data_10323 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 13th filamin domain from human Filamin-B ; _BMRB_accession_number 10323 _BMRB_flat_file_name bmr10323.str _Entry_type original _Submission_date 2009-04-02 _Accession_date 2009-04-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 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" 573 "13C chemical shifts" 446 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-07 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 13th filamin domain from human Filamin-B' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 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 Filamin-B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin 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 'Filamin domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GSSGSSGVVDPSKVKIAGPG LGSGVRARVLQSFTVDSSKA GLAPLEVRVLGPRGLVEPVN VVDNGDGTHTVTYTPSQEGP YMVSVKYADEEIPRSPFKVK VLPTYDAS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 VAL 10 ASP 11 PRO 12 SER 13 LYS 14 VAL 15 LYS 16 ILE 17 ALA 18 GLY 19 PRO 20 GLY 21 LEU 22 GLY 23 SER 24 GLY 25 VAL 26 ARG 27 ALA 28 ARG 29 VAL 30 LEU 31 GLN 32 SER 33 PHE 34 THR 35 VAL 36 ASP 37 SER 38 SER 39 LYS 40 ALA 41 GLY 42 LEU 43 ALA 44 PRO 45 LEU 46 GLU 47 VAL 48 ARG 49 VAL 50 LEU 51 GLY 52 PRO 53 ARG 54 GLY 55 LEU 56 VAL 57 GLU 58 PRO 59 VAL 60 ASN 61 VAL 62 VAL 63 ASP 64 ASN 65 GLY 66 ASP 67 GLY 68 THR 69 HIS 70 THR 71 VAL 72 THR 73 TYR 74 THR 75 PRO 76 SER 77 GLN 78 GLU 79 GLY 80 PRO 81 TYR 82 MET 83 VAL 84 SER 85 VAL 86 LYS 87 TYR 88 ALA 89 ASP 90 GLU 91 GLU 92 ILE 93 PRO 94 ARG 95 SER 96 PRO 97 PHE 98 LYS 99 VAL 100 LYS 101 VAL 102 LEU 103 PRO 104 THR 105 TYR 106 ASP 107 ALA 108 SER 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 2DJ4 "Solution Structure Of The 13th Filamin Domain From Human Filamin-B" 100.00 108 100.00 100.00 5.49e-68 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 P060123-13 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 1.16 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name topspin _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20060324 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 0.9742 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 II' _Field_strength 900 _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 'Filamin 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 1 1 GLY HA2 H 3.879 0.030 1 2 1 1 GLY HA3 H 3.879 0.030 1 3 1 1 GLY CA C 43.725 0.300 1 4 6 6 SER HA H 4.534 0.030 1 5 6 6 SER HB2 H 3.917 0.030 1 6 6 6 SER HB3 H 3.917 0.030 1 7 6 6 SER C C 174.874 0.300 1 8 6 6 SER CA C 58.603 0.300 1 9 6 6 SER CB C 63.915 0.300 1 10 7 7 GLY H H 8.381 0.030 1 11 7 7 GLY HA2 H 4.013 0.030 1 12 7 7 GLY HA3 H 4.013 0.030 1 13 7 7 GLY C C 173.855 0.300 1 14 7 7 GLY CA C 45.185 0.300 1 15 7 7 GLY N N 110.653 0.300 1 16 8 8 VAL H H 7.996 0.030 1 17 8 8 VAL HA H 4.084 0.030 1 18 8 8 VAL HB H 2.022 0.030 1 19 8 8 VAL HG1 H 0.957 0.030 1 20 8 8 VAL HG2 H 0.915 0.030 1 21 8 8 VAL C C 176.023 0.300 1 22 8 8 VAL CA C 62.531 0.300 1 23 8 8 VAL CB C 32.702 0.300 1 24 8 8 VAL CG1 C 20.830 0.300 2 25 8 8 VAL CG2 C 21.165 0.300 2 26 8 8 VAL N N 120.286 0.300 1 27 9 9 VAL H H 8.365 0.030 1 28 9 9 VAL HA H 4.649 0.030 1 29 9 9 VAL HB H 1.946 0.030 1 30 9 9 VAL HG1 H 0.962 0.030 1 31 9 9 VAL HG2 H 0.833 0.030 1 32 9 9 VAL C C 176.089 0.300 1 33 9 9 VAL CA C 61.713 0.300 1 34 9 9 VAL CB C 32.675 0.300 1 35 9 9 VAL CG1 C 22.024 0.300 2 36 9 9 VAL CG2 C 21.196 0.300 2 37 9 9 VAL N N 126.752 0.300 1 38 10 10 ASP H H 8.673 0.030 1 39 10 10 ASP HA H 5.140 0.030 1 40 10 10 ASP HB2 H 2.950 0.030 2 41 10 10 ASP HB3 H 2.412 0.030 2 42 10 10 ASP C C 173.913 0.300 1 43 10 10 ASP CA C 