data_10276 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Tudor domain of Tudor domain containing protein 3 from mouse ; _BMRB_accession_number 10276 _BMRB_flat_file_name bmr10276.str _Entry_type new _Submission_date 2008-12-15 _Accession_date 2008-12-15 _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 418 "13C chemical shifts" 321 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the Tudor domain of Tudor domain containing protein 3 from mouse ; _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tudor domain-containing protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tudor 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 'Tudor domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GSSGSSGKVWKPGDECFALY WEDNKFYRAEVEALHSSGMT AVVKFTDYGNYEEVLLSNIK PVQTEAWVRDPNSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 VAL 10 TRP 11 LYS 12 PRO 13 GLY 14 ASP 15 GLU 16 CYS 17 PHE 18 ALA 19 LEU 20 TYR 21 TRP 22 GLU 23 ASP 24 ASN 25 LYS 26 PHE 27 TYR 28 ARG 29 ALA 30 GLU 31 VAL 32 GLU 33 ALA 34 LEU 35 HIS 36 SER 37 SER 38 GLY 39 MET 40 THR 41 ALA 42 VAL 43 VAL 44 LYS 45 PHE 46 THR 47 ASP 48 TYR 49 GLY 50 ASN 51 TYR 52 GLU 53 GLU 54 VAL 55 LEU 56 LEU 57 SER 58 ASN 59 ILE 60 LYS 61 PRO 62 VAL 63 GLN 64 THR 65 GLU 66 ALA 67 TRP 68 VAL 69 ARG 70 ASP 71 PRO 72 ASN 73 SER 74 GLY 75 PRO 76 SER 77 SER 78 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 2D9T "Solution Structure Of The Tudor Domain Of Tudor Domain Containing Protein 3 From Mouse" 100.00 78 100.00 100.00 1.77e-49 DBJ BAC26033 "unnamed protein product [Mus musculus]" 85.90 163 98.51 98.51 4.56e-41 DBJ BAC28263 "unnamed protein product [Mus musculus]" 76.92 650 98.33 98.33 1.31e-33 GB AAH05670 "Tudor domain containing 3 [Mus musculus]" 76.92 650 100.00 100.00 2.46e-34 GB AAH66144 "Tdrd3 protein [Mus musculus]" 78.21 650 98.36 98.36 2.13e-34 GB EDL35743 "tudor domain containing 3, partial [Mus musculus]" 78.21 752 98.36 98.36 5.45e-34 REF NP_001240684 "tudor domain-containing protein 3 isoform 2 [Mus musculus]" 85.90 716 98.51 98.51 1.11e-38 REF NP_766193 "tudor domain-containing protein 3 isoform 1 [Mus musculus]" 76.92 743 100.00 100.00 4.74e-34 REF XP_006518972 "PREDICTED: tudor domain-containing protein 3 isoform X1 [Mus musculus]" 78.21 721 98.36 98.36 3.99e-34 REF XP_006518973 "PREDICTED: tudor domain-containing protein 3 isoform X3 [Mus musculus]" 76.92 650 100.00 100.00 2.26e-34 REF XP_006518974 "PREDICTED: tudor domain-containing protein 3 isoform X3 [Mus musculus]" 76.92 650 100.00 100.00 2.26e-34 SP Q91W18 "RecName: Full=Tudor domain-containing protein 3" 76.92 743 100.00 100.00 4.74e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus 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 P050214-04 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 1.22 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRview _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Tudor domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.892 0.030 1 2 7 7 GLY HA3 H 3.892 0.030 1 3 7 7 GLY C C 173.405 0.300 1 4 7 7 GLY CA C 45.070 0.300 1 5 8 8 LYS H H 7.913 0.030 1 6 8 8 LYS HA H 4.031 0.030 1 7 8 8 LYS HB2 H 1.409 0.030 2 8 8 8 LYS HB3 H 1.306 0.030 2 9 8 8 LYS HD2 H 1.181 0.030 2 10 8 8 LYS HD3 H 0.966 0.030 2 11 8 8 LYS HE2 H 2.131 0.030 2 12 8 8 LYS HE3 H 2.323 0.030 2 13 8 8 LYS HG2 H 0.556 0.030 1 14 8 8 LYS HG3 H 0.556 0.030 1 15 8 8 LYS C C 175.501 0.300 1 16 8 8 LYS CA C 55.765 0.300 1 17 8 8 LYS CB C 33.046 0.300 1 18 8 8 LYS CD C 28.234 0.300 1 19 8 8 LYS CE C 41.988 0.300 1 20 8 8 LYS CG C 23.957 0.300 1 21 8 8 LYS N N 121.849 0.300 1 22 9 9 VAL H H 8.175 0.030 1 23 9 9 VAL HA H 4.082 0.030 1 24 9 9 VAL HB H 1.895 0.030 1 25 9 9 VAL HG1 H 0.845 0.030 1 26 9 9 VAL HG2 H 0.839 0.030 1 27 9 9 VAL C C 175.680 0.300 1 28 9 9 VAL CA C 