data_5867 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the third SH3 domain of human intersectin 2(KIAA1256) ; _BMRB_accession_number 5867 _BMRB_flat_file_name bmr5867.str _Entry_type original _Submission_date 2003-07-14 _Accession_date 2003-07-14 _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 Suzuki S. . . 2 Hatanaka H. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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" 342 "13C chemical shifts" 289 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-01-11 original author . stop_ _Original_release_date 2006-01-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the third SH3 domain of human intersectin 2(KIAA1256)' _Citation_status submitted _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 Suzuki S. . . 2 Hatanaka H. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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 . loop_ _Keyword 'BETA BARREL' 'SH3 DOMAIN' stop_ save_ ################################## # Molecular system description # ################################## save_system_INTERSECTIN_2 _Saveframe_category molecular_system _Mol_system_name 'INTERSECTIN 2' _Abbreviation_common 'INTERSECTIN 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'INTERSECTIN 2' $INTERSECTIN_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_INTERSECTIN_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'INTERSECTIN 2' _Abbreviation_common 'INTERSECTIN 2' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GSSGSSGGEEYIALYPYSSV EPGDLTFTEGEEILVTQKDG EWWTGSIGDRSGIFPSNYVK PKDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 GLU 10 GLU 11 TYR 12 ILE 13 ALA 14 LEU 15 TYR 16 PRO 17 TYR 18 SER 19 SER 20 VAL 21 GLU 22 PRO 23 GLY 24 ASP 25 LEU 26 THR 27 PHE 28 THR 29 GLU 30 GLY 31 GLU 32 GLU 33 ILE 34 LEU 35 VAL 36 THR 37 GLN 38 LYS 39 ASP 40 GLY 41 GLU 42 TRP 43 TRP 44 THR 45 GLY 46 SER 47 ILE 48 GLY 49 ASP 50 ARG 51 SER 52 GLY 53 ILE 54 PHE 55 PRO 56 SER 57 ASN 58 TYR 59 VAL 60 LYS 61 PRO 62 LYS 63 ASP 64 SER 65 GLY 66 PRO 67 SER 68 SER 69 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1UHF "Solution Structure Of The Third Sh3 Domain Of Human Intersectin 2(Kiaa1256)" 100.00 69 100.00 100.00 5.91e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $INTERSECTIN_2 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_name $INTERSECTIN_2 'cell free synthesis' . . . . . 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 $INTERSECTIN_2 6.6 mM '[U-13C; U-15N]' 'phosphate buffer Na' 20 mM . NaCl 100 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Task collection stop_ _Details Bruker save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B.A.' save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.771 loop_ _Task 'data analysis' stop_ _Details 'Kobayashi, N.' save_ save_Olivia _Saveframe_category software _Name Olivia _Version 1.9.5 loop_ _Task 'data analysis' stop_ _Details 'Yokochi, M.' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Task refinement 'structure solution' stop_ _Details 'Guentert, P.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _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 . