059 104 104 TYR HB2 H 2.745 0.030 2 1060 104 104 TYR HB3 H 3.341 0.030 2 1061 104 104 TYR HD1 H 7.145 0.030 1 1062 104 104 TYR HD2 H 7.145 0.030 1 1063 104 104 TYR HE1 H 6.841 0.030 1 1064 104 104 TYR HE2 H 6.841 0.030 1 1065 104 104 TYR C C 176.030 0.300 1 1066 104 104 TYR CA C 57.389 0.300 1 1067 104 104 TYR CB C 42.255 0.300 1 1068 104 104 TYR CD1 C 133.687 0.300 1 1069 104 104 TYR CD2 C 133.687 0.300 1 1070 104 104 TYR CE1 C 118.378 0.300 1 1071 104 104 TYR CE2 C 118.378 0.300 1 1072 104 104 TYR N N 114.778 0.300 1 1073 105 105 THR H H 7.373 0.030 1 1074 105 105 THR HA H 4.306 0.030 1 1075 105 105 THR HB H 4.460 0.030 1 1076 105 105 THR HG2 H 1.267 0.030 1 1077 105 105 THR C C 173.974 0.300 1 1078 105 105 THR CA C 66.556 0.300 1 1079 105 105 THR CB C 68.965 0.300 1 1080 105 105 THR CG2 C 21.970 0.300 1 1081 105 105 THR N N 117.225 0.300 1 1082 106 106 SER H H 7.479 0.030 1 1083 106 106 SER HA H 5.504 0.030 1 1084 106 106 SER HB2 H 3.520 0.030 2 1085 106 106 SER HB3 H 3.474 0.030 2 1086 106 106 SER C C 173.092 0.300 1 1087 106 106 SER CA C 57.638 0.300 1 1088 106 106 SER CB C 66.409 0.300 1 1089 106 106 SER N N 121.033 0.300 1 1090 107 107 ILE H H 9.549 0.030 1 1091 107 107 ILE HA H 4.405 0.030 1 1092 107 107 ILE HB H 1.369 0.030 1 1093 107 107 ILE HG12 H -0.014 0.030 2 1094 107 107 ILE HG13 H 1.115 0.030 2 1095 107 107 ILE HG2 H 0.188 0.030 1 1096 107 107 ILE HD1 H 0.335 0.030 1 1097 107 107 ILE C C 172.993 0.300 1 1098 107 107 ILE CA C 60.018 0.300 1 1099 107 107 ILE CB C 41.794 0.300 1 1100 107 107 ILE CG1 C 26.459 0.300 1 1101 107 107 ILE CG2 C 18.320 0.300 1 1102 107 107 ILE CD1 C 13.141 0.300 1 1103 107 107 ILE N N 126.399 0.300 1 1104 108 108 LEU H H 9.637 0.030 1 1105 108 108 LEU HA H 4.925 0.030 1 1106 108 108 LEU HB2 H 1.275 0.030 2 1107 108 108 LEU HB3 H 1.746 0.030 2 1108 108 108 LEU HG H 1.262 0.030 1 1109 108 108 LEU HD1 H 0.768 0.030 1 1110 108 108 LEU HD2 H 0.788 0.030 1 1111 108 108 LEU C C 174.778 0.300 1 1112 108 108 LEU CA C 53.707 0.300 1 1113 108 108 LEU CB C 45.320 0.300 1 1114 108 108 LEU CG C 27.180 0.300 1 1115 108 108 LEU CD1 C 23.790 0.300 2 1116 108 108 LEU CD2 C 25.996 0.300 2 1117 108 108 LEU N N 130.401 0.300 1 1118 109 109 VAL H H 8.948 0.030 1 1119 109 109 VAL HA H 4.138 0.030 1 1120 109 109 VAL HB H 2.120 0.030 1 1121 109 109 VAL HG1 H 0.565 0.030 1 1122 109 109 VAL HG2 H 0.747 0.030 1 1123 109 109 VAL C C 175.518 0.300 1 1124 109 109 VAL CA C 61.850 0.300 1 1125 109 109 VAL CB C 32.706 0.300 1 1126 109 109 VAL CG1 C 22.301 0.300 2 1127 109 109 VAL CG2 C 21.813 0.300 2 1128 109 109 VAL N N 126.281 0.300 1 1129 110 110 ASN H H 9.186 0.030 1 1130 110 110 ASN HA H 5.420 0.030 1 1131 110 110 ASN HB2 H 2.480 0.030 2 1132 110 110 ASN HB3 H 