61.571 0.300 1 29 9 9 VAL CB C 32.224 0.300 1 30 9 9 VAL CG1 C 20.515 0.300 2 31 9 9 VAL CG2 C 21.123 0.300 2 32 9 9 VAL N N 125.536 0.300 1 33 10 10 TRP H H 8.125 0.030 1 34 10 10 TRP HA H 4.667 0.030 1 35 10 10 TRP HB2 H 2.965 0.030 2 36 10 10 TRP HB3 H 3.055 0.030 2 37 10 10 TRP HD1 H 7.255 0.030 1 38 10 10 TRP HE1 H 10.270 0.030 1 39 10 10 TRP HE3 H 7.975 0.030 1 40 10 10 TRP HH2 H 6.789 0.030 1 41 10 10 TRP HZ2 H 7.075 0.030 1 42 10 10 TRP HZ3 H 7.148 0.030 1 43 10 10 TRP C C 174.859 0.300 1 44 10 10 TRP CA C 57.088 0.300 1 45 10 10 TRP CB C 31.730 0.300 1 46 10 10 TRP CD1 C 127.495 0.300 1 47 10 10 TRP CE3 C 121.287 0.300 1 48 10 10 TRP CH2 C 123.520 0.300 1 49 10 10 TRP CZ2 C 113.803 0.300 1 50 10 10 TRP CZ3 C 121.117 0.300 1 51 10 10 TRP N N 127.817 0.300 1 52 10 10 TRP NE1 N 128.999 0.300 1 53 11 11 LYS H H 9.090 0.030 1 54 11 11 LYS HA H 4.856 0.030 1 55 11 11 LYS HB2 H 1.687 0.030 2 56 11 11 LYS HB3 H 1.793 0.030 2 57 11 11 LYS HD2 H 1.683 0.030 1 58 11 11 LYS HD3 H 1.683 0.030 1 59 11 11 LYS HE2 H 3.013 0.030 1 60 11 11 LYS HE3 H 3.013 0.030 1 61 11 11 LYS HG2 H 1.325 0.030 2 62 11 11 LYS HG3 H 1.566 0.030 2 63 11 11 LYS C C 172.968 0.300 1 64 11 11 LYS CA C 53.330 0.300 1 65 11 11 LYS CB C 33.827 0.300 1 66 11 11 LYS CD C 29.011 0.300 1 67 11 11 LYS CE C 42.282 0.300 1 68 11 11 LYS CG C 23.518 0.300 1 69 11 11 LYS N N 120.688 0.300 1 70 12 12 PRO HA H 3.894 0.030 1 71 12 12 PRO HB2 H 2.265 0.030 2 72 12 12 PRO HB3 H 1.854 0.030 2 73 12 12 PRO HD2 H 3.715 0.030 2 74 12 12 PRO HD3 H 3.595 0.030 2 75 12 12 PRO HG2 H 1.663 0.030 2 76 12 12 PRO HG3 H 2.265 0.030 2 77 12 12 PRO C C 177.287 0.300 1 78 12 12 PRO CA C 63.812 0.300 1 79 12 12 PRO CB C 31.278 0.300 1 80 12 12 PRO CD C 50.853 0.300 1 81 12 12 PRO CG C 28.810 0.300 1 82 13 13 GLY H H 9.494 0.030 1 83 13 13 GLY HA2 H 4.431 0.030 2 84 13 13 GLY HA3 H 3.746 0.030 2 85 13 13 GLY C C 174.798 0.300 1 86 13 13 GLY CA C 44.559 0.300 1 87 13 13 GLY N N 114.764 0.300 1 88 14 14 ASP H H 8.005 0.030 1 89 14 14 ASP HA H 4.665 0.030 1 90 14 14 ASP HB2 H 3.105 0.030 2 91 14 14 ASP HB3 H 2.985 0.030 2 92 14 14 ASP C C 176.143 0.300 1 93 14 14 ASP CA C 55.553 0.300 1 94 14 14 ASP CB C 41.600 0.300 1 95 14 14 ASP N N 121.257 0.300 1 96 15 15 GLU H H 8.645 0.030 1 97 15 15 GLU HA H 4.852 0.030 1 98 15 15 GLU HB2 H 2.115 0.030 2 99 15 15 GLU HB3 H 2.026 0.030 2 100 15 15 GLU HG2 H 2.445 0.030 2 101 15 15 GLU HG3 H 2.315 0.030 2 102 15 15 GLU C C 175.679 0.300 1 103 15 15 GLU CA C 55.783 0.300 1 104 15 15 GLU CB C 31.295 0.300 1 105 15 15 GLU CG C 36.953 0.300 1 106 15 15 GLU N N 121.409 0.300 1 107 16 16 CYS H H 8.735 0.030 1 108 16 16 CYS HA H 5.086 0.030 1 109 16 16 CYS HB2 H 2.776 0.030 2 110 16 16 CYS HB3 H 2.543 0.030 2 111 16 16 CYS C C 172.636 0.300 1 112 16 16 CYS CA C 56.418 0.300 1 113 16 16 CYS CB C 32.553 0.300 1 114 16 16 CYS N N 116.207 0.300 1 115 17 17 PHE H H 9.125 0.030 1 116 17 17 PHE HA H 5.235 0.030 1 117 17 17 PHE HB2 H 2.805 0.030 2 118 17 17 PHE HB3 H 2.698 0.030 2 119 17 17 PHE HD1 H 6.996 0.030 1 120 17 17 PHE HD2 H 6.996 0.030 1 121 17 17 PHE HE1 H 7.435 0.030 1 122 17 17 PHE HE2 H 7.435 0.030 1 123 17 17 PHE HZ H 7.387 0.030 1 124 17 17 PHE C C 174.823 0.300 1 125 17 17 PHE CA C 57.547 0.300 1 126 17 17 PHE CB C 42.053 0.300 1 127 17 17 PHE CD1 C 130.964 0.300 1 128 17 17 PHE CD2 C 130.964 0.300 1 129 17 17 PHE CE1 C 131.879 0.300 1 130 17 17 PHE CE2 C 131.879 0.300 1 131 17 17 PHE CZ C 130.157 0.300 1 132 17 17 PHE N N 116.836 0.300 1 133 18 18 ALA H H 9.373 0.030 1 134 18 18 ALA HA H 5.552 0.030 1 135 18 18 ALA HB H 1.169 0.030 1 136 18 18 ALA C C 175.841 0.300 1 137 18 18 ALA CA C 50.147 0.300 1 138 18 18 ALA CB C 23.798 0.300 1 139 18 18 ALA N N 122.751 0.300 1 140 19 19 LEU H H 7.487 0.030 1 141 19 19 LEU HA H 3.514 0.030 1 142 19 19 LEU HB2 H 1.630 