50.576 0.300 1 44 10 10 ASP CB C 41.877 0.300 1 45 10 10 ASP N N 124.369 0.300 1 46 11 11 PRO HA H 4.241 0.030 1 47 11 11 PRO HB2 H 2.142 0.030 2 48 11 11 PRO HB3 H 2.591 0.030 2 49 11 11 PRO HD2 H 3.732 0.030 2 50 11 11 PRO HD3 H 3.953 0.030 2 51 11 11 PRO HG2 H 1.874 0.030 2 52 11 11 PRO HG3 H 2.243 0.030 2 53 11 11 PRO C C 176.218 0.300 1 54 11 11 PRO CA C 64.374 0.300 1 55 11 11 PRO CB C 32.665 0.300 1 56 11 11 PRO CD C 51.126 0.300 1 57 11 11 PRO CG C 28.790 0.300 1 58 12 12 SER H H 8.014 0.030 1 59 12 12 SER HA H 4.237 0.030 1 60 12 12 SER HB2 H 3.983 0.030 2 61 12 12 SER HB3 H 4.058 0.030 2 62 12 12 SER C C 175.591 0.300 1 63 12 12 SER CA C 60.667 0.300 1 64 12 12 SER CB C 62.914 0.300 1 65 12 12 SER N N 109.665 0.300 1 66 13 13 LYS H H 7.790 0.030 1 67 13 13 LYS HA H 4.347 0.030 1 68 13 13 LYS HB2 H 1.573 0.030 2 69 13 13 LYS HB3 H 1.837 0.030 2 70 13 13 LYS HD2 H 1.595 0.030 1 71 13 13 LYS HD3 H 1.595 0.030 1 72 13 13 LYS HE2 H 3.001 0.030 1 73 13 13 LYS HE3 H 3.001 0.030 1 74 13 13 LYS HG2 H 1.243 0.030 2 75 13 13 LYS HG3 H 1.471 0.030 2 76 13 13 LYS C C 176.998 0.300 1 77 13 13 LYS CA C 55.210 0.300 1 78 13 13 LYS CB C 32.850 0.300 1 79 13 13 LYS CD C 28.846 0.300 1 80 13 13 LYS CE C 42.447 0.300 1 81 13 13 LYS CG C 25.578 0.300 1 82 13 13 LYS N N 119.498 0.300 1 83 14 14 VAL H H 7.326 0.030 1 84 14 14 VAL HA H 3.847 0.030 1 85 14 14 VAL HB H 1.948 0.030 1 86 14 14 VAL HG1 H 0.335 0.030 1 87 14 14 VAL HG2 H 0.575 0.030 1 88 14 14 VAL C C 174.792 0.300 1 89 14 14 VAL CA C 63.893 0.300 1 90 14 14 VAL CB C 31.242 0.300 1 91 14 14 VAL CG1 C 23.638 0.300 2 92 14 14 VAL CG2 C 23.168 0.300 2 93 14 14 VAL N N 122.825 0.300 1 94 15 15 LYS H H 8.353 0.030 1 95 15 15 LYS HA H 4.825 0.030 1 96 15 15 LYS HB2 H 1.763 0.030 2 97 15 15 LYS HB3 H 1.991 0.030 2 98 15 15 LYS HD2 H 1.708 0.030 1 99 15 15 LYS HD3 H 1.708 0.030 1 100 15 15 LYS HE2 H 3.005 0.030 1 101 15 15 LYS HE3 H 3.005 0.030 1 102 15 15 LYS HG2 H 1.405 0.030 2 103 15 15 LYS HG3 H 1.511 0.030 2 104 15 15 LYS C C 174.706 0.300 1 105 15 15 LYS CA C 54.484 0.300 1 106 15 15 LYS CB C 36.152 0.300 1 107 15 15 LYS CD C 29.163 0.300 1 108 15 15 LYS CE C 42.134 0.300 1 109 15 15 LYS CG C 24.765 0.300 1 110 15 15 LYS N N 127.600 0.300 1 111 16 16 ILE H H 8.567 0.030 1 112 16 16 ILE HA H 5.334 0.030 1 113 16 16 ILE HB H 1.625 0.030 1 114 16 16 ILE HD1 H 0.433 0.030 1 115 16 16 ILE HG12 H 1.300 0.030 2 116 16 16 ILE HG13 H 0.813 0.030 2 117 16 16 ILE HG2 H 0.749 0.030 1 118 16 16 ILE C C 174.170 0.300 1 119 16 16 ILE CA C 58.727 0.300 1 120 16 16 ILE CB C 41.603 0.300 1 121 16 16 ILE CD1 C 14.921 0.300 1 122 16 16 ILE CG1 C 27.032 0.300 1 123 16 16 ILE CG2 C 18.476 0.300 1 124 16 16 ILE N N 118.892 0.300 1 125 17 17 ALA H H 8.547 0.030 1 126 17 17 ALA HA H 4.554 0.030 1 127 17 17 ALA HB H 1.455 0.030 1 128 17 17 ALA C C 176.076 0.300 1 129 17 17 ALA CA C 52.190 0.300 1 130 17 17 ALA CB C 22.646 0.300 1 131 17 17 ALA N N 124.801 0.300 1 132 18 18 GLY H H 8.392 0.030 1 133 18 18 GLY HA2 H 4.122 0.030 2 134 18 18 GLY HA3 H 5.021 0.030 2 135 18 18 GLY C C 173.589 0.300 1 136 18 18 GLY CA C 45.294 0.300 1 137 18 18 GLY N N 107.123 0.300 1 138 19 19 PRO HA H 4.508 0.030 1 139 19 19 PRO HB2 H 2.335 0.030 1 140 19 19 PRO HB3 H 2.335 0.030 1 141 19 19 PRO HD2 H 3.627 0.030 2 142 19 19 PRO HD3 H 3.910 0.030 2 143 19 19 PRO HG2 H 2.106 0.030 2 144 19 19 PRO HG3 H 2.469 0.030 2 145 19 19 PRO C C 180.071 0.300 1 146 19 19 PRO CA C 65.025 0.300 1 147 19 19 PRO CB C 31.373 0.300 1 148 19 19 PRO CD C 50.305 0.300 1 149 19 19 PRO CG C 27.202 0.300 1 150 20 20 GLY H H 8.952 0.030 1 151 20 20 GLY HA2 H 3.506 0.030 2 152 20 20 GLY HA3 H 4.518 0.030 2 153 20 20 GLY C C 171.643 0.300 1 154 20 