data_10272 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the SH3 domain of human KIAA0418 ; _BMRB_accession_number 10272 _BMRB_flat_file_name bmr10272.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 Sato M. . . 2 Tochio N. . . 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" 422 "13C chemical shifts" 317 "15N chemical shifts" 76 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 structures of the SH3 domain of human KIAA0418' _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 Tochio N. . . 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 'SH3 and PX domain-containing protein 2A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 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 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GSSGSSGATSYMTCSAYQKV QDSEISFPAGVEVQVLEKQE SGWWYVRFGELEGWAPSHYL VLDENEQPDPSGKESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 THR 10 SER 11 TYR 12 MET 13 THR 14 CYS 15 SER 16 ALA 17 TYR 18 GLN 19 LYS 20 VAL 21 GLN 22 ASP 23 SER 24 GLU 25 ILE 26 SER 27 PHE 28 PRO 29 ALA 30 GLY 31 VAL 32 GLU 33 VAL 34 GLN 35 VAL 36 LEU 37 GLU 38 LYS 39 GLN 40 GLU 41 SER 42 GLY 43 TRP 44 TRP 45 TYR 46 VAL 47 ARG 48 PHE 49 GLY 50 GLU 51 LEU 52 GLU 53 GLY 54 TRP 55 ALA 56 PRO 57 SER 58 HIS 59 TYR 60 LEU 61 VAL 62 LEU 63 ASP 64 GLU 65 ASN 66 GLU 67 GLN 68 PRO 69 ASP 70 PRO 71 SER 72 GLY 73 LYS 74 GLU 75 SER 76 GLY 77 PRO 78 SER 79 SER 80 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2EKH "Solution Structures Of The Sh3 Domain Of Human Kiaa0418" 100.00 80 100.00 100.00 6.17e-49 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 P050919-08 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 3.5 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 0.9827 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 'SH3 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 6 6 SER HA H 4.494 0.030 1 2 6 6 SER CA C 58.785 0.300 1 3 6 6 SER CB C 63.483 0.300 1 4 7 7 GLY H H 8.367 0.030 1 5 7 7 GLY HA2 H 3.955 0.030 1 6 7 7 GLY HA3 H 3.955 0.030 1 7 7 7 GLY C C 173.640 0.300 1 8 7 7 GLY CA C 45.215 0.300 1 9 7 7 GLY N N 110.787 0.300 1 10 8 8 ALA H H 8.126 0.030 1 11 8 8 ALA HA H 4.458 0.030 1 12 8 8 ALA HB H 1.322 0.030 1 13 8 8 ALA C C 177.711 0.300 1 14 8 8 ALA CA C 52.493 0.300 1 15 8 8 ALA CB C 19.761 0.300 1 16 8 8 ALA N N 123.680 0.300 1 17 9 9 THR H H 8.254 0.030 1 18 9 9 THR HA H 4.527 0.030 1 19 9 9 THR HB H 4.273 0.030 1 20 9 9 THR HG2 H 1.188 0.030 1 21 9 9 THR C C 174.050 0.300 1 22 9 9 THR CA C 61.874 0.300 1 23 9 9 THR CB C 70.580 0.300 1 24 9 9 THR CG2 C 22.039 0.300 1 25 9 9 THR N N 113.196 0.300 1 26 10 10 SER H H 8.264 0.030 1 27 10 10 SER HA H 5.228 0.030 1 28 10 10 SER HB2 H 3.777 0.030 1 29 10 10 SER HB3 H 3.777 0.030 1 30 10 10 SER C C 173.318 0.300 1 31 10 10 SER CA C 58.404 0.300 1 32 10 10 SER CB C 64.098 0.300 1 33 10 10 SER N N 120.509 0.300 1 34 11 11 TYR H H 8.957 0.030 1 35 11 11 TYR HA H 4.793 0.030 1 36 11 11 TYR HB2 H 2.795 0.030 2 37 11 11 TYR HB3 H 2.526 0.030 2 38 11 11 TYR HD1 H 7.027 0.030 1 39 11 11 TYR HD2 H 7.027 0.030 1 40 11 11 TYR HE1 H 6.783 0.030 1 41 11 11 TYR HE2 H 6.783 0.030 1 42 11 11 TYR C C 174.111 0.300 1 43 11 11 TYR CA C 57.097 0.300 1 44 11 11 TYR CB C 43.764 0.300 1 45 11 11 TYR CD1 C 133.691 0.300 1 46 11 11 TYR CD2 C 133.691 0.300 1 47 11 11 TYR CE1 C 117.815 0.300 1 48 11 11 TYR CE2 C 117.815 0.300 1 49 11 11 TYR N N 124.069 0.300 1 50 12 12 MET H H 8.985 0.030 1 51 12 12 MET HA H 5.463 0.030 1 52 12 12 MET HB2 H 1.806 0.030 1 53 12 12 MET HB3 H 1.806 0.030 1 54 12 12 MET HE H 1.858 0.030 1 55 12 12 MET HG2 H 2.508 0.030 2 56 12 12 MET HG3 H 2.468 0.030 2 57 12 12 MET C C 177.045 0.300 1 58 12 12 