2.691 0.030 2 1133 110 110 ASN HD21 H 7.354 0.030 2 1134 110 110 ASN HD22 H 6.358 0.030 2 1135 110 110 ASN C C 173.191 0.300 1 1136 110 110 ASN CA C 51.177 0.300 1 1137 110 110 ASN CB C 42.871 0.300 1 1138 110 110 ASN N N 125.935 0.300 1 1139 110 110 ASN ND2 N 108.659 0.300 1 1140 111 111 PHE H H 8.996 0.030 1 1141 111 111 PHE HA H 5.573 0.030 1 1142 111 111 PHE HB2 H 3.110 0.030 1 1143 111 111 PHE HB3 H 3.110 0.030 1 1144 111 111 PHE HD1 H 7.159 0.030 1 1145 111 111 PHE HD2 H 7.159 0.030 1 1146 111 111 PHE HE1 H 7.097 0.030 1 1147 111 111 PHE HE2 H 7.097 0.030 1 1148 111 111 PHE HZ H 7.194 0.030 1 1149 111 111 PHE C C 176.080 0.300 1 1150 111 111 PHE CA C 53.006 0.300 1 1151 111 111 PHE CB C 38.167 0.300 1 1152 111 111 PHE CD1 C 129.388 0.300 1 1153 111 111 PHE CD2 C 129.388 0.300 1 1154 111 111 PHE CE1 C 131.334 0.300 1 1155 111 111 PHE CE2 C 131.334 0.300 1 1156 111 111 PHE CZ C 128.725 0.300 1 1157 111 111 PHE N N 123.003 0.300 1 1158 112 112 VAL H H 8.722 0.030 1 1159 112 112 VAL HA H 4.403 0.030 1 1160 112 112 VAL HB H 1.912 0.030 1 1161 112 112 VAL HG1 H 0.829 0.030 1 1162 112 112 VAL HG2 H 0.660 0.030 1 1163 112 112 VAL C C 175.411 0.300 1 1164 112 112 VAL CA C 61.164 0.300 1 1165 112 112 VAL CB C 34.236 0.300 1 1166 112 112 VAL CG1 C 21.181 0.300 2 1167 112 112 VAL CG2 C 20.162 0.300 2 1168 112 112 VAL N N 123.440 0.300 1 1169 113 113 SER H H 8.725 0.030 1 1170 113 113 SER HA H 4.609 0.030 1 1171 113 113 SER HB2 H 3.903 0.030 1 1172 113 113 SER HB3 H 3.903 0.030 1 1173 113 113 SER C C 174.639 0.300 1 1174 113 113 SER CA C 58.510 0.300 1 1175 113 113 SER CB C 64.012 0.300 1 1176 113 113 SER N N 121.339 0.300 1 1177 114 114 GLY H H 8.341 0.030 1 1178 114 114 GLY HA2 H 4.227 0.030 2 1179 114 114 GLY HA3 H 4.051 0.030 2 1180 114 114 GLY C C 171.592 0.300 1 1181 114 114 GLY CA C 44.668 0.300 1 1182 114 114 GLY N N 110.940 0.300 1 1183 115 115 PRO HA H 4.484 0.030 1 1184 115 115 PRO HB2 H 1.979 0.030 2 1185 115 115 PRO HB3 H 2.282 0.030 2 1186 115 115 PRO HG2 H 2.015 0.030 1 1187 115 115 PRO HG3 H 2.015 0.030 1 1188 115 115 PRO HD2 H 3.625 0.030 1 1189 115 115 PRO HD3 H 3.625 0.030 1 1190 115 115 PRO CA C 63.192 0.300 1 1191 115 115 PRO CB C 32.258 0.300 1 1192 115 115 PRO CG C 27.172 0.300 1 1193 115 115 PRO CD C 49.805 0.300 1 1194 117 117 SER HA H 4.523 0.030 1 1195 117 117 SER HB2 H 3.911 0.030 1 1196 117 117 SER HB3 H 3.911 0.030 1 1197 117 117 SER C C 173.907 0.300 1 1198 117 117 SER CA C 58.356 0.300 1 1199 117 117 SER CB C 64.198 0.300 1 1200 118 118 GLY H H 8.041 0.030 1 1201 118 118 GLY HA2 H 3.802 0.030 2 1202 118 118 GLY HA3 H 3.748 0.030 2 1203 118 118 GLY C C 178.981 0.300 1 1204 118 118 GLY CA C 46.239 0.300 1 1205 118 118 GLY N N 116.825 0.300 1 stop_ save_