20 GLY CA C 47.165 0.300 1 155 20 20 GLY N N 106.614 0.300 1 156 21 21 LEU H H 7.143 0.030 1 157 21 21 LEU HA H 4.518 0.030 1 158 21 21 LEU HB2 H 1.302 0.030 2 159 21 21 LEU HB3 H 1.159 0.030 2 160 21 21 LEU HD1 H -0.399 0.030 1 161 21 21 LEU HD2 H -0.146 0.030 1 162 21 21 LEU HG H 0.416 0.030 1 163 21 21 LEU C C 177.413 0.300 1 164 21 21 LEU CA C 53.276 0.300 1 165 21 21 LEU CB C 42.335 0.300 1 166 21 21 LEU CD1 C 25.020 0.300 2 167 21 21 LEU CD2 C 21.626 0.300 2 168 21 21 LEU CG C 26.272 0.300 1 169 21 21 LEU N N 116.859 0.300 1 170 22 22 GLY H H 7.592 0.030 1 171 22 22 GLY HA2 H 3.898 0.030 2 172 22 22 GLY HA3 H 4.520 0.030 2 173 22 22 GLY C C 173.668 0.300 1 174 22 22 GLY CA C 45.191 0.300 1 175 22 22 GLY N N 108.771 0.300 1 176 23 23 SER H H 8.366 0.030 1 177 23 23 SER HA H 4.676 0.030 1 178 23 23 SER HB2 H 4.065 0.030 2 179 23 23 SER HB3 H 3.971 0.030 2 180 23 23 SER C C 175.521 0.300 1 181 23 23 SER CA C 59.033 0.300 1 182 23 23 SER CB C 64.173 0.300 1 183 23 23 SER N N 113.272 0.300 1 184 24 24 GLY H H 8.714 0.030 1 185 24 24 GLY HA2 H 3.638 0.030 2 186 24 24 GLY HA3 H 4.343 0.030 2 187 24 24 GLY C C 174.545 0.300 1 188 24 24 GLY CA C 45.226 0.300 1 189 24 24 GLY N N 112.353 0.300 1 190 25 25 VAL H H 8.345 0.030 1 191 25 25 VAL HA H 3.304 0.030 1 192 25 25 VAL HB H 1.963 0.030 1 193 25 25 VAL HG1 H 0.734 0.030 1 194 25 25 VAL HG2 H 0.835 0.030 1 195 25 25 VAL C C 174.083 0.300 1 196 25 25 VAL CA C 64.608 0.300 1 197 25 25 VAL CB C 30.967 0.300 1 198 25 25 VAL CG1 C 22.937 0.300 2 199 25 25 VAL CG2 C 21.198 0.300 2 200 25 25 VAL N N 125.004 0.300 1 201 26 26 ARG H H 6.852 0.030 1 202 26 26 ARG HA H 4.605 0.030 1 203 26 26 ARG HB2 H 1.383 0.030 2 204 26 26 ARG HB3 H 1.447 0.030 2 205 26 26 ARG HD2 H 2.934 0.030 2 206 26 26 ARG HD3 H 3.150 0.030 2 207 26 26 ARG HE H 7.120 0.030 1 208 26 26 ARG HG2 H 1.503 0.030 2 209 26 26 ARG HG3 H 1.425 0.030 2 210 26 26 ARG C C 174.291 0.300 1 211 26 26 ARG CA C 54.282 0.300 1 212 26 26 ARG CB C 33.594 0.300 1 213 26 26 ARG CD C 43.154 0.300 1 214 26 26 ARG CG C 28.204 0.300 1 215 26 26 ARG N N 125.701 0.300 1 216 26 26 ARG NE N 84.856 0.300 1 217 27 27 ALA H H 8.168 0.030 1 218 27 27 ALA HA H 3.655 0.030 1 219 27 27 ALA HB H 1.009 0.030 1 220 27 27 ALA C C 177.693 0.300 1 221 27 27 ALA CA C 52.699 0.300 1 222 27 27 ALA CB C 18.042 0.300 1 223 27 27 ALA N N 122.377 0.300 1 224 28 28 ARG H H 9.127 0.030 1 225 28 28 ARG HA H 3.359 0.030 1 226 28 28 ARG HB2 H 1.959 0.030 2 227 28 28 ARG HB3 H 2.104 0.030 2 228 28 28 ARG HD2 H 3.182 0.030 2 229 28 28 ARG HD3 H 3.232 0.030 2 230 28 28 ARG HG2 H 1.487 0.030 2 231 28 28 ARG HG3 H 1.377 0.030 2 232 28 28 ARG C C 174.384 0.300 1 233 28 28 ARG CA C 57.752 0.300 1 234 28 28 ARG CB C 26.859 0.300 1 235 28 28 ARG CD C 43.347 0.300 1 236 28 28 ARG CG C 28.057 0.300 1 237 28 28 ARG N N 111.237 0.300 1 238 29 29 VAL H H 7.531 0.030 1 239 29 29 VAL HA H 4.066 0.030 1 240 29 29 VAL HB H 1.741 0.030 1 241 29 29 VAL HG1 H 0.917 0.030 1 242 29 29 VAL HG2 H 0.748 0.030 1 243 29 29 VAL C C 174.841 0.300 1 244 29 29 VAL CA C 61.537 0.300 1 245 29 29 VAL CB C 33.058 0.300 1 246 29 29 VAL CG1 C 20.837 0.300 2 247 29 29 VAL CG2 C 21.472 0.300 2 248 29 29 VAL N N 122.159 0.300 1 249 30 30 LEU H H 8.157 0.030 1 250 30 30 LEU HA H 4.167 0.030 1 251 30 30 LEU HB2 H 1.387 0.030 2 252 30 30 LEU HB3 H 1.568 0.030 2 253 30 30 LEU HD1 H 0.768 0.030 1 254 30 30 LEU HD2 H 0.768 0.030 1 255 30 30 LEU HG H 1.374 0.030 1 256 30 30 LEU C C 176.007 0.300 1 257 30 30 LEU CA C 57.177 0.300 1 258 30 30 LEU CB C 42.479 0.300 1 259 30 30 LEU CD1 C 24.823 0.300 2 260 30 30 LEU CD2 C 25.857 0.300 2 261 30 30 LEU CG C 26.717 0.300 1 262 30 30 LEU N N 129.970 0.300 1 263 31 31 