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; C13 and N15 chemical shifts were referenced from H1 reference according to the software NMRpipe. ; 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 water C 13 . ppm . external indirect . external . water H 1 . ppm 4.773 internal direct . internal . water N 15 . ppm . external indirect . external . 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'INTERSECTIN 2' _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 . 2 SER CA C 56.037 0.000 1 2 . 2 SER HA H 4.468 0.000 1 3 . 2 SER C C 172.542 0.000 1 4 . 2 SER CB C 61.640 0.000 1 5 . 2 SER HB2 H 3.840 0.000 1 6 . 3 SER H H 8.384 0.000 1 7 . 3 SER N N 117.535 0.000 1 8 . 3 SER CA C 56.229 0.000 1 9 . 3 SER HA H 4.455 0.000 1 10 . 3 SER C C 172.737 0.000 1 11 . 3 SER CB C 61.664 0.000 1 12 . 3 SER HB2 H 3.855 0.000 1 13 . 4 GLY H H 8.399 0.000 1 14 . 4 GLY N N 110.607 0.000 1 15 . 4 GLY CA C 43.090 0.000 1 16 . 4 GLY C C 172.015 0.000 1 17 . 4 GLY HA2 H 3.970 0.000 1 18 . 5 SER H H 8.214 0.000 1 19 . 5 SER N N 115.458 0.000 1 20 . 5 SER CA C 56.066 0.000 1 21 . 5 SER HA H 4.462 0.000 1 22 . 5 SER C C 172.494 0.000 1 23 . 5 SER CB C 61.664 0.000 1 24 . 5 SER HB2 H 3.847 0.000 1 25 . 5 SER HB3 H 3.781 0.000 1 26 . 6 SER H H 8.510 0.000 1 27 . 6 SER N N 117.699 0.000 1 28 . 6 SER CA C 56.245 0.000 1 29 . 6 SER HA H 4.448 0.000 1 30 . 6 SER C C 172.631 0.000 1 31 . 6 SER CB C 61.590 0.000 1 32 . 6 SER HB2 H 3.848 0.000 1 33 . 7 GLY H H 8.328 0.000 1 34 . 7 GLY N N 110.146 0.000 1 35 . 7 GLY CA C 43.001 0.000 1 36 . 7 GLY C C 171.525 0.000 1 37 . 7 GLY HA2 H 3.930 0.000 1 38 . 8 GLY H H 7.968 0.000 1 39 . 8 GLY N N 107.091 0.000 1 40 . 8 GLY CA C 42.542 0.000 1 41 . 8 GLY HA3 H 3.811 0.000 1 42 . 8 GLY C C 170.546 0.000 1 43 . 8 GLY HA2 H 4.013 0.000 1 44 . 9 GLU H H 8.297 0.000 1 45 . 9 GLU N N 119.487 0.000 1 46 . 9 GLU CA C 52.906 0.000 1 47 . 9 GLU HA H 4.629 0.000 1 48 . 9 GLU C C 173.716 0.000 1 49 . 9 GLU CB C 31.836 0.000 1 50 . 9 GLU HB2 H 2.139 0.000 1 51 . 9 GLU HB3 H 1.905 0.000 1 52 . 9 GLU CG C 34.093 0.000 1 53 . 9 GLU HG2 H 2.221 0.000 1 54 . 10 GLU H H 8.749 0.000 1 55 . 10 GLU N N 122.363 0.000 1 56 . 10 GLU CA C 55.273 0.000 1 57 . 10 GLU HA H 4.747 0.000 1 58 . 10 GLU C C 173.419 0.000 1 59 . 10 GLU CB C 28.417 0.000 1 60 . 10 GLU HB2 H 1.943 0.000 1 61 . 10 GLU HB3 H 1.701 0.000 1 62 . 10 GLU CG C 34.091 0.000 1 63 . 10 GLU HG2 H 2.202 0.000 1 64 . 11 TYR H H 9.450 0.000 1 65 . 11 TYR N N 126.055 0.000 1 66 . 11 TYR CA C 54.872 0.000 1 67 . 11 TYR HA H 4.844 0.000 1 68 . 11 TYR C C 171.347 0.000 1 69 . 11 TYR CB C 40.367 0.000 1 70 . 11 TYR HB2 H 2.741 0.000 1 71 . 11 TYR HB3 H 2.677 0.000 1 72 . 11 TYR CD1 C 131.251 0.000 1 73 . 11 TYR HD1 H 6.889 0.000 2 74 . 11 TYR CD2 C 131.251 0.000 1 75 . 11 TYR CE1 C 115.300 0.000 1 76 . 11 TYR HE1 H 6.810 0.000 2 77 . 11 TYR CE2 C 115.300 0.000 1 78 . 12 ILE H H 9.400 0.000 1 79 . 12 ILE N N 118.884 0.000 1 80 . 12 ILE CA C 55.940 0.000 1 81 . 12 ILE HA H 4.739 0.000 1 82 . 12 ILE C C 173.499 0.000 1 83 . 12 ILE CB C 38.500 0.000 1 84 . 12 ILE HB H 1.452 0.000 1 85 . 12 ILE CG2 C 14.553 0.000 1 86 . 12 ILE CG1 C 24.900 0.000 1 87 . 12 ILE HG12 H 0.965 0.000 1 88 . 12 ILE HG13 H 1.289 0.000 1 89 . 12 ILE CD1 C 9.925 0.000 1 90 . 12 ILE HD1 H 0.701 0.000 1 91 . 12 ILE HG2 H 0.676 0.000 1 92 . 13 ALA H H 8.377 0.000 1 93 . 13 ALA N N 126.332 0.000 1 94 . 13 ALA CA C 50.422 0.000 1 95 . 13 ALA HA H 4.309 0.000 1 96 . 