0.030 2 143 19 19 LEU HB3 H 0.745 0.030 2 144 19 19 LEU HD1 H 0.020 0.030 1 145 19 19 LEU HD2 H 0.625 0.030 1 146 19 19 LEU HG H 0.880 0.030 1 147 19 19 LEU C C 175.598 0.300 1 148 19 19 LEU CA C 55.165 0.300 1 149 19 19 LEU CB C 43.656 0.300 1 150 19 19 LEU CD1 C 22.148 0.300 2 151 19 19 LEU CD2 C 25.393 0.300 2 152 19 19 LEU CG C 26.360 0.300 1 153 19 19 LEU N N 123.529 0.300 1 154 20 20 TYR H H 9.405 0.030 1 155 20 20 TYR HA H 4.939 0.030 1 156 20 20 TYR HB2 H 3.475 0.030 2 157 20 20 TYR HB3 H 2.575 0.030 2 158 20 20 TYR HD1 H 6.782 0.030 1 159 20 20 TYR HD2 H 6.782 0.030 1 160 20 20 TYR HE1 H 6.375 0.030 1 161 20 20 TYR HE2 H 6.375 0.030 1 162 20 20 TYR C C 176.593 0.300 1 163 20 20 TYR CA C 55.201 0.300 1 164 20 20 TYR CB C 37.899 0.300 1 165 20 20 TYR CD1 C 131.500 0.300 1 166 20 20 TYR CD2 C 131.500 0.300 1 167 20 20 TYR CE1 C 118.935 0.300 1 168 20 20 TYR CE2 C 118.935 0.300 1 169 20 20 TYR N N 132.207 0.300 1 170 21 21 TRP H H 8.475 0.030 1 171 21 21 TRP HA H 4.087 0.030 1 172 21 21 TRP HB2 H 3.119 0.030 2 173 21 21 TRP HB3 H 3.313 0.030 2 174 21 21 TRP HD1 H 7.225 0.030 1 175 21 21 TRP HE1 H 10.085 0.030 1 176 21 21 TRP HE3 H 7.200 0.030 1 177 21 21 TRP HH2 H 7.148 0.030 1 178 21 21 TRP HZ2 H 7.479 0.030 1 179 21 21 TRP HZ3 H 7.036 0.030 1 180 21 21 TRP C C 177.283 0.300 1 181 21 21 TRP CA C 58.695 0.300 1 182 21 21 TRP CB C 28.111 0.300 1 183 21 21 TRP CD1 C 127.464 0.300 1 184 21 21 TRP CE3 C 120.191 0.300 1 185 21 21 TRP CH2 C 124.828 0.300 1 186 21 21 TRP CZ2 C 114.888 0.300 1 187 21 21 TRP CZ3 C 122.145 0.300 1 188 21 21 TRP N N 128.228 0.300 1 189 21 21 TRP NE1 N 130.527 0.300 1 190 22 22 GLU H H 4.195 0.030 1 191 22 22 GLU HA H 2.895 0.030 1 192 22 22 GLU HB2 H 0.985 0.030 2 193 22 22 GLU HB3 H -0.085 0.030 2 194 22 22 GLU HG2 H 1.074 0.030 2 195 22 22 GLU HG3 H 1.015 0.030 2 196 22 22 GLU C C 176.342 0.300 1 197 22 22 GLU CA C 59.753 0.300 1 198 22 22 GLU CB C 29.468 0.300 1 199 22 22 GLU CG C 35.637 0.300 1 200 22 22 GLU N N 117.591 0.300 1 201 23 23 ASP H H 6.695 0.030 1 202 23 23 ASP HA H 4.554 0.030 1 203 23 23 ASP HB2 H 2.834 0.030 2 204 23 23 ASP HB3 H 2.370 0.030 2 205 23 23 ASP C C 176.047 0.300 1 206 23 23 ASP CA C 51.970 0.300 1 207 23 23 ASP CB C 41.353 0.300 1 208 23 23 ASP N N 112.180 0.300 1 209 24 24 ASN H H 8.248 0.030 1 210 24 24 ASN HA H 4.055 0.030 1 211 24 24 ASN HB2 H 3.060 0.030 2 212 24 24 ASN HB3 H 2.533 0.030 2 213 24 24 ASN HD21 H 7.392 0.030 2 214 24 24 ASN HD22 H 6.624 0.030 2 215 24 24 ASN C C 173.702 0.300 1 216 24 24 ASN CA C 54.794 0.300 1 217 24 24 ASN CB C 37.940 0.300 1 218 24 24 ASN N N 116.693 0.300 1 219 24 24 ASN ND2 N 111.938 0.300 1 220 25 25 LYS H H 7.604 0.030 1 221 25 25 LYS HA H 4.502 0.030 1 222 25 25 LYS HB2 H 1.675 0.030 2 223 25 25 LYS HB3 H 1.404 0.030 2 224 25 25 LYS HD2 H 1.593 0.030 1 225 25 25 LYS HD3 H 1.593 0.030 1 226 25 25 LYS HE2 H 2.925 0.030 1 227 25 25 LYS HE3 H 2.925 0.030 1 228 25 25 LYS HG2 H 1.155 0.030 2 229 25 25 LYS HG3 H 1.331 0.030 2 230 25 25 LYS C C 174.726 0.300 1 231 25 25 LYS CA C 54.565 0.300 1 232 25 25 LYS CB C 35.143 0.300 1 233 25 25 LYS CD C 29.157 0.300 1 234 25 25 LYS CE C 42.464 0.300 1 235 25 25 LYS CG C 25.109 0.300 1 236 25 25 LYS N N 116.646 0.300 1 237 26 26 PHE H H 8.361 0.030 1 238 26 26 PHE HA H 5.005 0.030 1 239 26 26 PHE HB2 H 2.805 0.030 2 240 26 26 PHE HB3 H 2.515 0.030 2 241 26 26 PHE HD1 H 6.984 0.030 1 242 26 26 PHE HD2 H 6.984 0.030 1 243 26 26 PHE HE1 H 7.274 0.030 1 244 26 26 PHE HE2 H 7.274 0.030 1 245 26 26 PHE HZ H 7.335 0.030 1 246 26 26 PHE C C 176.228 0.300 1 247 26 26 PHE CA C 58.236 0.300 1 248 26 26 PHE CB C 41.148 0.300 1 249 26 26 PHE CD1 C 131.336 0.300 1 250 26 26 PHE CD2 C 131.336 0.300 1 251 26 26 PHE CE1 C 132.220 0.300 1 252 26 26 PHE CE2 C 132.220 0.300 1 253 26 26 PHE CZ C 130.033 0.300 1 