GLN H H 8.989 0.030 1 264 31 31 GLN HA H 4.622 0.030 1 265 31 31 GLN HB2 H 1.830 0.030 2 266 31 31 GLN HB3 H 0.898 0.030 2 267 31 31 GLN HE21 H 6.889 0.030 2 268 31 31 GLN HE22 H 7.508 0.030 2 269 31 31 GLN HG2 H 1.737 0.030 2 270 31 31 GLN HG3 H 2.622 0.030 2 271 31 31 GLN C C 175.275 0.300 1 272 31 31 GLN CA C 52.383 0.300 1 273 31 31 GLN CB C 31.145 0.300 1 274 31 31 GLN CG C 33.054 0.300 1 275 31 31 GLN N N 126.212 0.300 1 276 31 31 GLN NE2 N 115.390 0.300 1 277 32 32 SER H H 8.201 0.030 1 278 32 32 SER HA H 5.922 0.030 1 279 32 32 SER HB2 H 3.556 0.030 2 280 32 32 SER HB3 H 3.615 0.030 2 281 32 32 SER C C 174.458 0.300 1 282 32 32 SER CA C 56.071 0.300 1 283 32 32 SER CB C 67.022 0.300 1 284 32 32 SER N N 111.198 0.300 1 285 33 33 PHE H H 9.057 0.030 1 286 33 33 PHE HA H 5.198 0.030 1 287 33 33 PHE HB2 H 2.826 0.030 2 288 33 33 PHE HB3 H 3.176 0.030 2 289 33 33 PHE HD1 H 6.812 0.030 1 290 33 33 PHE HD2 H 6.812 0.030 1 291 33 33 PHE HE1 H 6.858 0.030 1 292 33 33 PHE HE2 H 6.858 0.030 1 293 33 33 PHE HZ H 6.770 0.030 1 294 33 33 PHE C C 172.024 0.300 1 295 33 33 PHE CA C 57.493 0.300 1 296 33 33 PHE CB C 40.326 0.300 1 297 33 33 PHE CD1 C 132.463 0.300 1 298 33 33 PHE CD2 C 132.463 0.300 1 299 33 33 PHE CE1 C 130.148 0.300 1 300 33 33 PHE CE2 C 130.148 0.300 1 301 33 33 PHE CZ C 128.992 0.300 1 302 33 33 PHE N N 117.628 0.300 1 303 34 34 THR H H 9.430 0.030 1 304 34 34 THR HA H 5.362 0.030 1 305 34 34 THR HB H 4.013 0.030 1 306 34 34 THR HG2 H 1.206 0.030 1 307 34 34 THR C C 174.034 0.300 1 308 34 34 THR CA C 61.825 0.300 1 309 34 34 THR CB C 71.722 0.300 1 310 34 34 THR CG2 C 21.505 0.300 1 311 34 34 THR N N 115.891 0.300 1 312 35 35 VAL H H 9.326 0.030 1 313 35 35 VAL HA H 4.584 0.030 1 314 35 35 VAL HB H 2.032 0.030 1 315 35 35 VAL HG1 H 0.785 0.030 1 316 35 35 VAL HG2 H 1.006 0.030 1 317 35 35 VAL C C 174.544 0.300 1 318 35 35 VAL CA C 61.199 0.300 1 319 35 35 VAL CB C 33.689 0.300 1 320 35 35 VAL CG1 C 21.543 0.300 2 321 35 35 VAL CG2 C 21.200 0.300 2 322 35 35 VAL N N 125.947 0.300 1 323 36 36 ASP H H 9.548 0.030 1 324 36 36 ASP HA H 5.239 0.030 1 325 36 36 ASP HB2 H 2.508 0.030 2 326 36 36 ASP HB3 H 2.979 0.030 2 327 36 36 ASP C C 176.189 0.300 1 328 36 36 ASP CA C 52.784 0.300 1 329 36 36 ASP CB C 41.430 0.300 1 330 36 36 ASP N N 127.793 0.300 1 331 37 37 SER H H 9.250 0.030 1 332 37 37 SER HA H 4.408 0.030 1 333 37 37 SER HB2 H 2.980 0.030 2 334 37 37 SER HB3 H 4.192 0.030 2 335 37 37 SER C C 176.351 0.300 1 336 37 37 SER CA C 57.376 0.300 1 337 37 37 SER CB C 64.185 0.300 1 338 37 37 SER N N 122.215 0.300 1 339 38 38 SER H H 8.879 0.030 1 340 38 38 SER HA H 4.124 0.030 1 341 38 38 SER HB2 H 3.975 0.030 2 342 38 38 SER HB3 H 4.075 0.030 2 343 38 38 SER C C 176.715 0.300 1 344 38 38 SER CA C 62.706 0.300 1 345 38 38 SER CB C 62.773 0.300 1 346 38 38 SER N N 121.890 0.300 1 347 39 39 LYS H H 8.558 0.030 1 348 39 39 LYS HA H 4.682 0.030 1 349 39 39 LYS HB2 H 1.573 0.030 2 350 39 39 LYS HB3 H 2.114 0.030 2 351 39 39 LYS HD2 H 1.646 0.030 1 352 39 39 LYS HD3 H 1.646 0.030 1 353 39 39 LYS HE2 H 2.998 0.030 2 354 39 39 LYS HG2 H 1.474 0.030 2 355 39 39 LYS HG3 H 1.544 0.030 2 356 39 39 LYS C C 176.216 0.300 1 357 39 39 LYS CA C 54.999 0.300 1 358 39 39 LYS CB C 32.258 0.300 1 359 39 39 LYS CD C 28.240 0.300 1 360 39 39 LYS CE C 42.230 0.300 1 361 39 39 LYS CG C 24.907 0.300 1 362 39 39 LYS N N 120.703 0.300 1 363 40 40 ALA H H 7.735 0.030 1 364 40 40 ALA HA H 4.410 0.030 1 365 40 40 ALA HB H 1.145 0.030 1 366 40 40 ALA C C 176.716 0.300 1 367 40 40 ALA CA C 52.490 0.300 1 368 40 40 ALA CB C 23.779 0.300 1 369 40 40 ALA N N 122.199 0.300 1 370 41 41 GLY H H 7.748 0.030 1 371 41 41 GLY HA2 H 3.711 0.030 2 372 41 