13 ALA C C 176.682 0.000 1 97 . 13 ALA CB C 18.492 0.000 1 98 . 13 ALA HB H 1.275 0.000 1 99 . 14 LEU H H 9.452 0.000 1 100 . 14 LEU N N 127.304 0.000 1 101 . 14 LEU CA C 53.516 0.000 1 102 . 14 LEU HA H 3.918 0.000 1 103 . 14 LEU C C 173.018 0.000 1 104 . 14 LEU CB C 41.458 0.000 1 105 . 14 LEU HB2 H 0.840 0.000 1 106 . 14 LEU HB3 H 0.491 0.000 1 107 . 14 LEU CG C 24.484 0.000 1 108 . 14 LEU CD1 C 20.656 0.000 1 109 . 14 LEU HD1 H 0.617 0.000 1 110 . 14 LEU CD2 C 22.977 0.000 1 111 . 14 LEU HD2 H 0.609 0.000 1 112 . 14 LEU HG H 1.152 0.000 1 113 . 15 TYR H H 7.227 0.000 1 114 . 15 TYR N N 114.126 0.000 1 115 . 15 TYR CA C 50.224 0.000 1 116 . 15 TYR HA H 4.992 0.000 1 117 . 15 TYR C C 169.682 0.000 1 118 . 15 TYR CB C 37.879 0.000 1 119 . 15 TYR HB2 H 2.293 0.000 1 120 . 15 TYR HB3 H 3.233 0.000 1 121 . 15 TYR CD1 C 131.689 0.000 1 122 . 15 TYR HD1 H 6.661 0.000 2 123 . 15 TYR CD2 C 131.689 0.000 1 124 . 15 TYR CE1 C 115.500 0.000 1 125 . 15 TYR HE1 H 6.600 0.000 2 126 . 15 TYR CE2 C 115.500 0.000 1 127 . 16 PRO CA C 60.116 0.000 1 128 . 16 PRO HA H 4.571 0.000 1 129 . 16 PRO C C 173.357 0.000 1 130 . 16 PRO CB C 30.104 0.000 1 131 . 16 PRO HB2 H 2.352 0.000 1 132 . 16 PRO HB3 H 2.009 0.000 1 133 . 16 PRO CG C 24.858 0.000 1 134 . 16 PRO HG2 H 2.180 0.000 1 135 . 16 PRO HG3 H 2.212 0.000 1 136 . 16 PRO CD C 47.659 0.000 1 137 . 16 PRO HD2 H 3.830 0.000 1 138 . 16 PRO HD3 H 3.884 0.000 1 139 . 17 TYR H H 7.915 0.000 1 140 . 17 TYR N N 122.201 0.000 1 141 . 17 TYR CA C 54.850 0.000 1 142 . 17 TYR HA H 4.716 0.000 1 143 . 17 TYR C C 171.369 0.000 1 144 . 17 TYR CB C 38.489 0.000 1 145 . 17 TYR HB2 H 2.174 0.000 1 146 . 17 TYR HB3 H 1.191 0.000 1 147 . 17 TYR CD1 C 131.200 0.000 1 148 . 17 TYR HD1 H 7.041 0.000 2 149 . 17 TYR CD2 C 131.200 0.000 1 150 . 17 TYR CE1 C 115.500 0.000 1 151 . 17 TYR HE1 H 6.750 0.000 2 152 . 17 TYR CE2 C 115.500 0.000 1 153 . 18 SER H H 7.707 0.000 1 154 . 18 SER N N 120.692 0.000 1 155 . 18 SER CA C 53.786 0.000 1 156 . 18 SER HA H 4.317 0.000 1 157 . 18 SER C C 169.948 0.000 1 158 . 18 SER CB C 61.929 0.000 1 159 . 18 SER HB2 H 3.562 0.000 1 160 . 18 SER HB3 H 3.507 0.000 1 161 . 19 SER H H 6.876 0.000 1 162 . 19 SER N N 115.308 0.000 1 163 . 19 SER CA C 53.786 0.000 1 164 . 19 SER HA H 4.329 0.000 1 165 . 19 SER C C 172.249 0.000 1 166 . 19 SER CB C 62.758 0.000 1 167 . 19 SER HB2 H 3.436 0.000 1 168 . 19 SER HB3 H 3.085 0.000 1 169 . 20 VAL H H 8.382 0.000 1 170 . 20 VAL N N 117.554 0.000 1 171 . 20 VAL CA C 58.600 0.000 1 172 . 20 VAL HA H 4.406 0.000 1 173 . 20 VAL C C 174.355 0.000 1 174 . 20 VAL CB C 29.074 0.000 1 175 . 20 VAL HB H 2.375 0.000 1 176 . 20 VAL CG1 C 18.773 0.000 1 177 . 20 VAL HG1 H 0.852 0.000 1 178 . 20 VAL CG2 C 16.147 0.000 1 179 . 20 VAL HG2 H 0.758 0.000 1 180 . 21 GLU H H 8.348 0.000 1 181 . 21 GLU N N 125.807 0.000 1 182 . 21 GLU CA C 51.569 0.000 1 183 . 21 GLU HA H 4.458 0.000 1 184 . 21 GLU C C 173.562 0.000 1 185 . 21 GLU CB C 26.651 0.000 1 186 . 21 GLU HB2 H 1.628 0.000 1 187 . 21 GLU HB3 H 1.831 0.000 1 188 . 21 GLU CG C 32.528 0.000 1 189 . 21 GLU HG2 H 2.228 0.000 1 190 . 21 GLU HG3 H 2.162 0.000 1 191 . 22 PRO CA C 61.893 0.000 1 192 . 22 PRO HA H 4.326 0.000 1 193 . 22 PRO C C 175.644 0.000 1 194 . 22 PRO CB C 29.496 0.000 1 195 . 22 PRO HB2 H 2.290 0.000 1 196 . 22 PRO HB3 H 1.899 0.000 1 197 . 