254 26 26 PHE N N 118.446 0.300 1 255 27 27 TYR H H 8.851 0.030 1 256 27 27 TYR HA H 5.045 0.030 1 257 27 27 TYR HB2 H 3.512 0.030 2 258 27 27 TYR HB3 H 2.875 0.030 2 259 27 27 TYR HD1 H 7.094 0.030 1 260 27 27 TYR HD2 H 7.094 0.030 1 261 27 27 TYR HE1 H 7.212 0.030 1 262 27 27 TYR HE2 H 7.212 0.030 1 263 27 27 TYR C C 175.380 0.300 1 264 27 27 TYR CA C 56.594 0.300 1 265 27 27 TYR CB C 43.856 0.300 1 266 27 27 TYR CD1 C 133.367 0.300 1 267 27 27 TYR CD2 C 133.367 0.300 1 268 27 27 TYR CE1 C 118.423 0.300 1 269 27 27 TYR CE2 C 118.423 0.300 1 270 27 27 TYR N N 118.823 0.300 1 271 28 28 ARG H H 9.026 0.030 1 272 28 28 ARG HA H 4.202 0.030 1 273 28 28 ARG HB2 H 1.784 0.030 1 274 28 28 ARG HB3 H 1.784 0.030 1 275 28 28 ARG HD2 H 2.938 0.030 2 276 28 28 ARG HD3 H 3.045 0.030 2 277 28 28 ARG HE H 7.506 0.030 1 278 28 28 ARG HG2 H 1.578 0.030 1 279 28 28 ARG HG3 H 1.578 0.030 1 280 28 28 ARG C C 175.789 0.300 1 281 28 28 ARG CA C 57.142 0.300 1 282 28 28 ARG CB C 30.291 0.300 1 283 28 28 ARG CD C 42.875 0.300 1 284 28 28 ARG CG C 27.905 0.300 1 285 28 28 ARG N N 122.262 0.300 1 286 28 28 ARG NE N 84.466 0.300 1 287 29 29 ALA H H 9.157 0.030 1 288 29 29 ALA HA H 5.098 0.030 1 289 29 29 ALA HB H 0.684 0.030 1 290 29 29 ALA C C 175.247 0.300 1 291 29 29 ALA CA C 51.188 0.300 1 292 29 29 ALA CB C 23.153 0.300 1 293 29 29 ALA N N 126.768 0.300 1 294 30 30 GLU H H 8.167 0.030 1 295 30 30 GLU HA H 5.085 0.030 1 296 30 30 GLU HB2 H 1.736 0.030 1 297 30 30 GLU HB3 H 1.736 0.030 1 298 30 30 GLU HG2 H 2.016 0.030 1 299 30 30 GLU HG3 H 2.016 0.030 1 300 30 30 GLU C C 176.265 0.300 1 301 30 30 GLU CA C 53.948 0.300 1 302 30 30 GLU CB C 33.622 0.300 1 303 30 30 GLU CG C 36.642 0.300 1 304 30 30 GLU N N 118.036 0.300 1 305 31 31 VAL H H 8.961 0.030 1 306 31 31 VAL HA H 3.545 0.030 1 307 31 31 VAL HB H 2.256 0.030 1 308 31 31 VAL HG1 H 0.529 0.030 1 309 31 31 VAL HG2 H 0.648 0.030 1 310 31 31 VAL C C 175.369 0.300 1 311 31 31 VAL CA C 64.571 0.300 1 312 31 31 VAL CB C 31.678 0.300 1 313 31 31 VAL CG1 C 21.691 0.300 2 314 31 31 VAL CG2 C 22.331 0.300 2 315 31 31 VAL N N 124.010 0.300 1 316 32 32 GLU H H 9.483 0.030 1 317 32 32 GLU HA H 4.627 0.030 1 318 32 32 GLU HB2 H 1.935 0.030 2 319 32 32 GLU HB3 H 1.804 0.030 2 320 32 32 GLU HG2 H 2.220 0.030 2 321 32 32 GLU HG3 H 2.115 0.030 2 322 32 32 GLU C C 175.695 0.300 1 323 32 32 GLU CA C 56.841 0.300 1 324 32 32 GLU CB C 30.661 0.300 1 325 32 32 GLU CG C 34.979 0.300 1 326 32 32 GLU N N 130.912 0.300 1 327 33 33 ALA H H 7.838 0.030 1 328 33 33 ALA HA H 4.456 0.030 1 329 33 33 ALA HB H 1.292 0.030 1 330 33 33 ALA C C 174.956 0.300 1 331 33 33 ALA CA C 51.777 0.300 1 332 33 33 ALA CB C 22.189 0.300 1 333 33 33 ALA N N 117.714 0.300 1 334 34 34 LEU H H 8.954 0.030 1 335 34 34 LEU HA H 4.702 0.030 1 336 34 34 LEU HB2 H 1.706 0.030 1 337 34 34 LEU HB3 H 1.706 0.030 1 338 34 34 LEU HD1 H 0.975 0.030 1 339 34 34 LEU HD2 H 0.842 0.030 1 340 34 34 LEU HG H 1.613 0.030 1 341 34 34 LEU C C 176.325 0.300 1 342 34 34 LEU CA C 53.559 0.300 1 343 34 34 LEU CB C 42.381 0.300 1 344 34 34 LEU CD1 C 25.075 0.300 2 345 34 34 LEU CD2 C 23.956 0.300 2 346 34 34 LEU CG C 27.931 0.300 1 347 34 34 LEU N N 122.418 0.300 1 348 35 35 HIS H H 8.022 0.030 1 349 35 35 HIS HA H 4.544 0.030 1 350 35 35 HIS HB2 H 3.083 0.030 1 351 35 35 HIS HB3 H 3.083 0.030 1 352 35 35 HIS HD2 H 6.990 0.030 1 353 35 35 HIS HE1 H 7.705 0.030 1 354 35 35 HIS C C 178.300 0.300 1 355 35 35 HIS CA C 57.706 0.300 1 356 35 35 HIS CB C 32.594 0.300 1 357 35 35 HIS CD2 C 117.912 0.300 1 358 35 35 HIS CE1 C 138.123 0.300 1 359 35 35 HIS N N 123.729 0.300 1 360 37 37 SER H H 10.111 0.030 1 361 37 37 SER HA H 4.339 0.030 1 362 37 37 SER HB2 H 4.047 0.030 2 363 37 37 SER HB3 H 4.184 0.030 2 364 37 37 SER C C 176.434 0.300 1 365 37 37 SER CA C 59.895 0.300 1 366 37 