41 GLY HA3 H 4.426 0.030 2 373 41 41 GLY C C 173.137 0.300 1 374 41 41 GLY CA C 44.089 0.300 1 375 41 41 GLY N N 105.880 0.300 1 376 42 42 LEU H H 8.586 0.030 1 377 42 42 LEU HA H 4.450 0.030 1 378 42 42 LEU HB2 H 1.596 0.030 1 379 42 42 LEU HB3 H 1.596 0.030 1 380 42 42 LEU HD1 H 0.945 0.030 1 381 42 42 LEU HD2 H 0.895 0.030 1 382 42 42 LEU HG H 1.518 0.030 1 383 42 42 LEU C C 174.085 0.300 1 384 42 42 LEU CA C 55.698 0.300 1 385 42 42 LEU CB C 42.784 0.300 1 386 42 42 LEU CD1 C 24.495 0.300 2 387 42 42 LEU CD2 C 24.351 0.300 2 388 42 42 LEU CG C 26.961 0.300 1 389 42 42 LEU N N 122.922 0.300 1 390 43 43 ALA H H 7.907 0.030 1 391 43 43 ALA HA H 4.397 0.030 1 392 43 43 ALA HB H 0.786 0.030 1 393 43 43 ALA C C 172.436 0.300 1 394 43 43 ALA CA C 50.163 0.300 1 395 43 43 ALA CB C 21.037 0.300 1 396 43 43 ALA N N 127.160 0.300 1 397 44 44 PRO HA H 4.292 0.030 1 398 44 44 PRO HB2 H 1.686 0.030 2 399 44 44 PRO HB3 H 2.229 0.030 2 400 44 44 PRO HD2 H 3.258 0.030 2 401 44 44 PRO HD3 H 3.553 0.030 2 402 44 44 PRO HG2 H 1.814 0.030 2 403 44 44 PRO HG3 H 1.930 0.030 2 404 44 44 PRO C C 175.675 0.300 1 405 44 44 PRO CA C 62.929 0.300 1 406 44 44 PRO CB C 32.352 0.300 1 407 44 44 PRO CD C 51.126 0.300 1 408 44 44 PRO CG C 28.005 0.300 1 409 45 45 LEU H H 8.438 0.030 1 410 45 45 LEU HA H 5.205 0.030 1 411 45 45 LEU HB2 H 1.162 0.030 2 412 45 45 LEU HB3 H 1.691 0.030 2 413 45 45 LEU HD1 H 0.909 0.030 1 414 45 45 LEU HD2 H 0.308 0.030 1 415 45 45 LEU HG H 1.290 0.030 1 416 45 45 LEU C C 175.636 0.300 1 417 45 45 LEU CA C 53.475 0.300 1 418 45 45 LEU CB C 44.857 0.300 1 419 45 45 LEU CD1 C 24.764 0.300 2 420 45 45 LEU CD2 C 26.040 0.300 2 421 45 45 LEU CG C 27.583 0.300 1 422 45 45 LEU N N 126.206 0.300 1 423 46 46 GLU H H 9.183 0.030 1 424 46 46 GLU HA H 4.733 0.030 1 425 46 46 GLU HB2 H 1.757 0.030 2 426 46 46 GLU HB3 H 1.889 0.030 2 427 46 46 GLU HG2 H 2.162 0.030 1 428 46 46 GLU HG3 H 2.162 0.030 1 429 46 46 GLU C C 174.394 0.300 1 430 46 46 GLU CA C 55.289 0.300 1 431 46 46 GLU CB C 33.571 0.300 1 432 46 46 GLU CG C 36.366 0.300 1 433 46 46 GLU N N 128.491 0.300 1 434 47 47 VAL H H 8.872 0.030 1 435 47 47 VAL HA H 5.164 0.030 1 436 47 47 VAL HB H 1.840 0.030 1 437 47 47 VAL HG1 H 0.963 0.030 1 438 47 47 VAL HG2 H 0.963 0.030 1 439 47 47 VAL C C 174.015 0.300 1 440 47 47 VAL CA C 60.632 0.300 1 441 47 47 VAL CB C 34.170 0.300 1 442 47 47 VAL CG1 C 21.871 0.300 2 443 47 47 VAL CG2 C 21.115 0.300 2 444 47 47 VAL N N 127.660 0.300 1 445 48 48 ARG H H 9.024 0.030 1 446 48 48 ARG HA H 4.757 0.030 1 447 48 48 ARG HB2 H 1.649 0.030 2 448 48 48 ARG HB3 H 1.716 0.030 2 449 48 48 ARG HD2 H 3.131 0.030 2 450 48 48 ARG HD3 H 3.183 0.030 2 451 48 48 ARG HG2 H 1.517 0.030 2 452 48 48 ARG HG3 H 1.634 0.030 2 453 48 48 ARG C C 174.072 0.300 1 454 48 48 ARG CA C 54.697 0.300 1 455 48 48 ARG CB C 33.964 0.300 1 456 48 48 ARG CD C 43.645 0.300 1 457 48 48 ARG CG C 27.380 0.300 1 458 48 48 ARG N N 126.424 0.300 1 459 49 49 VAL H H 9.310 0.030 1 460 49 49 VAL HA H 4.411 0.030 1 461 49 49 VAL HB H 1.887 0.030 1 462 49 49 VAL HG1 H 0.625 0.030 1 463 49 49 VAL HG2 H 0.382 0.030 1 464 49 49 VAL C C 173.258 0.300 1 465 49 49 VAL CA C 62.311 0.300 1 466 49 49 VAL CB C 32.771 0.300 1 467 49 49 VAL CG1 C 21.818 0.300 2 468 49 49 VAL CG2 C 20.712 0.300 2 469 49 49 VAL N N 126.422 0.300 1 470 50 50 LEU H H 8.919 0.030 1 471 50 50 LEU HA H 5.054 0.030 1 472 50 50 LEU HB2 H 1.573 0.030 1 473 50 50 LEU HB3 H 1.573 0.030 1 474 50 50 LEU HD1 H 0.796 0.030 1 475 50 50 LEU HG H 1.542 0.030 1 476 50 50 LEU C C 176.503 0.300 1 477 50 50 LEU CA C 53.367 0.300 1 478 50 50 LEU CB C 44.821 0.300 1 479 50 50 LEU CD1 C 25.013 0.300 2 480 50 50 LEU CG C 27.255 0.300 1 481 50 50 