MET CA C 52.215 0.300 1 59 12 12 MET CB C 33.195 0.300 1 60 12 12 MET CE C 15.831 0.300 1 61 12 12 MET CG C 31.670 0.300 1 62 12 12 MET N N 118.428 0.300 1 63 13 13 THR H H 9.132 0.030 1 64 13 13 THR HA H 4.872 0.030 1 65 13 13 THR HB H 4.485 0.030 1 66 13 13 THR HG2 H 0.228 0.030 1 67 13 13 THR C C 177.032 0.300 1 68 13 13 THR CA C 60.003 0.300 1 69 13 13 THR CB C 69.597 0.300 1 70 13 13 THR CG2 C 23.359 0.300 1 71 13 13 THR N N 113.981 0.300 1 72 14 14 CYS H H 9.504 0.030 1 73 14 14 CYS HA H 4.806 0.030 1 74 14 14 CYS HB2 H 3.130 0.030 2 75 14 14 CYS HB3 H 2.554 0.030 2 76 14 14 CYS C C 173.712 0.300 1 77 14 14 CYS CA C 57.209 0.300 1 78 14 14 CYS CB C 28.772 0.300 1 79 14 14 CYS N N 122.485 0.300 1 80 15 15 SER H H 7.796 0.030 1 81 15 15 SER HA H 4.578 0.030 1 82 15 15 SER HB2 H 3.516 0.030 2 83 15 15 SER HB3 H 3.470 0.030 2 84 15 15 SER C C 171.037 0.300 1 85 15 15 SER CA C 56.858 0.300 1 86 15 15 SER CB C 66.124 0.300 1 87 15 15 SER N N 116.311 0.300 1 88 16 16 ALA H H 8.398 0.030 1 89 16 16 ALA HA H 4.582 0.030 1 90 16 16 ALA HB H 1.437 0.030 1 91 16 16 ALA C C 176.897 0.300 1 92 16 16 ALA CA C 52.085 0.300 1 93 16 16 ALA CB C 19.720 0.300 1 94 16 16 ALA N N 124.071 0.300 1 95 17 17 TYR H H 8.401 0.030 1 96 17 17 TYR HA H 4.384 0.030 1 97 17 17 TYR HB2 H 1.980 0.030 2 98 17 17 TYR HB3 H 1.097 0.030 2 99 17 17 TYR HD1 H 6.772 0.030 1 100 17 17 TYR HD2 H 6.772 0.030 1 101 17 17 TYR HE1 H 6.802 0.030 1 102 17 17 TYR HE2 H 6.802 0.030 1 103 17 17 TYR C C 173.836 0.300 1 104 17 17 TYR CA C 57.801 0.300 1 105 17 17 TYR CB C 42.166 0.300 1 106 17 17 TYR CD1 C 133.038 0.300 1 107 17 17 TYR CD2 C 133.038 0.300 1 108 17 17 TYR CE1 C 117.462 0.300 1 109 17 17 TYR CE2 C 117.462 0.300 1 110 17 17 TYR N N 121.997 0.300 1 111 18 18 GLN H H 6.844 0.030 1 112 18 18 GLN HA H 4.318 0.030 1 113 18 18 GLN HB2 H 1.608 0.030 1 114 18 18 GLN HB3 H 1.608 0.030 1 115 18 18 GLN HE21 H 7.524 0.030 2 116 18 18 GLN HE22 H 6.740 0.030 2 117 18 18 GLN HG2 H 2.117 0.030 2 118 18 18 GLN HG3 H 2.066 0.030 2 119 18 18 GLN C C 172.990 0.300 1 120 18 18 GLN CA C 52.767 0.300 1 121 18 18 GLN CB C 29.940 0.300 1 122 18 18 GLN CG C 33.536 0.300 1 123 18 18 GLN N N 127.603 0.300 1 124 18 18 GLN NE2 N 112.804 0.300 1 125 19 19 LYS H H 8.155 0.030 1 126 19 19 LYS HA H 4.130 0.030 1 127 19 19 LYS HB2 H 2.061 0.030 2 128 19 19 LYS HB3 H 1.418 0.030 2 129 19 19 LYS HD2 H 1.706 0.030 2 130 19 19 LYS HD3 H 1.535 0.030 2 131 19 19 LYS HE2 H 3.069 0.030 2 132 19 19 LYS HE3 H 2.924 0.030 2 133 19 19 LYS HG2 H 1.289 0.030 2 134 19 19 LYS HG3 H 1.007 0.030 2 135 19 19 LYS C C 175.995 0.300 1 136 19 19 LYS CA C 56.489 0.300 1 137 19 19 LYS CB C 33.369 0.300 1 138 19 19 LYS CD C 30.105 0.300 1 139 19 19 LYS CE C 42.419 0.300 1 140 19 19 LYS CG C 23.017 0.300 1 141 19 19 LYS N N 123.114 0.300 1 142 20 20 VAL H H 8.679 0.030 1 143 20 20 VAL HA H 4.153 0.030 1 144 20 20 VAL HB H 2.404 0.030 1 145 20 20 VAL HG1 H 1.071 0.030 1 146 20 20 VAL HG2 H 0.961 0.030 1 147 20 20 VAL C C 176.493 0.300 1 148 20 20 VAL CA C 62.520 0.300 1 149 20 20 VAL CB C 32.847 0.300 1 150 20 20 VAL CG1 C 20.877 0.300 2 151 20 20 VAL CG2 C 21.405 0.300 2 152 20 20 VAL N N 120.106 0.300 1 153 21 21 GLN H H 7.133 0.030 1 154 21 21 GLN HA H 4.582 0.030 1 155 21 21 GLN HB2 H 2.249 0.030 2 156 21 21 GLN HB3 H 1.853 0.030 2 157 21 21 GLN HE21 H 7.560 0.030 2 158 21 21 GLN HE22 H 6.645 0.030 2 159 21 21 GLN HG2 H 2.320 0.030 2 160 21 21 GLN HG3 H 2.218 0.030 2 161 21 21 GLN C C 177.019 0.300 1 162 21 21 GLN CA C 54.291 0.300 1 163 21 21 GLN CB C 31.023 0.300 1 164 21 21 GLN CG C 33.236 0.300 1 165 21 21 GLN N N 116.079 0.300 1 166 21 21 GLN NE2 N 112.373 0.300 1 167 22 22 ASP H H 8.858 