22 PRO CG C 25.263 0.000 1 198 . 22 PRO HG2 H 1.974 0.000 1 199 . 22 PRO HG3 H 2.064 0.000 1 200 . 22 PRO CD C 48.706 0.000 1 201 . 22 PRO HD2 H 3.700 0.000 1 202 . 22 PRO HD3 H 3.948 0.000 1 203 . 23 GLY H H 8.724 0.000 1 204 . 23 GLY N N 109.886 0.000 1 205 . 23 GLY CA C 42.839 0.000 1 206 . 23 GLY HA3 H 4.008 0.000 1 207 . 23 GLY C C 172.291 0.000 1 208 . 23 GLY HA2 H 4.070 0.000 1 209 . 24 ASP H H 7.494 0.000 1 210 . 24 ASP N N 121.662 0.000 1 211 . 24 ASP CA C 51.431 0.000 1 212 . 24 ASP HA H 5.338 0.000 1 213 . 24 ASP C C 174.178 0.000 1 214 . 24 ASP CB C 38.652 0.000 1 215 . 24 ASP HB2 H 2.720 0.000 1 216 . 24 ASP HB3 H 2.836 0.000 1 217 . 25 LEU H H 9.671 0.000 1 218 . 25 LEU N N 127.273 0.000 1 219 . 25 LEU CA C 51.598 0.000 1 220 . 25 LEU HA H 4.409 0.000 1 221 . 25 LEU C C 170.819 0.000 1 222 . 25 LEU CB C 41.524 0.000 1 223 . 25 LEU HB2 H 1.926 0.000 1 224 . 25 LEU HB3 H 1.002 0.000 1 225 . 25 LEU CG C 25.121 0.000 1 226 . 25 LEU CD1 C 23.806 0.000 1 227 . 25 LEU HD1 H 0.647 0.000 1 228 . 25 LEU CD2 C 20.790 0.000 1 229 . 25 LEU HD2 H 0.819 0.000 1 230 . 25 LEU HG H 1.589 0.000 1 231 . 26 THR H H 7.118 0.000 1 232 . 26 THR N N 112.136 0.000 1 233 . 26 THR CA C 57.745 0.000 1 234 . 26 THR HA H 4.512 0.000 1 235 . 26 THR C C 172.543 0.000 1 236 . 26 THR CB C 68.666 0.000 1 237 . 26 THR HB H 4.261 0.000 1 238 . 26 THR CG2 C 20.015 0.000 1 239 . 26 THR HG2 H 1.057 0.000 1 240 . 27 PHE H H 8.015 0.000 1 241 . 27 PHE N N 115.043 0.000 1 242 . 27 PHE CA C 53.677 0.000 1 243 . 27 PHE HA H 4.881 0.000 1 244 . 27 PHE C C 173.600 0.000 1 245 . 27 PHE CB C 37.400 0.000 1 246 . 27 PHE HB2 H 3.144 0.000 1 247 . 27 PHE HB3 H 3.025 0.000 1 248 . 27 PHE CD1 C 130.500 0.000 1 249 . 27 PHE HD1 H 6.613 0.000 2 250 . 27 PHE CD2 C 130.500 0.000 1 251 . 27 PHE CE1 C 129.200 0.000 1 252 . 27 PHE HE1 H 7.101 0.000 2 253 . 27 PHE CE2 C 129.200 0.000 1 254 . 27 PHE CZ C 125.820 0.000 1 255 . 27 PHE HZ H 6.559 0.000 1 256 . 28 THR H H 9.629 0.000 1 257 . 28 THR N N 113.872 0.000 1 258 . 28 THR CA C 57.783 0.000 1 259 . 28 THR HA H 4.567 0.000 1 260 . 28 THR C C 171.454 0.000 1 261 . 28 THR CB C 68.666 0.000 1 262 . 28 THR HB H 4.325 0.000 1 263 . 28 THR CG2 C 19.168 0.000 1 264 . 28 THR HG2 H 1.215 0.000 1 265 . 29 GLU H H 8.588 0.000 1 266 . 29 GLU N N 119.426 0.000 1 267 . 29 GLU CA C 56.073 0.000 1 268 . 29 GLU HA H 3.392 0.000 1 269 . 29 GLU C C 174.485 0.000 1 270 . 29 GLU CB C 27.089 0.000 1 271 . 29 GLU HB2 H 1.838 0.000 1 272 . 29 GLU HB3 H 1.722 0.000 1 273 . 29 GLU CG C 32.968 0.000 1 274 . 29 GLU HG2 H 2.137 0.000 1 275 . 29 GLU HG3 H 2.091 0.000 1 276 . 30 GLY H H 8.691 0.000 1 277 . 30 GLY N N 111.928 0.000 1 278 . 30 GLY CA C 42.844 0.000 1 279 . 30 GLY HA3 H 3.418 0.000 1 280 . 30 GLY C C 171.621 0.000 1 281 . 30 GLY HA2 H 4.235 0.000 1 282 . 31 GLU H H 7.236 0.000 1 283 . 31 GLU N N 119.088 0.000 1 284 . 31 GLU CA C 56.705 0.000 1 285 . 31 GLU HA H 4.085 0.000 1 286 . 31 GLU C C 171.946 0.000 1 287 . 31 GLU CB C 28.620 0.000 1 288 . 31 GLU HB2 H 1.896 0.000 1 289 . 31 GLU CG C 36.330 0.000 1 290 . 31 GLU HG2 H 2.512 0.000 1 291 . 31 GLU HG3 H 2.004 0.000 1 292 . 32 GLU H H 8.221 0.000 1 293 . 32 GLU N N 121.318 0.000 1 294 . 32 GLU CA C 53.248 0.000 1 295 . 32 GLU HA H 4.790 0.000 1 296 . 32 GLU C C 173.004 0.000 1 297 . 32 GLU CB C 28.402 0.000 1 298 . 