LEU N N 128.294 0.300 1 482 52 52 PRO HA H 4.297 0.030 1 483 52 52 PRO HB2 H 2.333 0.030 2 484 52 52 PRO HB3 H 1.775 0.030 2 485 52 52 PRO HD2 H 2.895 0.030 2 486 52 52 PRO HD3 H 2.956 0.030 2 487 52 52 PRO HG2 H 1.999 0.030 2 488 52 52 PRO HG3 H 1.861 0.030 2 489 52 52 PRO CA C 63.617 0.300 1 490 52 52 PRO CB C 32.268 0.300 1 491 52 52 PRO CD C 49.878 0.300 1 492 52 52 PRO CG C 27.161 0.300 1 493 53 53 ARG H H 8.764 0.030 1 494 53 53 ARG HA H 4.035 0.030 1 495 53 53 ARG HB2 H 1.559 0.030 2 496 53 53 ARG HB3 H 2.012 0.030 2 497 53 53 ARG HD2 H 3.246 0.030 2 498 53 53 ARG HD3 H 3.199 0.030 2 499 53 53 ARG HG2 H 1.851 0.030 2 500 53 53 ARG C C 176.636 0.300 1 501 53 53 ARG CA C 56.189 0.300 1 502 53 53 ARG CB C 27.806 0.300 1 503 53 53 ARG CD C 43.396 0.300 1 504 53 53 ARG CG C 27.937 0.300 1 505 53 53 ARG N N 116.271 0.300 1 506 54 54 GLY H H 8.249 0.030 1 507 54 54 GLY HA2 H 3.522 0.030 2 508 54 54 GLY HA3 H 3.999 0.030 2 509 54 54 GLY C C 173.833 0.300 1 510 54 54 GLY CA C 45.905 0.300 1 511 54 54 GLY N N 106.392 0.300 1 512 55 55 LEU H H 6.865 0.030 1 513 55 55 LEU HA H 4.203 0.030 1 514 55 55 LEU HB2 H 1.552 0.030 2 515 55 55 LEU HB3 H 1.331 0.030 2 516 55 55 LEU HD1 H 0.880 0.030 1 517 55 55 LEU HD2 H 0.847 0.030 1 518 55 55 LEU HG H 1.414 0.030 1 519 55 55 LEU C C 176.009 0.300 1 520 55 55 LEU CA C 55.207 0.300 1 521 55 55 LEU CB C 42.836 0.300 1 522 55 55 LEU CD1 C 24.315 0.300 2 523 55 55 LEU CD2 C 25.148 0.300 2 524 55 55 LEU CG C 27.099 0.300 1 525 55 55 LEU N N 121.603 0.300 1 526 56 56 VAL H H 8.472 0.030 1 527 56 56 VAL HA H 4.559 0.030 1 528 56 56 VAL HB H 2.041 0.030 1 529 56 56 VAL HG1 H 0.965 0.030 1 530 56 56 VAL HG2 H 0.965 0.030 1 531 56 56 VAL C C 176.936 0.300 1 532 56 56 VAL CA C 62.189 0.300 1 533 56 56 VAL CB C 32.718 0.300 1 534 56 56 VAL CG1 C 21.209 0.300 1 535 56 56 VAL CG2 C 21.209 0.300 1 536 56 56 VAL N N 127.214 0.300 1 537 57 57 GLU H H 8.402 0.030 1 538 57 57 GLU HA H 5.318 0.030 1 539 57 57 GLU HB2 H 2.291 0.030 2 540 57 57 GLU HB3 H 1.645 0.030 2 541 57 57 GLU HG2 H 2.472 0.030 1 542 57 57 GLU HG3 H 2.472 0.030 1 543 57 57 GLU C C 174.364 0.300 1 544 57 57 GLU CA C 52.950 0.300 1 545 57 57 GLU CB C 29.854 0.300 1 546 57 57 GLU CG C 35.775 0.300 1 547 57 57 GLU N N 127.218 0.300 1 548 58 58 PRO HA H 4.585 0.030 1 549 58 58 PRO HB2 H 1.973 0.030 2 550 58 58 PRO HB3 H 2.374 0.030 2 551 58 58 PRO HD2 H 3.995 0.030 2 552 58 58 PRO HD3 H 4.046 0.030 2 553 58 58 PRO HG2 H 2.225 0.030 2 554 58 58 PRO HG3 H 2.108 0.030 2 555 58 58 PRO C C 176.287 0.300 1 556 58 58 PRO CA C 63.089 0.300 1 557 58 58 PRO CB C 32.223 0.300 1 558 58 58 PRO CD C 50.707 0.300 1 559 58 58 PRO CG C 27.752 0.300 1 560 59 59 VAL H H 8.314 0.030 1 561 59 59 VAL HA H 4.896 0.030 1 562 59 59 VAL HB H 1.949 0.030 1 563 59 59 VAL HG1 H 0.861 0.030 1 564 59 59 VAL C C 174.494 0.300 1 565 59 59 VAL CA C 59.778 0.300 1 566 59 59 VAL CB C 35.242 0.300 1 567 59 59 VAL CG1 C 21.610 0.300 2 568 59 59 VAL N N 118.618 0.300 1 569 60 60 ASN H H 8.744 0.030 1 570 60 60 ASN HA H 5.140 0.030 1 571 60 60 ASN HB2 H 2.641 0.030 2 572 60 60 ASN HB3 H 2.794 0.030 2 573 60 60 ASN HD21 H 6.826 0.030 2 574 60 60 ASN HD22 H 7.461 0.030 2 575 60 60 ASN C C 173.324 0.300 1 576 60 60 ASN CA C 52.545 0.300 1 577 60 60 ASN CB C 41.375 0.300 1 578 60 60 ASN N N 124.007 0.300 1 579 60 60 ASN ND2 N 113.482 0.300 1 580 61 61 VAL H H 8.678 0.030 1 581 61 61 VAL HA H 4.719 0.030 1 582 61 61 VAL HB H 2.052 0.030 1 583 61 61 VAL HG1 H 0.876 0.030 1 584 61 61 VAL HG2 H 0.915 0.030 1 585 61 61 VAL C C 175.371 0.300 1 586 61 61 VAL CA C 61.752 0.300 1 587 61 61 VAL CB C 33.866 0.300 1 588 61 61 VAL CG1 C 22.543 0.300 2 589 61 61 VAL CG2 C 21.362 0.300 2 590 