0.030 1 168 22 22 ASP HA H 4.318 0.030 1 169 22 22 ASP HB2 H 2.758 0.030 2 170 22 22 ASP HB3 H 2.703 0.030 2 171 22 22 ASP C C 176.746 0.300 1 172 22 22 ASP CA C 57.752 0.300 1 173 22 22 ASP CB C 40.859 0.300 1 174 22 22 ASP N N 120.173 0.300 1 175 23 23 SER H H 7.860 0.030 1 176 23 23 SER HA H 4.648 0.030 1 177 23 23 SER HB2 H 4.397 0.030 2 178 23 23 SER HB3 H 4.032 0.030 2 179 23 23 SER C C 175.526 0.300 1 180 23 23 SER CA C 58.597 0.300 1 181 23 23 SER CB C 62.993 0.300 1 182 23 23 SER N N 110.013 0.300 1 183 24 24 GLU H H 7.579 0.030 1 184 24 24 GLU HA H 5.574 0.030 1 185 24 24 GLU HB2 H 2.762 0.030 2 186 24 24 GLU HB3 H 2.517 0.030 2 187 24 24 GLU HG2 H 2.585 0.030 2 188 24 24 GLU HG3 H 2.184 0.030 2 189 24 24 GLU C C 174.394 0.300 1 190 24 24 GLU CA C 55.633 0.300 1 191 24 24 GLU CB C 32.848 0.300 1 192 24 24 GLU CG C 37.272 0.300 1 193 24 24 GLU N N 122.542 0.300 1 194 25 25 ILE H H 7.894 0.030 1 195 25 25 ILE HA H 4.661 0.030 1 196 25 25 ILE HB H 1.325 0.030 1 197 25 25 ILE HD1 H 0.776 0.030 1 198 25 25 ILE HG12 H 1.691 0.030 2 199 25 25 ILE HG13 H 1.450 0.030 2 200 25 25 ILE HG2 H 0.874 0.030 1 201 25 25 ILE C C 171.519 0.300 1 202 25 25 ILE CA C 58.838 0.300 1 203 25 25 ILE CB C 42.673 0.300 1 204 25 25 ILE CD1 C 16.055 0.300 1 205 25 25 ILE CG1 C 28.436 0.300 1 206 25 25 ILE CG2 C 16.328 0.300 1 207 25 25 ILE N N 117.944 0.300 1 208 26 26 SER H H 7.535 0.030 1 209 26 26 SER HA H 4.885 0.030 1 210 26 26 SER HB2 H 3.938 0.030 2 211 26 26 SER HB3 H 3.649 0.030 2 212 26 26 SER C C 174.052 0.300 1 213 26 26 SER CA C 56.515 0.300 1 214 26 26 SER CB C 65.131 0.300 1 215 26 26 SER N N 116.426 0.300 1 216 27 27 PHE H H 8.271 0.030 1 217 27 27 PHE HA H 4.934 0.030 1 218 27 27 PHE HB2 H 2.692 0.030 2 219 27 27 PHE HB3 H 2.495 0.030 2 220 27 27 PHE HD1 H 6.910 0.030 1 221 27 27 PHE HD2 H 6.910 0.030 1 222 27 27 PHE HE1 H 7.229 0.030 1 223 27 27 PHE HE2 H 7.229 0.030 1 224 27 27 PHE HZ H 6.618 0.030 1 225 27 27 PHE C C 173.278 0.300 1 226 27 27 PHE CA C 53.758 0.300 1 227 27 27 PHE CB C 37.379 0.300 1 228 27 27 PHE CD1 C 133.429 0.300 1 229 27 27 PHE CD2 C 133.429 0.300 1 230 27 27 PHE CE1 C 130.627 0.300 1 231 27 27 PHE CE2 C 130.627 0.300 1 232 27 27 PHE CZ C 128.265 0.300 1 233 27 27 PHE N N 116.221 0.300 1 234 28 28 PRO HA H 4.872 0.030 1 235 28 28 PRO HB2 H 2.289 0.030 2 236 28 28 PRO HB3 H 2.072 0.030 2 237 28 28 PRO HD2 H 3.783 0.030 2 238 28 28 PRO HD3 H 3.242 0.030 2 239 28 28 PRO HG2 H 2.114 0.030 2 240 28 28 PRO HG3 H 1.828 0.030 2 241 28 28 PRO C C 176.165 0.300 1 242 28 28 PRO CA C 61.019 0.300 1 243 28 28 PRO CB C 32.410 0.300 1 244 28 28 PRO CD C 50.021 0.300 1 245 28 28 PRO CG C 26.178 0.300 1 246 29 29 ALA H H 8.513 0.030 1 247 29 29 ALA HA H 3.822 0.030 1 248 29 29 ALA HB H 1.230 0.030 1 249 29 29 ALA C C 178.074 0.300 1 250 29 29 ALA CA C 52.670 0.300 1 251 29 29 ALA CB C 19.721 0.300 1 252 29 29 ALA N N 120.286 0.300 1 253 30 30 GLY H H 8.022 0.030 1 254 30 30 GLY HA2 H 3.956 0.030 2 255 30 30 GLY HA3 H 3.733 0.030 2 256 30 30 GLY C C 174.944 0.300 1 257 30 30 GLY CA C 46.739 0.300 1 258 30 30 GLY N N 110.746 0.300 1 259 31 31 VAL H H 7.736 0.030 1 260 31 31 VAL HA H 4.753 0.030 1 261 31 31 VAL HB H 2.180 0.030 1 262 31 31 VAL HG1 H 0.796 0.030 1 263 31 31 VAL HG2 H 0.190 0.030 1 264 31 31 VAL C C 173.642 0.300 1 265 31 31 VAL CA C 58.809 0.300 1 266 31 31 VAL CB C 34.719 0.300 1 267 31 31 VAL CG1 C 21.945 0.300 2 268 31 31 VAL CG2 C 18.141 0.300 2 269 31 31 VAL N N 112.109 0.300 1 270 32 32 GLU H H 8.264 0.030 1 271 32 32 GLU HA H 5.090 0.030 1 272 32 32 GLU HB2 H 1.982 0.030 2 273 32 32 GLU HB3 H 1.920 0.030 2 274 32 32 GLU HG2 H 2.269 0.030 2 275 32 32 GLU HG3 H 2.110 0.030 2 276 