32 GLU HB2 H 1.899 0.000 1 299 . 32 GLU CG C 34.482 0.000 1 300 . 32 GLU HG2 H 2.205 0.000 1 301 . 32 GLU HG3 H 1.934 0.000 1 302 . 33 ILE H H 8.895 0.000 1 303 . 33 ILE N N 126.248 0.000 1 304 . 33 ILE CA C 58.162 0.000 1 305 . 33 ILE HA H 4.048 0.000 1 306 . 33 ILE C C 172.276 0.000 1 307 . 33 ILE CB C 40.656 0.000 1 308 . 33 ILE HB H 0.952 0.000 1 309 . 33 ILE CG2 C 16.189 0.000 1 310 . 33 ILE CG1 C 25.265 0.000 1 311 . 33 ILE HG12 H 0.072 0.000 1 312 . 33 ILE HG13 H 0.798 0.000 1 313 . 33 ILE CD1 C 11.771 0.000 1 314 . 33 ILE HD1 H -0.820 0.000 1 315 . 33 ILE HG2 H 0.406 0.000 1 316 . 34 LEU H H 8.634 0.000 1 317 . 34 LEU N N 128.504 0.000 1 318 . 34 LEU CA C 51.276 0.000 1 319 . 34 LEU HA H 4.783 0.000 1 320 . 34 LEU C C 173.825 0.000 1 321 . 34 LEU CB C 39.699 0.000 1 322 . 34 LEU HB2 H 1.843 0.000 1 323 . 34 LEU HB3 H 1.489 0.000 1 324 . 34 LEU CG C 24.900 0.000 1 325 . 34 LEU CD1 C 21.377 0.000 1 326 . 34 LEU HD1 H 0.725 0.000 1 327 . 34 LEU CD2 C 22.726 0.000 1 328 . 34 LEU HD2 H 0.765 0.000 1 329 . 34 LEU HG H 1.310 0.000 1 330 . 35 VAL H H 9.526 0.000 1 331 . 35 VAL N N 128.445 0.000 1 332 . 35 VAL CA C 61.445 0.000 1 333 . 35 VAL HA H 4.568 0.000 1 334 . 35 VAL C C 175.039 0.000 1 335 . 35 VAL CB C 30.281 0.000 1 336 . 35 VAL HB H 2.050 0.000 1 337 . 35 VAL CG1 C 22.056 0.000 1 338 . 35 VAL HG1 H 1.037 0.000 1 339 . 35 VAL CG2 C 19.537 0.000 1 340 . 35 VAL HG2 H 0.552 0.000 1 341 . 36 THR H H 8.852 0.000 1 342 . 36 THR N N 118.069 0.000 1 343 . 36 THR CA C 59.418 0.000 1 344 . 36 THR HA H 4.436 0.000 1 345 . 36 THR C C 172.532 0.000 1 346 . 36 THR CB C 67.389 0.000 1 347 . 36 THR HB H 4.244 0.000 1 348 . 36 THR CG2 C 19.649 0.000 1 349 . 36 THR HG2 H 1.082 0.000 1 350 . 37 GLN H H 7.448 0.000 1 351 . 37 GLN N N 121.100 0.000 1 352 . 37 GLN CA C 54.291 0.000 1 353 . 37 GLN HA H 4.322 0.000 1 354 . 37 GLN C C 171.157 0.000 1 355 . 37 GLN CB C 29.683 0.000 1 356 . 37 GLN HB2 H 1.921 0.000 1 357 . 37 GLN CG C 31.739 0.000 1 358 . 37 GLN HG2 H 2.229 0.000 1 359 . 37 GLN HG3 H 2.279 0.000 1 360 . 37 GLN NE2 N 111.969 0.000 1 361 . 37 GLN HE21 H 6.728 0.000 1 362 . 37 GLN HE22 H 7.718 0.000 1 363 . 38 LYS H H 8.235 0.000 1 364 . 38 LYS N N 123.648 0.000 1 365 . 38 LYS CA C 52.314 0.000 1 366 . 38 LYS HA H 3.499 0.000 1 367 . 38 LYS C C 172.581 0.000 1 368 . 38 LYS CB C 30.957 0.000 1 369 . 38 LYS HB2 H 0.901 0.000 1 370 . 38 LYS HB3 H 0.887 0.000 1 371 . 38 LYS CG C 21.180 0.000 1 372 . 38 LYS HG2 H 0.281 0.000 1 373 . 38 LYS HG3 H -0.874 0.000 1 374 . 38 LYS CD C 27.526 0.000 1 375 . 38 LYS HD2 H 0.901 0.000 1 376 . 38 LYS CE C 39.124 0.000 1 377 . 38 LYS HE2 H 1.696 0.000 1 378 . 38 LYS HE3 H 2.249 0.000 1 379 . 39 ASP H H 7.604 0.000 1 380 . 39 ASP N N 122.243 0.000 1 381 . 39 ASP CA C 51.165 0.000 1 382 . 39 ASP HA H 4.842 0.000 1 383 . 39 ASP C C 173.507 0.000 1 384 . 39 ASP CB C 39.070 0.000 1 385 . 39 ASP HB2 H 2.770 0.000 1 386 . 39 ASP HB3 H 2.514 0.000 1 387 . 40 GLY H H 8.326 0.000 1 388 . 40 GLY N N 110.684 0.000 1 389 . 40 GLY CA C 44.025 0.000 1 390 . 40 GLY HA3 H 4.120 0.000 1 391 . 40 GLY C C 172.017 0.000 1 392 . 40 GLY HA2 H 3.767 0.000 1 393 . 41 GLU H H 8.750 0.000 1 394 . 41 GLU N N 122.374 0.000 1 395 . 41 GLU CA C 55.041 0.000 1 396 . 41 GLU HA H 3.978 0.000 1 397 . 41 GLU C C 173.459 0.000 1 398 . 