61 61 VAL N N 124.733 0.300 1 591 62 62 VAL H H 9.018 0.030 1 592 62 62 VAL HA H 4.306 0.030 1 593 62 62 VAL HB H 1.938 0.030 1 594 62 62 VAL HG1 H 0.929 0.030 1 595 62 62 VAL HG2 H 0.853 0.030 1 596 62 62 VAL C C 174.430 0.300 1 597 62 62 VAL CA C 61.254 0.300 1 598 62 62 VAL CB C 35.206 0.300 1 599 62 62 VAL CG1 C 21.335 0.300 2 600 62 62 VAL CG2 C 20.809 0.300 2 601 62 62 VAL N N 129.078 0.300 1 602 63 63 ASP H H 8.607 0.030 1 603 63 63 ASP HA H 4.590 0.030 1 604 63 63 ASP HB2 H 2.919 0.030 2 605 63 63 ASP HB3 H 2.802 0.030 2 606 63 63 ASP C C 177.344 0.300 1 607 63 63 ASP CA C 53.315 0.300 1 608 63 63 ASP CB C 40.943 0.300 1 609 63 63 ASP N N 126.677 0.300 1 610 64 64 ASN H H 8.466 0.030 1 611 64 64 ASN HA H 4.594 0.030 1 612 64 64 ASN HB2 H 2.693 0.030 2 613 64 64 ASN HB3 H 2.864 0.030 2 614 64 64 ASN HD21 H 7.289 0.030 1 615 64 64 ASN HD22 H 7.289 0.030 1 616 64 64 ASN C C 176.922 0.300 1 617 64 64 ASN CA C 54.734 0.300 1 618 64 64 ASN CB C 38.573 0.300 1 619 64 64 ASN N N 124.743 0.300 1 620 64 64 ASN ND2 N 113.523 0.300 1 621 65 65 GLY H H 9.253 0.030 1 622 65 65 GLY HA2 H 3.772 0.030 2 623 65 65 GLY HA3 H 4.037 0.030 2 624 65 65 GLY C C 173.396 0.300 1 625 65 65 GLY CA C 46.090 0.300 1 626 65 65 GLY N N 109.338 0.300 1 627 66 66 ASP H H 7.828 0.030 1 628 66 66 ASP HA H 4.749 0.030 1 629 66 66 ASP HB2 H 2.399 0.030 2 630 66 66 ASP HB3 H 3.039 0.030 2 631 66 66 ASP C C 176.770 0.300 1 632 66 66 ASP CA C 51.990 0.300 1 633 66 66 ASP CB C 40.987 0.300 1 634 66 66 ASP N N 118.334 0.300 1 635 67 67 GLY H H 8.716 0.030 1 636 67 67 GLY HA2 H 3.573 0.030 2 637 67 67 GLY HA3 H 4.164 0.030 2 638 67 67 GLY C C 171.995 0.300 1 639 67 67 GLY CA C 45.155 0.300 1 640 67 67 GLY N N 110.017 0.300 1 641 68 68 THR H H 7.948 0.030 1 642 68 68 THR HA H 5.792 0.030 1 643 68 68 THR HB H 4.039 0.030 1 644 68 68 THR HG2 H 1.058 0.030 1 645 68 68 THR C C 173.681 0.300 1 646 68 68 THR CA C 59.586 0.300 1 647 68 68 THR CB C 73.286 0.300 1 648 68 68 THR CG2 C 20.868 0.300 1 649 68 68 THR N N 108.456 0.300 1 650 69 69 HIS H H 9.051 0.030 1 651 69 69 HIS HA H 5.535 0.030 1 652 69 69 HIS HB2 H 2.744 0.030 2 653 69 69 HIS HB3 H 2.540 0.030 2 654 69 69 HIS HD2 H 6.711 0.030 1 655 69 69 HIS HE1 H 7.665 0.030 1 656 69 69 HIS C C 175.923 0.300 1 657 69 69 HIS CA C 54.921 0.300 1 658 69 69 HIS CB C 34.333 0.300 1 659 69 69 HIS CD2 C 118.492 0.300 1 660 69 69 HIS CE1 C 138.259 0.300 1 661 69 69 HIS N N 119.372 0.300 1 662 70 70 THR H H 9.431 0.030 1 663 70 70 THR HA H 4.739 0.030 1 664 70 70 THR HB H 3.975 0.030 1 665 70 70 THR HG2 H 1.154 0.030 1 666 70 70 THR C C 173.242 0.300 1 667 70 70 THR CA C 62.787 0.300 1 668 70 70 THR CB C 70.226 0.300 1 669 70 70 THR CG2 C 22.416 0.300 1 670 70 70 THR N N 121.907 0.300 1 671 71 71 VAL H H 9.273 0.030 1 672 71 71 VAL HA H 4.840 0.030 1 673 71 71 VAL HB H 0.291 0.030 1 674 71 71 VAL HG1 H 0.524 0.030 1 675 71 71 VAL HG2 H 0.575 0.030 1 676 71 71 VAL C C 174.789 0.300 1 677 71 71 VAL CA C 60.493 0.300 1 678 71 71 VAL CB C 32.215 0.300 1 679 71 71 VAL CG1 C 22.681 0.300 2 680 71 71 VAL CG2 C 21.474 0.300 2 681 71 71 VAL N N 131.841 0.300 1 682 72 72 THR H H 8.998 0.030 1 683 72 72 THR HA H 5.789 0.030 1 684 72 72 THR HB H 4.136 0.030 1 685 72 72 THR HG2 H 1.152 0.030 1 686 72 72 THR C C 173.810 0.300 1 687 72 72 THR CA C 58.575 0.300 1 688 72 72 THR CB C 72.645 0.300 1 689 72 72 THR CG2 C 21.870 0.300 1 690 72 72 THR N N 115.227 0.300 1 691 73 73 TYR H H 8.547 0.030 1 692 73 73 TYR HA H 4.833 0.030 1 693 73 73 TYR HB2 H 2.847 0.030 2 694 73 73 TYR HB3 H 3.130 0.030 2 695 73 73 TYR HD1 H 6.561 0.030 1 696 73 73 TYR HD2 H 6.561 0.030 1 697 73 73 TYR HE1 H 6.246 0.030 1 698 73 73 TYR HE2 H 6.246 0.030 1 699 73 