37 SER CB C 63.665 0.300 1 367 37 37 SER N N 119.788 0.300 1 368 38 38 GLY H H 8.136 0.030 1 369 38 38 GLY HA2 H 4.257 0.030 2 370 38 38 GLY HA3 H 3.981 0.030 2 371 38 38 GLY C C 174.441 0.300 1 372 38 38 GLY CA C 46.006 0.300 1 373 38 38 GLY N N 108.557 0.300 1 374 39 39 MET H H 8.180 0.030 1 375 39 39 MET HA H 4.789 0.030 1 376 39 39 MET HB2 H 2.154 0.030 2 377 39 39 MET HB3 H 2.075 0.030 2 378 39 39 MET HE H 2.105 0.030 1 379 39 39 MET HG2 H 2.453 0.030 2 380 39 39 MET HG3 H 2.670 0.030 2 381 39 39 MET C C 177.404 0.300 1 382 39 39 MET CA C 55.889 0.300 1 383 39 39 MET CB C 34.033 0.300 1 384 39 39 MET CE C 16.749 0.300 1 385 39 39 MET CG C 32.018 0.300 1 386 39 39 MET N N 113.829 0.300 1 387 40 40 THR H H 7.174 0.030 1 388 40 40 THR HA H 5.182 0.030 1 389 40 40 THR HB H 4.049 0.030 1 390 40 40 THR HG2 H 0.974 0.030 1 391 40 40 THR C C 172.981 0.300 1 392 40 40 THR CA C 59.559 0.300 1 393 40 40 THR CB C 73.120 0.300 1 394 40 40 THR CG2 C 22.312 0.300 1 395 40 40 THR N N 108.160 0.300 1 396 41 41 ALA H H 9.245 0.030 1 397 41 41 ALA HA H 4.932 0.030 1 398 41 41 ALA HB H 1.103 0.030 1 399 41 41 ALA C C 175.635 0.300 1 400 41 41 ALA CA C 50.417 0.300 1 401 41 41 ALA CB C 22.600 0.300 1 402 41 41 ALA N N 122.138 0.300 1 403 42 42 VAL H H 8.773 0.030 1 404 42 42 VAL HA H 4.789 0.030 1 405 42 42 VAL HB H 1.835 0.030 1 406 42 42 VAL HG1 H 0.929 0.030 1 407 42 42 VAL HG2 H 0.932 0.030 1 408 42 42 VAL C C 176.410 0.300 1 409 42 42 VAL CA C 62.083 0.300 1 410 42 42 VAL CB C 32.776 0.300 1 411 42 42 VAL CG1 C 21.164 0.300 2 412 42 42 VAL CG2 C 21.491 0.300 2 413 42 42 VAL N N 120.320 0.300 1 414 43 43 VAL H H 9.224 0.030 1 415 43 43 VAL HA H 5.013 0.030 1 416 43 43 VAL HB H 1.387 0.030 1 417 43 43 VAL HG1 H 0.406 0.030 1 418 43 43 VAL HG2 H 0.160 0.030 1 419 43 43 VAL C C 172.532 0.300 1 420 43 43 VAL CA C 57.812 0.300 1 421 43 43 VAL CB C 34.280 0.300 1 422 43 43 VAL CG1 C 21.061 0.300 2 423 43 43 VAL CG2 C 18.283 0.300 2 424 43 43 VAL N N 121.151 0.300 1 425 44 44 LYS H H 8.645 0.030 1 426 44 44 LYS HA H 4.627 0.030 1 427 44 44 LYS HB2 H 1.500 0.030 2 428 44 44 LYS HB3 H 1.122 0.030 2 429 44 44 LYS HD2 H 1.407 0.030 2 430 44 44 LYS HD3 H 1.324 0.030 2 431 44 44 LYS HE2 H 2.725 0.030 2 432 44 44 LYS HE3 H 2.650 0.030 2 433 44 44 LYS HG2 H 0.308 0.030 2 434 44 44 LYS HG3 H 0.502 0.030 2 435 44 44 LYS C C 177.419 0.300 1 436 44 44 LYS CA C 53.612 0.300 1 437 44 44 LYS CB C 35.143 0.300 1 438 44 44 LYS CD C 29.221 0.300 1 439 44 44 LYS CE C 41.888 0.300 1 440 44 44 LYS CG C 24.122 0.300 1 441 44 44 LYS N N 121.425 0.300 1 442 45 45 PHE H H 8.823 0.030 1 443 45 45 PHE HA H 4.505 0.030 1 444 45 45 PHE HB2 H 3.115 0.030 2 445 45 45 PHE HB3 H 3.215 0.030 2 446 45 45 PHE HD1 H 7.216 0.030 1 447 45 45 PHE HD2 H 7.216 0.030 1 448 45 45 PHE HE1 H 7.389 0.030 1 449 45 45 PHE HE2 H 7.389 0.030 1 450 45 45 PHE HZ H 6.955 0.030 1 451 45 45 PHE C C 177.585 0.300 1 452 45 45 PHE CA C 59.841 0.300 1 453 45 45 PHE CB C 38.598 0.300 1 454 45 45 PHE CD1 C 131.941 0.300 1 455 45 45 PHE CD2 C 131.941 0.300 1 456 45 45 PHE CE1 C 131.398 0.300 1 457 45 45 PHE CE2 C 131.398 0.300 1 458 45 45 PHE CZ C 128.839 0.300 1 459 45 45 PHE N N 128.232 0.300 1 460 46 46 THR H H 8.281 0.030 1 461 46 46 THR HA H 3.738 0.030 1 462 46 46 THR HB H 3.876 0.030 1 463 46 46 THR HG2 H 1.106 0.030 1 464 46 46 THR C C 176.410 0.300 1 465 46 46 THR CA C 65.930 0.300 1 466 46 46 THR CB C 68.743 0.300 1 467 46 46 THR CG2 C 22.312 0.300 1 468 46 46 THR N N 120.729 0.300 1 469 47 47 ASP H H 9.166 0.030 1 470 47 47 ASP HA H 4.300 0.030 1 471 47 47 ASP HB2 H 2.095 0.030 2 472 47 47 ASP HB3 H 2.134 0.030 2 473 47 47 ASP C C 176.844 0.300 1 474 47 47 ASP CA C 57.283 0.300 1 475 47 47 ASP CB C 40.037 0.300 1 476 47 47 ASP N N 120.635 0.300 1 477 48 48 TYR H H 7.676 0.030 1 478 48 48 TYR HA H 