41 GLU CB C 27.745 0.000 1 399 . 41 GLU HB2 H 1.839 0.000 1 400 . 41 GLU HB3 H 1.740 0.000 1 401 . 41 GLU CG C 34.137 0.000 1 402 . 41 GLU HG2 H 2.054 0.000 1 403 . 41 GLU HG3 H 1.988 0.000 1 404 . 42 TRP H H 7.732 0.000 1 405 . 42 TRP N N 119.357 0.000 1 406 . 42 TRP CA C 53.752 0.000 1 407 . 42 TRP HA H 4.667 0.000 1 408 . 42 TRP C C 172.763 0.000 1 409 . 42 TRP CB C 27.398 0.000 1 410 . 42 TRP HB2 H 2.848 0.000 1 411 . 42 TRP HB3 H 2.980 0.000 1 412 . 42 TRP CD1 C 124.600 0.000 1 413 . 42 TRP HD1 H 7.137 0.000 1 414 . 42 TRP NE1 N 128.504 0.000 1 415 . 42 TRP HE1 H 9.956 0.000 1 416 . 42 TRP CE3 C 117.800 0.000 1 417 . 42 TRP HE3 H 7.017 0.000 1 418 . 42 TRP CZ2 C 112.208 0.000 1 419 . 42 TRP HZ2 H 7.386 0.000 1 420 . 42 TRP CZ3 C 118.800 0.000 1 421 . 42 TRP HZ3 H 6.773 0.000 1 422 . 42 TRP CH2 C 122.705 0.000 1 423 . 42 TRP HH2 H 7.256 0.000 1 424 . 43 TRP H H 8.412 0.000 1 425 . 43 TRP N N 127.254 0.000 1 426 . 43 TRP CA C 51.210 0.000 1 427 . 43 TRP HA H 4.997 0.000 1 428 . 43 TRP C C 171.420 0.000 1 429 . 43 TRP CB C 30.266 0.000 1 430 . 43 TRP HB2 H 2.760 0.000 1 431 . 43 TRP HB3 H 1.813 0.000 1 432 . 43 TRP CD1 C 120.310 0.000 1 433 . 43 TRP HD1 H 6.514 0.000 1 434 . 43 TRP NE1 N 127.605 0.000 1 435 . 43 TRP HE1 H 9.471 0.000 1 436 . 43 TRP CE3 C 117.974 0.000 1 437 . 43 TRP HE3 H 6.851 0.000 1 438 . 43 TRP CZ2 C 111.933 0.000 1 439 . 43 TRP HZ2 H 7.355 0.000 1 440 . 43 TRP CZ3 C 119.216 0.000 1 441 . 43 TRP HZ3 H 5.654 0.000 1 442 . 43 TRP CH2 C 122.204 0.000 1 443 . 43 TRP HH2 H 6.977 0.000 1 444 . 44 THR H H 8.463 0.000 1 445 . 44 THR N N 113.412 0.000 1 446 . 44 THR CA C 59.539 0.000 1 447 . 44 THR HA H 5.100 0.000 1 448 . 44 THR C C 172.457 0.000 1 449 . 44 THR CB C 67.929 0.000 1 450 . 44 THR HB H 3.794 0.000 1 451 . 44 THR CG2 C 18.682 0.000 1 452 . 44 THR HG2 H 1.114 0.000 1 453 . 45 GLY H H 9.239 0.000 1 454 . 45 GLY N N 112.423 0.000 1 455 . 45 GLY CA C 44.100 0.000 1 456 . 45 GLY HA3 H 3.766 0.000 1 457 . 45 GLY C C 168.731 0.000 1 458 . 45 GLY HA2 H 5.303 0.000 1 459 . 46 SER H H 8.897 0.000 1 460 . 46 SER N N 111.753 0.000 1 461 . 46 SER CA C 54.617 0.000 1 462 . 46 SER HA H 5.635 0.000 1 463 . 46 SER C C 171.453 0.000 1 464 . 46 SER CB C 65.166 0.000 1 465 . 46 SER HB2 H 3.813 0.000 1 466 . 47 ILE H H 8.679 0.000 1 467 . 47 ILE N N 122.778 0.000 1 468 . 47 ILE CA C 59.083 0.000 1 469 . 47 ILE HA H 4.201 0.000 1 470 . 47 ILE C C 174.626 0.000 1 471 . 47 ILE CB C 38.352 0.000 1 472 . 47 ILE HB H 1.613 0.000 1 473 . 47 ILE CG2 C 15.296 0.000 1 474 . 47 ILE CG1 C 24.900 0.000 1 475 . 47 ILE HG12 H 1.329 0.000 1 476 . 47 ILE HG13 H 1.179 0.000 1 477 . 47 ILE CD1 C 12.811 0.000 1 478 . 47 ILE HD1 H 0.760 0.000 1 479 . 47 ILE HG2 H 0.953 0.000 1 480 . 48 GLY H H 9.031 0.000 1 481 . 48 GLY N N 117.390 0.000 1 482 . 48 GLY CA C 45.153 0.000 1 483 . 48 GLY HA3 H 3.644 0.000 1 484 . 48 GLY C C 172.814 0.000 1 485 . 48 GLY HA2 H 3.977 0.000 1 486 . 49 ASP H H 8.711 0.000 1 487 . 49 ASP N N 126.186 0.000 1 488 . 49 ASP CA C 52.422 0.000 1 489 . 49 ASP HA H 4.553 0.000 1 490 . 49 ASP C C 173.687 0.000 1 491 . 49 ASP CB C 38.481 0.000 1 492 . 49 ASP HB2 H 2.723 0.000 1 493 . 50 ARG H H 8.089 0.000 1 494 . 50 ARG N N 121.315 0.000 1 495 . 50 ARG CA C 53.413 0.000 1 496 . 50 ARG HA H 4.590 0.000 1 497 . 50 ARG C C 172.800 0.000 1 498 . 