32 32 GLU C C 176.725 0.300 1 277 32 32 GLU CA C 55.713 0.300 1 278 32 32 GLU CB C 31.615 0.300 1 279 32 32 GLU CG C 37.124 0.300 1 280 32 32 GLU N N 121.304 0.300 1 281 33 33 VAL H H 9.136 0.030 1 282 33 33 VAL HA H 5.001 0.030 1 283 33 33 VAL HB H 1.934 0.030 1 284 33 33 VAL HG1 H 0.352 0.030 1 285 33 33 VAL HG2 H 0.429 0.030 1 286 33 33 VAL C C 174.395 0.300 1 287 33 33 VAL CA C 58.765 0.300 1 288 33 33 VAL CB C 34.596 0.300 1 289 33 33 VAL CG1 C 21.390 0.300 2 290 33 33 VAL CG2 C 18.850 0.300 2 291 33 33 VAL N N 117.728 0.300 1 292 34 34 GLN H H 8.551 0.030 1 293 34 34 GLN HA H 5.052 0.030 1 294 34 34 GLN HB2 H 2.016 0.030 2 295 34 34 GLN HB3 H 1.918 0.030 2 296 34 34 GLN HE21 H 7.489 0.030 2 297 34 34 GLN HE22 H 6.834 0.030 2 298 34 34 GLN HG2 H 2.371 0.030 2 299 34 34 GLN HG3 H 2.286 0.030 2 300 34 34 GLN C C 175.752 0.300 1 301 34 34 GLN CA C 54.328 0.300 1 302 34 34 GLN CB C 30.760 0.300 1 303 34 34 GLN CG C 34.058 0.300 1 304 34 34 GLN N N 119.032 0.300 1 305 34 34 GLN NE2 N 111.979 0.300 1 306 35 35 VAL H H 9.180 0.030 1 307 35 35 VAL HA H 4.144 0.030 1 308 35 35 VAL HB H 1.908 0.030 1 309 35 35 VAL HG1 H 0.765 0.030 1 310 35 35 VAL HG2 H 0.417 0.030 1 311 35 35 VAL C C 175.602 0.300 1 312 35 35 VAL CA C 63.035 0.300 1 313 35 35 VAL CB C 32.056 0.300 1 314 35 35 VAL CG1 C 23.336 0.300 2 315 35 35 VAL CG2 C 22.129 0.300 2 316 35 35 VAL N N 124.135 0.300 1 317 36 36 LEU H H 9.175 0.030 1 318 36 36 LEU HA H 4.429 0.030 1 319 36 36 LEU HB2 H 1.678 0.030 1 320 36 36 LEU HB3 H 1.678 0.030 1 321 36 36 LEU HD1 H 0.781 0.030 1 322 36 36 LEU HD2 H 0.755 0.030 1 323 36 36 LEU HG H 1.599 0.030 1 324 36 36 LEU C C 177.299 0.300 1 325 36 36 LEU CA C 55.785 0.300 1 326 36 36 LEU CB C 42.924 0.300 1 327 36 36 LEU CD1 C 25.335 0.300 2 328 36 36 LEU CD2 C 22.934 0.300 2 329 36 36 LEU CG C 27.714 0.300 1 330 36 36 LEU N N 129.320 0.300 1 331 37 37 GLU H H 7.569 0.030 1 332 37 37 GLU HA H 4.414 0.030 1 333 37 37 GLU HB2 H 1.940 0.030 2 334 37 37 GLU HB3 H 1.865 0.030 2 335 37 37 GLU HG2 H 2.245 0.030 2 336 37 37 GLU HG3 H 2.138 0.030 2 337 37 37 GLU C C 174.132 0.300 1 338 37 37 GLU CA C 56.244 0.300 1 339 37 37 GLU CB C 33.236 0.300 1 340 37 37 GLU CG C 36.368 0.300 1 341 37 37 GLU N N 116.925 0.300 1 342 38 38 LYS H H 8.693 0.030 1 343 38 38 LYS HA H 4.181 0.030 1 344 38 38 LYS HB2 H 1.316 0.030 2 345 38 38 LYS HB3 H 1.101 0.030 2 346 38 38 LYS HD2 H 1.072 0.030 2 347 38 38 LYS HD3 H 0.874 0.030 2 348 38 38 LYS HE2 H 2.228 0.030 2 349 38 38 LYS HE3 H 1.406 0.030 2 350 38 38 LYS HG2 H 0.422 0.030 2 351 38 38 LYS HG3 H -1.159 0.030 2 352 38 38 LYS C C 175.877 0.300 1 353 38 38 LYS CA C 55.579 0.300 1 354 38 38 LYS CB C 34.965 0.300 1 355 38 38 LYS CD C 30.022 0.300 1 356 38 38 LYS CE C 41.581 0.300 1 357 38 38 LYS CG C 24.171 0.300 1 358 38 38 LYS N N 124.828 0.300 1 359 39 39 GLN H H 7.682 0.030 1 360 39 39 GLN HA H 4.896 0.030 1 361 39 39 GLN HB2 H 2.712 0.030 2 362 39 39 GLN HB3 H 2.573 0.030 2 363 39 39 GLN HE21 H 7.397 0.030 2 364 39 39 GLN HE22 H 6.624 0.030 2 365 39 39 GLN HG2 H 2.698 0.030 2 366 39 39 GLN HG3 H 2.590 0.030 2 367 39 39 GLN C C 177.964 0.300 1 368 39 39 GLN CA C 55.324 0.300 1 369 39 39 GLN CB C 31.670 0.300 1 370 39 39 GLN CG C 34.612 0.300 1 371 39 39 GLN N N 119.391 0.300 1 372 39 39 GLN NE2 N 112.619 0.300 1 373 40 40 GLU HA H 4.308 0.030 1 374 40 40 GLU HB2 H 2.241 0.030 2 375 40 40 GLU HB3 H 2.119 0.030 2 376 40 40 GLU HG2 H 2.421 0.030 1 377 40 40 GLU HG3 H 2.421 0.030 1 378 40 40 GLU C C 176.777 0.300 1 379 40 40 GLU CA C 58.541 0.300 1 380 40 40 GLU CB C 29.363 0.300 1 381 40 40 GLU CG C 36.441 0.300 1 382 41 41 SER H H 7.986 0.030 1 383 41 41 SER HA H 4.413 0.030 1 384 41 41 