4.605 0.030 1 479 48 48 TYR HB2 H 3.125 0.030 2 480 48 48 TYR HB3 H 2.706 0.030 2 481 48 48 TYR HD1 H 6.814 0.030 1 482 48 48 TYR HD2 H 6.814 0.030 1 483 48 48 TYR HE1 H 6.420 0.030 1 484 48 48 TYR HE2 H 6.420 0.030 1 485 48 48 TYR C C 177.343 0.300 1 486 48 48 TYR CA C 57.777 0.300 1 487 48 48 TYR CB C 39.914 0.300 1 488 48 48 TYR CD1 C 132.638 0.300 1 489 48 48 TYR CD2 C 132.638 0.300 1 490 48 48 TYR CE1 C 118.113 0.300 1 491 48 48 TYR CE2 C 118.113 0.300 1 492 48 48 TYR N N 114.763 0.300 1 493 49 49 GLY H H 8.065 0.030 1 494 49 49 GLY HA2 H 4.023 0.030 2 495 49 49 GLY HA3 H 3.571 0.030 2 496 49 49 GLY C C 172.707 0.300 1 497 49 49 GLY CA C 46.165 0.300 1 498 49 49 GLY N N 107.679 0.300 1 499 50 50 ASN H H 8.836 0.030 1 500 50 50 ASN HA H 4.777 0.030 1 501 50 50 ASN HB2 H 2.794 0.030 2 502 50 50 ASN HB3 H 2.834 0.030 2 503 50 50 ASN HD21 H 8.639 0.030 2 504 50 50 ASN HD22 H 5.734 0.030 2 505 50 50 ASN C C 173.696 0.300 1 506 50 50 ASN CA C 52.747 0.300 1 507 50 50 ASN CB C 37.710 0.300 1 508 50 50 ASN N N 114.795 0.300 1 509 50 50 ASN ND2 N 114.892 0.300 1 510 51 51 TYR H H 8.726 0.030 1 511 51 51 TYR HA H 5.696 0.030 1 512 51 51 TYR HB2 H 2.864 0.030 2 513 51 51 TYR HB3 H 2.665 0.030 2 514 51 51 TYR HD1 H 7.012 0.030 1 515 51 51 TYR HD2 H 7.012 0.030 1 516 51 51 TYR HE1 H 6.755 0.030 1 517 51 51 TYR HE2 H 6.755 0.030 1 518 51 51 TYR C C 176.871 0.300 1 519 51 51 TYR CA C 56.789 0.300 1 520 51 51 TYR CB C 40.037 0.300 1 521 51 51 TYR CD1 C 133.119 0.300 1 522 51 51 TYR CD2 C 133.119 0.300 1 523 51 51 TYR CE1 C 117.958 0.300 1 524 51 51 TYR CE2 C 117.958 0.300 1 525 51 51 TYR N N 120.703 0.300 1 526 52 52 GLU H H 8.995 0.030 1 527 52 52 GLU HA H 4.981 0.030 1 528 52 52 GLU HB2 H 2.485 0.030 2 529 52 52 GLU HB3 H 1.754 0.030 2 530 52 52 GLU HG2 H 2.545 0.030 2 531 52 52 GLU HG3 H 2.814 0.030 2 532 52 52 GLU C C 174.629 0.300 1 533 52 52 GLU CA C 54.070 0.300 1 534 52 52 GLU CB C 34.814 0.300 1 535 52 52 GLU CG C 35.516 0.300 1 536 52 52 GLU N N 118.929 0.300 1 537 53 53 GLU H H 8.995 0.030 1 538 53 53 GLU HA H 5.175 0.030 1 539 53 53 GLU HB2 H 1.975 0.030 2 540 53 53 GLU HB3 H 1.919 0.030 2 541 53 53 GLU HG2 H 2.145 0.030 2 542 53 53 GLU HG3 H 1.975 0.030 2 543 53 53 GLU C C 176.301 0.300 1 544 53 53 GLU CA C 55.500 0.300 1 545 53 53 GLU CB C 30.537 0.300 1 546 53 53 GLU CG C 37.117 0.300 1 547 53 53 GLU N N 122.819 0.300 1 548 54 54 VAL H H 9.375 0.030 1 549 54 54 VAL HA H 4.739 0.030 1 550 54 54 VAL HB H 1.993 0.030 1 551 54 54 VAL HG1 H 1.123 0.030 1 552 54 54 VAL HG2 H 0.839 0.030 1 553 54 54 VAL C C 175.017 0.300 1 554 54 54 VAL CA C 59.647 0.300 1 555 54 54 VAL CB C 36.171 0.300 1 556 54 54 VAL CG1 C 22.395 0.300 2 557 54 54 VAL CG2 C 21.290 0.300 2 558 54 54 VAL N N 125.177 0.300 1 559 55 55 LEU H H 8.744 0.030 1 560 55 55 LEU HA H 4.500 0.030 1 561 55 55 LEU HB2 H 1.706 0.030 1 562 55 55 LEU HB3 H 1.706 0.030 1 563 55 55 LEU HD1 H 0.905 0.030 1 564 55 55 LEU HD2 H 0.898 0.030 1 565 55 55 LEU HG H 1.765 0.030 1 566 55 55 LEU C C 179.440 0.300 1 567 55 55 LEU CA C 55.495 0.300 1 568 55 55 LEU CB C 42.628 0.300 1 569 55 55 LEU CD1 C 25.433 0.300 2 570 55 55 LEU CD2 C 23.161 0.300 2 571 55 55 LEU CG C 27.083 0.300 1 572 55 55 LEU N N 123.920 0.300 1 573 56 56 LEU H H 8.324 0.030 1 574 56 56 LEU HA H 3.855 0.030 1 575 56 56 LEU HB2 H 1.643 0.030 1 576 56 56 LEU HB3 H 1.643 0.030 1 577 56 56 LEU HD1 H 0.863 0.030 1 578 56 56 LEU HD2 H 0.780 0.030 1 579 56 56 LEU HG H 1.393 0.030 1 580 56 56 LEU C C 178.810 0.300 1 581 56 56 LEU CA C 57.883 0.300 1 582 56 56 LEU CB C 41.330 0.300 1 583 56 56 LEU CD1 C 25.420 0.300 2 584 56 56 LEU CD2 C 23.975 0.300 2 585 56 56 LEU CG C 28.134 0.300 1 586 56 56 LEU N N 123.383 0.300 1 587 57 57 SER H H 7.886 0.030 1 588 57 57 SER HA H 4.364 0.030 1 589 57 57 SER HB2 H 4.110 0.030 2 590 57 57 