50 ARG CB C 29.720 0.000 1 499 . 50 ARG HB2 H 1.983 0.000 1 500 . 50 ARG HB3 H 1.863 0.000 1 501 . 50 ARG CG C 24.356 0.000 1 502 . 50 ARG HG2 H 1.729 0.000 1 503 . 50 ARG CD C 41.902 0.000 1 504 . 50 ARG HD2 H 3.323 0.000 1 505 . 50 ARG NE N 129.223 0.000 1 506 . 50 ARG HE H 7.244 0.000 1 507 . 50 ARG HH11 H 7.014 0.000 2 508 . 50 ARG HH21 H 7.014 0.000 2 509 . 51 SER H H 8.387 0.000 1 510 . 51 SER N N 114.986 0.000 1 511 . 51 SER CA C 54.838 0.000 1 512 . 51 SER HA H 5.635 0.000 1 513 . 51 SER C C 171.410 0.000 1 514 . 51 SER CB C 64.063 0.000 1 515 . 51 SER HB2 H 3.735 0.000 1 516 . 52 GLY H H 8.801 0.000 1 517 . 52 GLY N N 109.351 0.000 1 518 . 52 GLY CA C 43.403 0.000 1 519 . 52 GLY HA3 H 4.105 0.000 1 520 . 52 GLY C C 169.234 0.000 1 521 . 52 GLY HA2 H 4.294 0.000 1 522 . 53 ILE H H 8.245 0.000 1 523 . 53 ILE N N 113.266 0.000 1 524 . 53 ILE CA C 57.726 0.000 1 525 . 53 ILE HA H 6.150 0.000 1 526 . 53 ILE C C 174.693 0.000 1 527 . 53 ILE CB C 39.638 0.000 1 528 . 53 ILE HB H 1.884 0.000 1 529 . 53 ILE CG2 C 15.467 0.000 1 530 . 53 ILE CG1 C 23.703 0.000 1 531 . 53 ILE HG12 H 1.572 0.000 1 532 . 53 ILE HG13 H 1.020 0.000 1 533 . 53 ILE CD1 C 11.765 0.000 1 534 . 53 ILE HD1 H 0.438 0.000 1 535 . 53 ILE HG2 H 0.917 0.000 1 536 . 54 PHE H H 8.677 0.000 1 537 . 54 PHE N N 116.180 0.000 1 538 . 54 PHE CA C 53.610 0.000 1 539 . 54 PHE HA H 4.857 0.000 1 540 . 54 PHE C C 168.309 0.000 1 541 . 54 PHE CB C 36.295 0.000 1 542 . 54 PHE HB2 H 3.493 0.000 1 543 . 54 PHE HB3 H 2.508 0.000 1 544 . 54 PHE CD1 C 131.689 0.000 1 545 . 54 PHE HD1 H 7.017 0.000 2 546 . 54 PHE CD2 C 131.689 0.000 1 547 . 54 PHE CE1 C 127.553 0.000 1 548 . 54 PHE HE1 H 6.773 0.000 2 549 . 54 PHE CE2 C 127.553 0.000 1 550 . 54 PHE CZ C 125.974 0.000 1 551 . 54 PHE HZ H 6.984 0.000 1 552 . 55 PRO CA C 59.240 0.000 1 553 . 55 PRO HA H 3.610 0.000 1 554 . 55 PRO C C 176.359 0.000 1 555 . 55 PRO CB C 28.402 0.000 1 556 . 55 PRO HB2 H 1.487 0.000 1 557 . 55 PRO HB3 H 1.359 0.000 1 558 . 55 PRO CG C 25.338 0.000 1 559 . 55 PRO HG2 H 0.875 0.000 1 560 . 55 PRO HG3 H 0.653 0.000 1 561 . 55 PRO CD C 47.360 0.000 1 562 . 55 PRO HD2 H 2.279 0.000 1 563 . 55 PRO HD3 H 2.022 0.000 1 564 . 56 SER H H 7.755 0.000 1 565 . 56 SER N N 119.480 0.000 1 566 . 56 SER CA C 58.287 0.000 1 567 . 56 SER HA H 2.476 0.000 1 568 . 56 SER C C 172.198 0.000 1 569 . 56 SER CB C 58.381 0.000 1 570 . 56 SER HB2 H 1.758 0.000 1 571 . 56 SER HB3 H 1.583 0.000 1 572 . 57 ASN H H 7.910 0.000 1 573 . 57 ASN N N 115.444 0.000 1 574 . 57 ASN CA C 51.463 0.000 1 575 . 57 ASN HA H 4.497 0.000 1 576 . 57 ASN C C 173.055 0.000 1 577 . 57 ASN CB C 34.274 0.000 1 578 . 57 ASN HB2 H 2.887 0.000 1 579 . 57 ASN HB3 H 2.591 0.000 1 580 . 57 ASN ND2 N 111.610 0.000 1 581 . 57 ASN HD21 H 7.377 0.000 1 582 . 57 ASN HD22 H 6.477 0.000 1 583 . 58 TYR H H 7.891 0.000 1 584 . 58 TYR N N 118.321 0.000 1 585 . 58 TYR CA C 57.202 0.000 1 586 . 58 TYR HA H 4.571 0.000 1 587 . 58 TYR C C 172.872 0.000 1 588 . 58 TYR CB C 36.027 0.000 1 589 . 58 TYR HB2 H 3.377 0.000 1 590 . 58 TYR HB3 H 3.649 0.000 1 591 . 58 TYR CD1 C 129.959 0.000 1 592 . 58 TYR HD1 H 7.171 0.000 2 593 . 58 TYR CD2 C 129.959 0.000 1 594 . 58 TYR CE1 C 116.140 0.000 1 595 . 58 TYR HE1 H 6.950 0.000 2 596 . 58 TYR CE2 C 116.140 0.000 1 597 . 59 VAL H H 7.148 0.000 1 598 . 