SER HB2 H 4.206 0.030 2 385 41 41 SER HB3 H 4.094 0.030 2 386 41 41 SER C C 175.434 0.300 1 387 41 41 SER CA C 58.707 0.300 1 388 41 41 SER CB C 63.871 0.300 1 389 41 41 SER N N 113.216 0.300 1 390 42 42 GLY H H 8.135 0.030 1 391 42 42 GLY HA2 H 4.347 0.030 2 392 42 42 GLY HA3 H 3.625 0.030 2 393 42 42 GLY C C 173.338 0.300 1 394 42 42 GLY CA C 44.998 0.300 1 395 42 42 GLY N N 108.513 0.300 1 396 43 43 TRP H H 7.820 0.030 1 397 43 43 TRP HA H 4.942 0.030 1 398 43 43 TRP HB2 H 3.253 0.030 2 399 43 43 TRP HB3 H 2.861 0.030 2 400 43 43 TRP HD1 H 7.009 0.030 1 401 43 43 TRP HE1 H 10.085 0.030 1 402 43 43 TRP HE3 H 7.366 0.030 1 403 43 43 TRP HH2 H 7.300 0.030 1 404 43 43 TRP HZ2 H 7.455 0.030 1 405 43 43 TRP HZ3 H 6.804 0.030 1 406 43 43 TRP C C 174.648 0.300 1 407 43 43 TRP CA C 57.245 0.300 1 408 43 43 TRP CB C 30.102 0.300 1 409 43 43 TRP CD1 C 126.801 0.300 1 410 43 43 TRP CE3 C 119.237 0.300 1 411 43 43 TRP CH2 C 125.765 0.300 1 412 43 43 TRP CZ2 C 114.657 0.300 1 413 43 43 TRP CZ3 C 121.126 0.300 1 414 43 43 TRP N N 122.320 0.300 1 415 43 43 TRP NE1 N 129.517 0.300 1 416 44 44 TRP H H 9.769 0.030 1 417 44 44 TRP HA H 5.875 0.030 1 418 44 44 TRP HB2 H 3.094 0.030 2 419 44 44 TRP HB3 H 2.879 0.030 2 420 44 44 TRP HD1 H 7.443 0.030 1 421 44 44 TRP HE1 H 10.404 0.030 1 422 44 44 TRP HE3 H 6.816 0.030 1 423 44 44 TRP HH2 H 7.060 0.030 1 424 44 44 TRP HZ2 H 7.460 0.030 1 425 44 44 TRP HZ3 H 5.705 0.030 1 426 44 44 TRP C C 173.703 0.300 1 427 44 44 TRP CA C 53.298 0.300 1 428 44 44 TRP CB C 32.961 0.300 1 429 44 44 TRP CD1 C 122.423 0.300 1 430 44 44 TRP CE3 C 121.318 0.300 1 431 44 44 TRP CH2 C 125.528 0.300 1 432 44 44 TRP CZ2 C 114.093 0.300 1 433 44 44 TRP CZ3 C 121.352 0.300 1 434 44 44 TRP N N 125.138 0.300 1 435 44 44 TRP NE1 N 127.723 0.300 1 436 45 45 TYR H H 9.168 0.030 1 437 45 45 TYR HA H 4.173 0.030 1 438 45 45 TYR HB2 H 2.346 0.030 2 439 45 45 TYR HB3 H 0.933 0.030 2 440 45 45 TYR HD1 H 5.543 0.030 1 441 45 45 TYR HD2 H 5.543 0.030 1 442 45 45 TYR HE1 H 6.496 0.030 1 443 45 45 TYR HE2 H 6.496 0.030 1 444 45 45 TYR C C 175.086 0.300 1 445 45 45 TYR CA C 58.044 0.300 1 446 45 45 TYR CB C 38.792 0.300 1 447 45 45 TYR CD1 C 132.403 0.300 1 448 45 45 TYR CD2 C 132.403 0.300 1 449 45 45 TYR CE1 C 117.766 0.300 1 450 45 45 TYR CE2 C 117.766 0.300 1 451 45 45 TYR N N 127.429 0.300 1 452 46 46 VAL H H 8.689 0.030 1 453 46 46 VAL HA H 5.142 0.030 1 454 46 46 VAL HB H 1.929 0.030 1 455 46 46 VAL HG1 H 0.794 0.030 1 456 46 46 VAL HG2 H 0.765 0.030 1 457 46 46 VAL C C 172.384 0.300 1 458 46 46 VAL CA C 59.010 0.300 1 459 46 46 VAL CB C 35.502 0.300 1 460 46 46 VAL CG1 C 21.945 0.300 2 461 46 46 VAL CG2 C 20.239 0.300 2 462 46 46 VAL N N 124.245 0.300 1 463 47 47 ARG H H 9.049 0.030 1 464 47 47 ARG HA H 5.163 0.030 1 465 47 47 ARG HB2 H 1.721 0.030 2 466 47 47 ARG HB3 H 1.532 0.030 2 467 47 47 ARG HD2 H 3.250 0.030 2 468 47 47 ARG HD3 H 3.190 0.030 2 469 47 47 ARG HE H 7.178 0.030 1 470 47 47 ARG HG2 H 1.524 0.030 1 471 47 47 ARG HG3 H 1.524 0.030 1 472 47 47 ARG C C 175.057 0.300 1 473 47 47 ARG CA C 54.158 0.300 1 474 47 47 ARG CB C 34.146 0.300 1 475 47 47 ARG CD C 43.796 0.300 1 476 47 47 ARG CG C 27.323 0.300 1 477 47 47 ARG N N 120.700 0.300 1 478 47 47 ARG NE N 84.792 0.300 1 479 48 48 PHE H H 9.042 0.030 1 480 48 48 PHE HA H 5.296 0.030 1 481 48 48 PHE HB2 H 3.015 0.030 2 482 48 48 PHE HB3 H 2.943 0.030 2 483 48 48 PHE HD1 H 7.416 0.030 1 484 48 48 PHE HD2 H 7.416 0.030 1 485 48 48 PHE HE1 H 7.484 0.030 1 486 48 48 PHE HE2 H 7.484 0.030 1 487 48 48 PHE HZ H 7.339 0.030 1 488 48 48 PHE C C 175.133 0.300 1 489 48 48 PHE CA C 54.446 0.300 1 490 48 48 PHE CB C 40.369 0.300 1 491 48 48 PHE CD1 C 131.173 