SER HB3 H 3.845 0.030 2 591 57 57 SER C C 174.944 0.300 1 592 57 57 SER CA C 59.859 0.300 1 593 57 57 SER CB C 62.509 0.300 1 594 57 57 SER N N 109.927 0.300 1 595 58 58 ASN H H 8.085 0.030 1 596 58 58 ASN HA H 5.275 0.030 1 597 58 58 ASN HB2 H 3.365 0.030 2 598 58 58 ASN HB3 H 2.885 0.030 2 599 58 58 ASN HD21 H 8.122 0.030 2 600 58 58 ASN HD22 H 7.257 0.030 2 601 58 58 ASN C C 172.402 0.300 1 602 58 58 ASN CA C 52.535 0.300 1 603 58 58 ASN CB C 39.585 0.300 1 604 58 58 ASN N N 120.812 0.300 1 605 58 58 ASN ND2 N 115.088 0.300 1 606 59 59 ILE H H 7.291 0.030 1 607 59 59 ILE HA H 5.125 0.030 1 608 59 59 ILE HB H 1.425 0.030 1 609 59 59 ILE HD1 H -0.296 0.030 1 610 59 59 ILE HG12 H 0.706 0.030 2 611 59 59 ILE HG13 H 1.282 0.030 2 612 59 59 ILE HG2 H 0.144 0.030 1 613 59 59 ILE C C 174.980 0.300 1 614 59 59 ILE CA C 60.659 0.300 1 615 59 59 ILE CB C 39.996 0.300 1 616 59 59 ILE CD1 C 12.771 0.300 1 617 59 59 ILE CG1 C 26.654 0.300 1 618 59 59 ILE CG2 C 17.919 0.300 1 619 59 59 ILE N N 115.444 0.300 1 620 60 60 LYS H H 9.366 0.030 1 621 60 60 LYS HA H 5.300 0.030 1 622 60 60 LYS HB2 H 1.788 0.030 2 623 60 60 LYS HB3 H 1.648 0.030 2 624 60 60 LYS HD2 H 1.195 0.030 2 625 60 60 LYS HD3 H 1.093 0.030 2 626 60 60 LYS HE2 H 2.285 0.030 2 627 60 60 LYS HE3 H 1.933 0.030 2 628 60 60 LYS HG2 H 1.104 0.030 2 629 60 60 LYS HG3 H 1.192 0.030 2 630 60 60 LYS C C 173.381 0.300 1 631 60 60 LYS CA C 52.977 0.300 1 632 60 60 LYS CB C 34.814 0.300 1 633 60 60 LYS CD C 29.201 0.300 1 634 60 60 LYS CE C 41.650 0.300 1 635 60 60 LYS CG C 24.330 0.300 1 636 60 60 LYS N N 122.819 0.300 1 637 61 61 PRO HA H 5.027 0.030 1 638 61 61 PRO HB2 H 2.405 0.030 2 639 61 61 PRO HB3 H 1.964 0.030 2 640 61 61 PRO HD2 H 3.759 0.030 2 641 61 61 PRO HD3 H 4.083 0.030 2 642 61 61 PRO HG2 H 2.084 0.030 2 643 61 61 PRO HG3 H 1.954 0.030 2 644 61 61 PRO C C 176.256 0.300 1 645 61 61 PRO CA C 62.754 0.300 1 646 61 61 PRO CB C 32.594 0.300 1 647 61 61 PRO CD C 50.935 0.300 1 648 61 61 PRO CG C 27.788 0.300 1 649 62 62 VAL H H 8.525 0.030 1 650 62 62 VAL HA H 3.969 0.030 1 651 62 62 VAL HB H 1.970 0.030 1 652 62 62 VAL HG1 H 0.765 0.030 1 653 62 62 VAL HG2 H 0.725 0.030 1 654 62 62 VAL C C 176.192 0.300 1 655 62 62 VAL CA C 62.895 0.300 1 656 62 62 VAL CB C 32.059 0.300 1 657 62 62 VAL CG1 C 21.196 0.300 2 658 62 62 VAL CG2 C 20.401 0.300 2 659 62 62 VAL N N 117.807 0.300 1 660 63 63 GLN H H 7.815 0.030 1 661 63 63 GLN HA H 4.415 0.030 1 662 63 63 GLN HB2 H 1.885 0.030 2 663 63 63 GLN HB3 H 2.025 0.030 2 664 63 63 GLN HE21 H 7.499 0.030 2 665 63 63 GLN HE22 H 6.814 0.030 2 666 63 63 GLN HG2 H 2.245 0.030 1 667 63 63 GLN HG3 H 2.245 0.030 1 668 63 63 GLN C C 175.716 0.300 1 669 63 63 GLN CA C 55.535 0.300 1 670 63 63 GLN CB C 29.468 0.300 1 671 63 63 GLN CG C 33.678 0.300 1 672 63 63 GLN N N 122.188 0.300 1 673 63 63 GLN NE2 N 112.312 0.300 1 674 64 64 THR H H 8.185 0.030 1 675 64 64 THR HA H 4.154 0.030 1 676 64 64 THR HB H 4.106 0.030 1 677 64 64 THR HG2 H 1.126 0.030 1 678 64 64 THR C C 174.616 0.300 1 679 64 64 THR CA C 62.277 0.300 1 680 64 64 THR CB C 69.565 0.300 1 681 64 64 THR CG2 C 21.737 0.300 1 682 64 64 THR N N 116.169 0.300 1 683 65 65 GLU H H 8.460 0.030 1 684 65 65 GLU HA H 4.174 0.030 1 685 65 65 GLU HB2 H 1.835 0.030 2 686 65 65 GLU HB3 H 1.766 0.030 2 687 65 65 GLU HG2 H 2.185 0.030 1 688 65 65 GLU HG3 H 2.185 0.030 1 689 65 65 GLU C C 176.216 0.300 1 690 65 65 GLU CA C 56.647 0.300 1 691 65 65 GLU CB C 30.044 0.300 1 692 65 65 GLU CG C 36.230 0.300 1 693 65 65 GLU N N 123.014 0.300 1 694 66 66 ALA H H 8.245 0.030 1 695 66 66 ALA HA H 4.205 0.030 1 696 66 66 ALA HB H 1.308 0.030 1 697 66 66 ALA C C 177.258 0.300 1 698 66 66 ALA CA C 52.730 0.300 1 699 66 66 ALA CB C 19.064 0.300 1 700 66 66 ALA N N 124.251 0.300 1 701 67 67 TRP H H 7.875 0.030 1 702 67 67 TRP