59 VAL N N 107.390 0.000 1 599 . 59 VAL CA C 56.343 0.000 1 600 . 59 VAL HA H 5.397 0.000 1 601 . 59 VAL C C 171.810 0.000 1 602 . 59 VAL CB C 34.641 0.000 1 603 . 59 VAL HB H 2.142 0.000 1 604 . 59 VAL CG1 C 20.273 0.000 1 605 . 59 VAL HG1 H 0.362 0.000 1 606 . 59 VAL CG2 C 17.660 0.000 1 607 . 59 VAL HG2 H 0.761 0.000 1 608 . 60 LYS H H 8.882 0.000 1 609 . 60 LYS N N 117.716 0.000 1 610 . 60 LYS CA C 50.845 0.000 1 611 . 60 LYS HA H 5.214 0.000 1 612 . 60 LYS C C 170.156 0.000 1 613 . 60 LYS CB C 32.052 0.000 1 614 . 60 LYS HB2 H 1.886 0.000 1 615 . 60 LYS HB3 H 1.705 0.000 1 616 . 60 LYS CG C 21.052 0.000 1 617 . 60 LYS HG2 H 1.245 0.000 1 618 . 60 LYS CD C 27.260 0.000 1 619 . 60 LYS HD2 H 1.573 0.000 1 620 . 60 LYS CE C 39.700 0.000 1 621 . 60 LYS HE2 H 2.741 0.000 1 622 . 61 PRO CA C 60.917 0.000 1 623 . 61 PRO HA H 3.455 0.000 1 624 . 61 PRO C C 174.106 0.000 1 625 . 61 PRO CB C 29.186 0.000 1 626 . 61 PRO HB2 H 1.963 0.000 1 627 . 61 PRO HB3 H 1.639 0.000 1 628 . 61 PRO CG C 25.338 0.000 1 629 . 61 PRO HG2 H 2.066 0.000 1 630 . 61 PRO HG3 H 1.960 0.000 1 631 . 61 PRO CD C 48.315 0.000 1 632 . 61 PRO HD2 H 3.668 0.000 1 633 . 61 PRO HD3 H 4.024 0.000 1 634 . 62 LYS H H 7.744 0.000 1 635 . 62 LYS N N 123.092 0.000 1 636 . 62 LYS CA C 55.470 0.000 1 637 . 62 LYS HA H 3.838 0.000 1 638 . 62 LYS C C 173.755 0.000 1 639 . 62 LYS CB C 31.460 0.000 1 640 . 62 LYS HB2 H 1.553 0.000 1 641 . 62 LYS HB3 H 1.128 0.000 1 642 . 62 LYS CG C 22.931 0.000 1 643 . 62 LYS HG2 H 1.216 0.000 1 644 . 62 LYS CD C 27.696 0.000 1 645 . 62 LYS HD2 H 1.479 0.000 1 646 . 62 LYS HD3 H 1.391 0.000 1 647 . 62 LYS CE C 39.753 0.000 1 648 . 62 LYS HE2 H 2.791 0.000 1 649 . 63 ASP H H 8.348 0.000 1 650 . 63 ASP N N 122.527 0.000 1 651 . 63 ASP CA C 51.759 0.000 1 652 . 63 ASP HA H 4.559 0.000 1 653 . 63 ASP C C 173.522 0.000 1 654 . 63 ASP CB C 38.984 0.000 1 655 . 63 ASP HB2 H 2.622 0.000 1 656 . 63 ASP HB3 H 2.508 0.000 1 657 . 64 SER H H 8.195 0.000 1 658 . 64 SER N N 116.574 0.000 1 659 . 64 SER CA C 56.061 0.000 1 660 . 64 SER HA H 4.384 0.000 1 661 . 64 SER C C 172.416 0.000 1 662 . 64 SER CB C 61.664 0.000 1 663 . 64 SER HB2 H 3.844 0.000 1 664 . 64 SER HB3 H 3.773 0.000 1 665 . 65 GLY H H 8.264 0.000 1 666 . 65 GLY N N 110.464 0.000 1 667 . 65 GLY CA C 42.626 0.000 1 668 . 65 GLY HA3 H 4.014 0.000 1 669 . 65 GLY C C 169.581 0.000 1 670 . 65 GLY HA2 H 3.811 0.000 1 671 . 66 PRO CA C 60.888 0.000 1 672 . 66 PRO HA H 4.414 0.000 1 673 . 66 PRO C C 175.121 0.000 1 674 . 66 PRO CB C 29.933 0.000 1 675 . 66 PRO HB2 H 2.227 0.000 1 676 . 66 PRO HB3 H 1.911 0.000 1 677 . 66 PRO CG C 24.900 0.000 1 678 . 66 PRO HG2 H 1.953 0.000 1 679 . 66 PRO CD C 47.441 0.000 1 680 . 66 PRO HD2 H 3.564 0.000 1 681 . 67 SER H H 8.443 0.000 1 682 . 67 SER N N 116.116 0.000 1 683 . 67 SER CA C 56.060 0.000 1 684 . 67 SER HA H 4.420 0.000 1 685 . 67 SER C C 172.397 0.000 1 686 . 67 SER CB C 61.571 0.000 1 687 . 67 SER HB2 H 3.842 0.000 1 688 . 68 SER H H 8.266 0.000 1 689 . 68 SER N N 117.582 0.000 1 690 . 68 SER CA C 56.066 0.000 1 691 . 68 SER HA H 4.424 0.000 1 692 . 68 SER C C 171.630 0.000 1 693 . 68 SER CB C 61.816 0.000 1 694 . 68 SER HB2 H 3.832 0.000 1 695 . 69 GLY H H 7.975 0.000 1 696 . 69 GLY N N 116.523 0.000 1 697 . 69 GLY CA C 43.887 0.000 1 698 . 69 GLY C C 176.690 0.000 1 stop_ save_