0.300 1 492 48 48 PHE CD2 C 131.173 0.300 1 493 48 48 PHE CE1 C 131.670 0.300 1 494 48 48 PHE CE2 C 131.670 0.300 1 495 48 48 PHE CZ C 129.742 0.300 1 496 48 48 PHE N N 128.029 0.300 1 497 49 49 GLY H H 9.103 0.030 1 498 49 49 GLY HA2 H 3.644 0.030 2 499 49 49 GLY HA3 H 3.503 0.030 2 500 49 49 GLY C C 174.287 0.300 1 501 49 49 GLY CA C 47.008 0.300 1 502 49 49 GLY N N 118.890 0.300 1 503 50 50 GLU H H 8.920 0.030 1 504 50 50 GLU HA H 4.333 0.030 1 505 50 50 GLU HB2 H 2.226 0.030 2 506 50 50 GLU HB3 H 1.831 0.030 2 507 50 50 GLU HG2 H 2.230 0.030 2 508 50 50 GLU HG3 H 2.180 0.030 2 509 50 50 GLU C C 176.000 0.300 1 510 50 50 GLU CA C 56.080 0.300 1 511 50 50 GLU CB C 30.022 0.300 1 512 50 50 GLU CG C 36.372 0.300 1 513 50 50 GLU N N 125.280 0.300 1 514 51 51 LEU H H 7.792 0.030 1 515 51 51 LEU HA H 4.635 0.030 1 516 51 51 LEU HB2 H 2.080 0.030 2 517 51 51 LEU HB3 H 1.589 0.030 2 518 51 51 LEU HD1 H 1.084 0.030 1 519 51 51 LEU HD2 H 0.968 0.030 1 520 51 51 LEU HG H 1.700 0.030 1 521 51 51 LEU C C 175.050 0.300 1 522 51 51 LEU CA C 54.074 0.300 1 523 51 51 LEU CB C 44.171 0.300 1 524 51 51 LEU CD1 C 25.617 0.300 2 525 51 51 LEU CD2 C 23.017 0.300 2 526 51 51 LEU CG C 27.095 0.300 1 527 51 51 LEU N N 121.706 0.300 1 528 52 52 GLU H H 8.165 0.030 1 529 52 52 GLU HA H 5.476 0.030 1 530 52 52 GLU HB2 H 1.698 0.030 1 531 52 52 GLU HB3 H 1.698 0.030 1 532 52 52 GLU HG2 H 2.138 0.030 2 533 52 52 GLU HG3 H 1.994 0.030 2 534 52 52 GLU C C 176.062 0.300 1 535 52 52 GLU CA C 53.810 0.300 1 536 52 52 GLU CB C 33.486 0.300 1 537 52 52 GLU CG C 36.057 0.300 1 538 52 52 GLU N N 116.700 0.300 1 539 53 53 GLY H H 8.091 0.030 1 540 53 53 GLY HA2 H 3.882 0.030 2 541 53 53 GLY HA3 H 3.730 0.030 2 542 53 53 GLY C C 170.279 0.300 1 543 53 53 GLY CA C 45.344 0.300 1 544 53 53 GLY N N 106.613 0.300 1 545 54 54 TRP H H 8.595 0.030 1 546 54 54 TRP HA H 5.348 0.030 1 547 54 54 TRP HB2 H 3.460 0.030 2 548 54 54 TRP HB3 H 3.038 0.030 2 549 54 54 TRP HD1 H 7.505 0.030 1 550 54 54 TRP HE1 H 10.381 0.030 1 551 54 54 TRP HE3 H 7.553 0.030 1 552 54 54 TRP HH2 H 7.133 0.030 1 553 54 54 TRP HZ2 H 7.360 0.030 1 554 54 54 TRP HZ3 H 7.198 0.030 1 555 54 54 TRP C C 175.873 0.300 1 556 54 54 TRP CA C 57.602 0.300 1 557 54 54 TRP CB C 31.176 0.300 1 558 54 54 TRP CD1 C 128.415 0.300 1 559 54 54 TRP CE3 C 120.059 0.300 1 560 54 54 TRP CH2 C 124.357 0.300 1 561 54 54 TRP CZ2 C 115.367 0.300 1 562 54 54 TRP CZ3 C 122.610 0.300 1 563 54 54 TRP N N 120.550 0.300 1 564 54 54 TRP NE1 N 130.292 0.300 1 565 55 55 ALA H H 9.993 0.030 1 566 55 55 ALA HA H 4.978 0.030 1 567 55 55 ALA HB H 1.200 0.030 1 568 55 55 ALA C C 173.642 0.300 1 569 55 55 ALA CA C 49.335 0.300 1 570 55 55 ALA CB C 22.101 0.300 1 571 55 55 ALA N N 122.386 0.300 1 572 56 56 PRO HA H 3.586 0.030 1 573 56 56 PRO HB2 H 1.126 0.030 2 574 56 56 PRO HB3 H 0.878 0.030 2 575 56 56 PRO HD2 H 2.618 0.030 2 576 56 56 PRO HD3 H 2.161 0.030 2 577 56 56 PRO HG2 H 0.953 0.030 2 578 56 56 PRO HG3 H 0.368 0.030 2 579 56 56 PRO C C 178.765 0.300 1 580 56 56 PRO CA C 61.218 0.300 1 581 56 56 PRO CB C 30.430 0.300 1 582 56 56 PRO CD C 49.549 0.300 1 583 56 56 PRO CG C 27.042 0.300 1 584 57 57 SER H H 8.187 0.030 1 585 57 57 SER HA H 2.721 0.030 1 586 57 57 SER HB2 H 1.803 0.030 2 587 57 57 SER HB3 H 1.678 0.030 2 588 57 57 SER C C 175.094 0.300 1 589 57 57 SER CA C 60.865 0.300 1 590 57 57 SER CB C 60.645 0.300 1 591 57 57 SER N N 120.088 0.300 1 592 58 58 HIS H H 7.482 0.030 1 593 58 58 HIS HA H 4.433 0.030 1 594 58 58 HIS HB2 H 3.130 0.030 2 595 58 58 HIS HB3 H 2.729 0.030 2 596 58 58 HIS HD2 H 6.614 0.030 1 597 58 58 HIS HE1 H 7.521 0.030 1 598 58 58 HIS C C 175.763 0.300 1 599 58 58 HIS CA C 56.938 