HA H 4.609 0.030 1 703 67 67 TRP HB2 H 3.215 0.030 1 704 67 67 TRP HB3 H 3.215 0.030 1 705 67 67 TRP HD1 H 7.173 0.030 1 706 67 67 TRP HE1 H 10.106 0.030 1 707 67 67 TRP HE3 H 7.511 0.030 1 708 67 67 TRP HH2 H 7.095 0.030 1 709 67 67 TRP HZ2 H 7.372 0.030 1 710 67 67 TRP C C 175.889 0.300 1 711 67 67 TRP CA C 57.106 0.300 1 712 67 67 TRP CB C 29.427 0.300 1 713 67 67 TRP CD1 C 126.999 0.300 1 714 67 67 TRP CE3 C 120.864 0.300 1 715 67 67 TRP CH2 C 124.513 0.300 1 716 67 67 TRP CZ2 C 114.400 0.300 1 717 67 67 TRP N N 119.568 0.300 1 718 67 67 TRP NE1 N 129.486 0.300 1 719 68 68 VAL H H 7.815 0.030 1 720 68 68 VAL HA H 3.917 0.030 1 721 68 68 VAL HB H 1.885 0.030 1 722 68 68 VAL HG1 H 0.761 0.030 1 723 68 68 VAL HG2 H 0.797 0.030 1 724 68 68 VAL C C 175.368 0.300 1 725 68 68 VAL CA C 62.189 0.300 1 726 68 68 VAL CB C 32.981 0.300 1 727 68 68 VAL CG1 C 20.610 0.300 2 728 68 68 VAL CG2 C 21.009 0.300 2 729 68 68 VAL N N 122.485 0.300 1 730 69 69 ARG H H 8.084 0.030 1 731 69 69 ARG HA H 4.107 0.030 1 732 69 69 ARG HB2 H 1.695 0.030 2 733 69 69 ARG HB3 H 1.640 0.030 2 734 69 69 ARG HD2 H 3.106 0.030 1 735 69 69 ARG HD3 H 3.106 0.030 1 736 69 69 ARG HG2 H 1.518 0.030 2 737 69 69 ARG HG3 H 1.475 0.030 2 738 69 69 ARG C C 175.465 0.300 1 739 69 69 ARG CA C 55.841 0.300 1 740 69 69 ARG CB C 30.949 0.300 1 741 69 69 ARG CD C 43.302 0.300 1 742 69 69 ARG CG C 27.001 0.300 1 743 69 69 ARG N N 124.540 0.300 1 744 70 70 ASP H H 8.365 0.030 1 745 70 70 ASP HA H 4.780 0.030 1 746 70 70 ASP HB2 H 2.565 0.030 2 747 70 70 ASP HB3 H 2.764 0.030 2 748 70 70 ASP C C 175.319 0.300 1 749 70 70 ASP CA C 51.882 0.300 1 750 70 70 ASP CB C 41.312 0.300 1 751 70 70 ASP N N 123.498 0.300 1 752 71 71 PRO HA H 4.355 0.030 1 753 71 71 PRO HB2 H 2.215 0.030 2 754 71 71 PRO HB3 H 1.906 0.030 2 755 71 71 PRO HD2 H 3.779 0.030 1 756 71 71 PRO HD3 H 3.779 0.030 1 757 71 71 PRO HG2 H 1.925 0.030 1 758 71 71 PRO HG3 H 1.925 0.030 1 759 71 71 PRO C C 177.091 0.300 1 760 71 71 PRO CA C 63.777 0.300 1 761 71 71 PRO CB C 32.118 0.300 1 762 71 71 PRO CD C 50.935 0.300 1 763 71 71 PRO CG C 27.131 0.300 1 764 72 72 ASN H H 8.521 0.030 1 765 72 72 ASN HA H 4.764 0.030 1 766 72 72 ASN HB2 H 2.868 0.030 2 767 72 72 ASN HB3 H 2.750 0.030 2 768 72 72 ASN HD21 H 7.805 0.030 2 769 72 72 ASN HD22 H 6.952 0.030 2 770 72 72 ASN C C 175.312 0.300 1 771 72 72 ASN CA C 53.471 0.300 1 772 72 72 ASN CB C 38.869 0.300 1 773 72 72 ASN N N 117.256 0.300 1 774 72 72 ASN ND2 N 114.316 0.300 1 775 73 73 SER H H 7.937 0.030 1 776 73 73 SER HA H 4.429 0.030 1 777 73 73 SER HB2 H 3.876 0.030 1 778 73 73 SER HB3 H 3.876 0.030 1 779 73 73 SER C C 174.532 0.300 1 780 73 73 SER CA C 58.642 0.300 1 781 73 73 SER CB C 64.137 0.300 1 782 73 73 SER N N 115.503 0.300 1 783 74 74 GLY H H 8.206 0.030 1 784 74 74 GLY HA2 H 4.071 0.030 2 785 74 74 GLY HA3 H 4.123 0.030 2 786 74 74 GLY C C 171.781 0.300 1 787 74 74 GLY CA C 44.682 0.300 1 788 74 74 GLY N N 110.659 0.300 1 789 75 75 PRO HA H 4.446 0.030 1 790 75 75 PRO HB2 H 2.265 0.030 2 791 75 75 PRO HB3 H 1.955 0.030 2 792 75 75 PRO HD2 H 3.581 0.030 1 793 75 75 PRO HD3 H 3.581 0.030 1 794 75 75 PRO HG2 H 1.975 0.030 1 795 75 75 PRO HG3 H 1.975 0.030 1 796 75 75 PRO C C 177.407 0.300 1 797 75 75 PRO CA C 63.212 0.300 1 798 75 75 PRO CB C 32.182 0.300 1 799 75 75 PRO CD C 49.766 0.300 1 800 75 75 PRO CG C 27.131 0.300 1 801 76 76 SER H H 8.504 0.030 1 802 76 76 SER HA H 4.489 0.030 1 803 76 76 SER HB2 H 3.869 0.030 1 804 76 76 SER HB3 H 3.869 0.030 1 805 76 76 SER C C 174.677 0.300 1 806 76 76 SER CA C 58.359 0.300 1 807 76 76 SER CB C 64.013 0.300 1 808 76 76 SER N N 116.388 0.300 1 809 77 77 SER H H 8.312 0.030 1 810 77 77 SER C C 173.914 0.300 1 811 77 77 SER CA C 58.342 0.300 1 812 77 77 SER CB C 64.013 0.300 1 813 77 77 SER N N 117.873 0.300 1 stop_ save_