0.300 1 600 58 58 HIS CB C 28.597 0.300 1 601 58 58 HIS CD2 C 118.454 0.300 1 602 58 58 HIS CE1 C 139.008 0.300 1 603 58 58 HIS N N 115.490 0.300 1 604 59 59 TYR H H 7.251 0.030 1 605 59 59 TYR HA H 4.366 0.030 1 606 59 59 TYR HB2 H 3.524 0.030 2 607 59 59 TYR HB3 H 2.789 0.030 2 608 59 59 TYR HD1 H 6.607 0.030 1 609 59 59 TYR HD2 H 6.607 0.030 1 610 59 59 TYR HE1 H 6.768 0.030 1 611 59 59 TYR HE2 H 6.768 0.030 1 612 59 59 TYR C C 173.874 0.300 1 613 59 59 TYR CA C 58.862 0.300 1 614 59 59 TYR CB C 36.586 0.300 1 615 59 59 TYR CD1 C 132.032 0.300 1 616 59 59 TYR CD2 C 132.032 0.300 1 617 59 59 TYR CE1 C 118.244 0.300 1 618 59 59 TYR CE2 C 118.244 0.300 1 619 59 59 TYR N N 120.460 0.300 1 620 60 60 LEU H H 7.574 0.030 1 621 60 60 LEU HA H 4.964 0.030 1 622 60 60 LEU HB2 H 1.646 0.030 2 623 60 60 LEU HB3 H 1.158 0.030 2 624 60 60 LEU HD1 H 0.426 0.030 1 625 60 60 LEU HD2 H 0.332 0.030 1 626 60 60 LEU HG H 1.274 0.030 1 627 60 60 LEU C C 175.663 0.300 1 628 60 60 LEU CA C 53.709 0.300 1 629 60 60 LEU CB C 42.879 0.300 1 630 60 60 LEU CD1 C 25.937 0.300 2 631 60 60 LEU CD2 C 25.124 0.300 2 632 60 60 LEU CG C 27.714 0.300 1 633 60 60 LEU N N 121.690 0.300 1 634 61 61 VAL H H 9.082 0.030 1 635 61 61 VAL HA H 4.309 0.030 1 636 61 61 VAL HB H 2.089 0.030 1 637 61 61 VAL HG1 H 0.878 0.030 1 638 61 61 VAL HG2 H 0.813 0.030 1 639 61 61 VAL C C 174.803 0.300 1 640 61 61 VAL CA C 61.381 0.300 1 641 61 61 VAL CB C 33.607 0.300 1 642 61 61 VAL CG1 C 21.413 0.300 2 643 61 61 VAL CG2 C 20.804 0.300 2 644 61 61 VAL N N 119.010 0.300 1 645 62 62 LEU H H 8.307 0.030 1 646 62 62 LEU HA H 4.288 0.030 1 647 62 62 LEU HB2 H 1.489 0.030 1 648 62 62 LEU HB3 H 1.489 0.030 1 649 62 62 LEU HD1 H 0.603 0.030 1 650 62 62 LEU HD2 H 0.617 0.030 1 651 62 62 LEU HG H 1.480 0.030 1 652 62 62 LEU C C 176.976 0.300 1 653 62 62 LEU CA C 54.807 0.300 1 654 62 62 LEU CB C 42.932 0.300 1 655 62 62 LEU CD1 C 24.408 0.300 2 656 62 62 LEU CD2 C 24.609 0.300 2 657 62 62 LEU CG C 26.744 0.300 1 658 62 62 LEU N N 127.895 0.300 1 659 63 63 ASP H H 8.475 0.030 1 660 63 63 ASP HA H 4.595 0.030 1 661 63 63 ASP HB2 H 2.675 0.030 2 662 63 63 ASP HB3 H 2.512 0.030 2 663 63 63 ASP C C 176.269 0.300 1 664 63 63 ASP CA C 53.903 0.300 1 665 63 63 ASP CB C 41.618 0.300 1 666 63 63 ASP N N 122.904 0.300 1 667 64 64 GLU H H 8.528 0.030 1 668 64 64 GLU HA H 4.220 0.030 1 669 64 64 GLU HB2 H 2.046 0.030 2 670 64 64 GLU HB3 H 1.914 0.030 2 671 64 64 GLU HG2 H 2.218 0.030 1 672 64 64 GLU HG3 H 2.218 0.030 1 673 64 64 GLU C C 176.504 0.300 1 674 64 64 GLU CA C 57.043 0.300 1 675 64 64 GLU CB C 30.214 0.300 1 676 64 64 GLU CG C 36.309 0.300 1 677 64 64 GLU N N 122.471 0.300 1 678 65 65 ASN H H 8.523 0.030 1 679 65 65 ASN HA H 4.661 0.030 1 680 65 65 ASN HB2 H 2.778 0.030 1 681 65 65 ASN HB3 H 2.778 0.030 1 682 65 65 ASN HD21 H 7.713 0.030 2 683 65 65 ASN HD22 H 6.918 0.030 2 684 65 65 ASN C C 175.223 0.300 1 685 65 65 ASN CA C 53.674 0.300 1 686 65 65 ASN CB C 39.088 0.300 1 687 65 65 ASN N N 118.895 0.300 1 688 65 65 ASN ND2 N 113.834 0.300 1 689 66 66 GLU H H 8.222 0.030 1 690 66 66 GLU HA H 4.293 0.030 1 691 66 66 GLU HB2 H 2.062 0.030 2 692 66 66 GLU HB3 H 1.958 0.030 2 693 66 66 GLU HG2 H 2.272 0.030 2 694 66 66 GLU HG3 H 2.181 0.030 2 695 66 66 GLU C C 176.054 0.300 1 696 66 66 GLU CA C 56.432 0.300 1 697 66 66 GLU CB C 30.476 0.300 1 698 66 66 GLU CG C 36.328 0.300 1 699 66 66 GLU N N 120.919 0.300 1 700 67 67 GLN H H 8.293 0.030 1 701 67 67 GLN HA H 4.582 0.030 1 702 67 67 GLN HB2 H 2.083 0.030 2 703 67 67 GLN HB3 H 1.915 0.030 2 704 67 67 GLN HE21 H 7.507 0.030 2 705 67 67 GLN HE22 H 6.863 0.030 2 706 67 67 GLN HG2 H 2.379 0.030 1 707 67 67 GLN HG3 H 2.379 0.030 1 708 67 67 GLN C C 173.836 0.300 1 709 67 67 GLN CA C 53.593 0.300 1 710 67 67 GLN CB C 28.949 0.300 1 711 67 67 GLN CG C 33.497 0.300 1 712 67 67 GLN N N 122.295 0.300 1 713 67 67 GLN NE2 N 112.797 0.300 1 714 68 68 PRO HA H 4.401 0.030 1 715 68 68 PRO HB2 H 2.232 0.030 2 716 68 68 PRO HB3 H 1.841 0.030 2 717 68 68 PRO HD2 H 3.736 0.030 2 718 68 68 PRO HD3 H 3.638 0.030 2 719 68 68 PRO HG2 H 1.968 0.030 1 720 68 68 PRO HG3 H 1.968 0.030 1 721 68 68 PRO CA C 62.882 0.300 1 722 68 68 PRO CB C 32.175 0.300 1 723 68 68 PRO CD C 50.564 0.300 1 724 68 68 PRO CG C 27.220 0.300 1 725 69 69 ASP H H 8.502 0.030 1 726 69 69 ASP HA H 4.836 0.030 1 727 69 69 ASP HB2 H 2.729 0.030 2 728 69 69 ASP HB3 H 2.580 0.030 2 729 69 69 ASP CA C 51.945 0.300 1 730 69 69 ASP CB C 41.305 0.300 1 731 69 69 ASP N N 121.937 0.300 1 732 70 70 PRO HA H 4.437 0.030 1 733 70 70 PRO HB2 H 2.272 0.030 2 734 70 70 PRO HB3 H 2.003 0.030 2 735 70 70 PRO HD2 H 3.874 0.030 2 736 70 70 PRO HD3 H 3.806 0.030 2 737 70 70 PRO HG2 H 2.002 0.030 1 738 70 70 PRO HG3 H 2.002 0.030 1 739 70 70 PRO C C 177.484 0.300 1 740 70 70 PRO CA C 63.777 0.300 1 741 70 70 PRO CB C 32.027 0.300 1 742 70 70 PRO CD C 50.873 0.300 1 743 70 70 PRO CG C 27.107 0.300 1 744 71 71 SER H H 8.506 0.030 1 745 71 71 SER HA H 4.364 0.030 1 746 71 71 SER HB2 H 3.906 0.030 1 747 71 71 SER HB3 H 3.906 0.030 1 748 71 71 SER C C 175.439 0.300 1 749 71 71 SER CA C 59.261 0.300 1 750 71 71 SER CB C 63.771 0.300 1 751 71 71 SER N N 115.901 0.300 1 752 72 72 GLY H H 8.258 0.030 1 753 72 72 GLY HA2 H 3.958 0.030 1 754 72 72 GLY HA3 H 3.958 0.030 1 755 72 72 GLY C C 174.314 0.300 1 756 72 72 GLY CA C 45.469 0.300 1 757 72 72 GLY N N 110.595 0.300 1 758 73 73 LYS H H 8.052 0.030 1 759 73 73 LYS HA H 4.305 0.030 1 760 73 73 LYS HB2 H 1.822 0.030 2 761 73 73 LYS HB3 H 1.730 0.030 2 762 73 73 LYS HD2 H 1.665 0.030 1 763 73 73 LYS HD3 H 1.665 0.030 1 764 73 73 LYS HE2 H 2.974 0.030 1 765 73 73 LYS HE3 H 2.974 0.030 1 766 73 73 LYS HG2 H 1.401 0.030 1 767 73 73 LYS HG3 H 1.401 0.030 1 768 73 73 LYS C C 176.792 0.300 1 769 73 73 LYS CA C 56.420 0.300 1 770 73 73 LYS CB C 33.082 0.300 1 771 73 73 LYS CD C 29.037 0.300 1 772 73 73 LYS CE C 42.153 0.300 1 773 73 73 LYS CG C 24.611 0.300 1 774 73 73 LYS N N 120.614 0.300 1 775 74 74 GLU H H 8.559 0.030 1 776 74 74 GLU HA H 4.305 0.030 1 777 74 74 GLU HB2 H 2.046 0.030 2 778 74 74 GLU HB3 H 1.912 0.030 2 779 74 74 GLU HG2 H 2.278 0.030 2 780 74 74 GLU HG3 H 2.215 0.030 2 781 74 74 GLU C C 176.648 0.300 1 782 74 74 GLU CA C 56.446 0.300 1 783 74 74 GLU CB C 30.215 0.300 1 784 74 74 GLU CG C 36.286 0.300 1 785 74 74 GLU N N 122.000 0.300 1 786 75 75 SER H H 8.364 0.030 1 787 75 75 SER HA H 4.450 0.030 1 788 75 75 SER C C 174.540 0.300 1 789 75 75 SER CA C 58.538 0.300 1 790 75 75 SER CB C 63.977 0.300 1 791 75 75 SER N N 116.992 0.300 1 792 76 76 GLY H H 8.243 0.030 1 793 76 76 GLY HA2 H 4.157 0.030 2 794 76 76 GLY HA3 H 4.058 0.030 2 795 76 76 GLY CA C 44.680 0.300 1 796 76 76 GLY N N 110.704 0.300 1 797 77 77 PRO HA H 4.463 0.030 1 798 77 77 PRO HB2 H 2.278 0.030 2 799 77 77 PRO HB3 H 1.970 0.030 2 800 77 77 PRO HD2 H 3.606 0.030 1 801 77 77 PRO HD3 H 3.606 0.030 1 802 77 77 PRO HG2 H 1.960 0.030 1 803 77 77 PRO HG3 H 1.960 0.030 1 804 77 77 PRO C C 177.454 0.300 1 805 77 77 PRO CA C 63.202 0.300 1 806 77 77 PRO CB C 32.276 0.300 1 807 77 77 PRO CD C 49.791 0.300 1 808 77 77 PRO CG C 27.129 0.300 1 809 78 78 SER H H 8.535 0.030 1 810 78 78 SER HB2 H 3.895 0.030 1 811 78 78 SER HB3 H 3.895 0.030 1 812 78 78 SER C C 174.735 0.300 1 813 78 78 SER CA C 58.373 0.300 1 814 78 78 SER CB C 63.977 0.300 1 815 78 78 SER N N 116.533 0.300 1 stop_ save_