73 TYR C C 171.779 0.300 1 700 73 73 TYR CA C 56.704 0.300 1 701 73 73 TYR CB C 41.152 0.300 1 702 73 73 TYR CD1 C 132.618 0.300 1 703 73 73 TYR CD2 C 132.618 0.300 1 704 73 73 TYR CE1 C 116.693 0.300 1 705 73 73 TYR CE2 C 116.693 0.300 1 706 73 73 TYR N N 117.581 0.300 1 707 74 74 THR H H 9.347 0.030 1 708 74 74 THR HA H 4.770 0.030 1 709 74 74 THR HB H 3.852 0.030 1 710 74 74 THR HG2 H 0.735 0.030 1 711 74 74 THR C C 172.482 0.300 1 712 74 74 THR CA C 58.857 0.300 1 713 74 74 THR CB C 70.266 0.300 1 714 74 74 THR CG2 C 19.983 0.300 1 715 74 74 THR N N 118.799 0.300 1 716 75 75 PRO HA H 4.475 0.030 1 717 75 75 PRO HB2 H 1.867 0.030 2 718 75 75 PRO HB3 H 1.390 0.030 2 719 75 75 PRO HD2 H 3.321 0.030 2 720 75 75 PRO HD3 H 4.143 0.030 2 721 75 75 PRO HG2 H 1.537 0.030 2 722 75 75 PRO HG3 H 2.171 0.030 2 723 75 75 PRO C C 176.994 0.300 1 724 75 75 PRO CA C 62.371 0.300 1 725 75 75 PRO CB C 31.268 0.300 1 726 75 75 PRO CD C 50.212 0.300 1 727 75 75 PRO CG C 27.050 0.300 1 728 76 76 SER H H 9.440 0.030 1 729 76 76 SER HA H 4.184 0.030 1 730 76 76 SER HB2 H 4.043 0.030 2 731 76 76 SER HB3 H 4.142 0.030 2 732 76 76 SER C C 174.004 0.300 1 733 76 76 SER CA C 60.450 0.300 1 734 76 76 SER CB C 64.187 0.300 1 735 76 76 SER N N 122.404 0.300 1 736 77 77 GLN H H 8.016 0.030 1 737 77 77 GLN HA H 4.674 0.030 1 738 77 77 GLN HB2 H 2.282 0.030 2 739 77 77 GLN HB3 H 2.031 0.030 2 740 77 77 GLN HE21 H 7.422 0.030 2 741 77 77 GLN HE22 H 6.833 0.030 2 742 77 77 GLN HG2 H 2.362 0.030 2 743 77 77 GLN HG3 H 2.405 0.030 2 744 77 77 GLN C C 172.533 0.300 1 745 77 77 GLN CA C 54.001 0.300 1 746 77 77 GLN CB C 33.058 0.300 1 747 77 77 GLN CG C 33.315 0.300 1 748 77 77 GLN N N 118.775 0.300 1 749 77 77 GLN NE2 N 111.417 0.300 1 750 78 78 GLU H H 8.207 0.030 1 751 78 78 GLU HA H 4.143 0.030 1 752 78 78 GLU HB2 H 1.856 0.030 2 753 78 78 GLU HB3 H 2.004 0.030 2 754 78 78 GLU HG2 H 2.171 0.030 1 755 78 78 GLU HG3 H 2.171 0.030 1 756 78 78 GLU C C 175.855 0.300 1 757 78 78 GLU CA C 55.500 0.300 1 758 78 78 GLU CB C 31.072 0.300 1 759 78 78 GLU CG C 36.035 0.300 1 760 78 78 GLU N N 115.242 0.300 1 761 79 79 GLY H H 8.706 0.030 1 762 79 79 GLY HA2 H 3.886 0.030 2 763 79 79 GLY HA3 H 4.890 0.030 2 764 79 79 GLY C C 171.684 0.300 1 765 79 79 GLY CA C 44.120 0.300 1 766 79 79 GLY N N 108.056 0.300 1 767 80 80 PRO HA H 4.813 0.030 1 768 80 80 PRO HB2 H 1.996 0.030 2 769 80 80 PRO HB3 H 2.135 0.030 2 770 80 80 PRO HD2 H 3.668 0.030 1 771 80 80 PRO HD3 H 3.668 0.030 1 772 80 80 PRO HG2 H 2.289 0.030 2 773 80 80 PRO HG3 H 2.076 0.030 2 774 80 80 PRO C C 176.296 0.300 1 775 80 80 PRO CA C 63.460 0.300 1 776 80 80 PRO CB C 31.850 0.300 1 777 80 80 PRO CD C 49.703 0.300 1 778 80 80 PRO CG C 27.637 0.300 1 779 81 81 TYR H H 9.507 0.030 1 780 81 81 TYR HA H 5.068 0.030 1 781 81 81 TYR HB2 H 2.361 0.030 2 782 81 81 TYR HB3 H 3.203 0.030 2 783 81 81 TYR HD1 H 6.978 0.030 1 784 81 81 TYR HD2 H 6.978 0.030 1 785 81 81 TYR HE1 H 6.850 0.030 1 786 81 81 TYR HE2 H 6.850 0.030 1 787 81 81 TYR C C 176.539 0.300 1 788 81 81 TYR CA C 56.576 0.300 1 789 81 81 TYR CB C 42.820 0.300 1 790 81 81 TYR CD1 C 133.175 0.300 1 791 81 81 TYR CD2 C 133.175 0.300 1 792 81 81 TYR CE1 C 117.681 0.300 1 793 81 81 TYR CE2 C 117.681 0.300 1 794 81 81 TYR N N 127.196 0.300 1 795 82 82 MET H H 9.201 0.030 1 796 82 82 MET HA H 5.413 0.030 1 797 82 82 MET HB2 H 1.792 0.030 2 798 82 82 MET HB3 H 1.927 0.030 2 799 82 82 MET HE H 1.944 0.030 1 800 82 82 MET HG2 H 2.369 0.030 2 801 82 82 MET HG3 H 2.497 0.030 2 802 82 82 MET C C 174.961 0.300 1 803 82 82 MET CA C 53.824 0.300 1 804 82 82 MET CB C 36.067 0.300 1 805 82 82 MET CE C 16.917 0.300 1 806 82 82 MET CG C 32.111 0.300 1 807 82 82 MET N N 119.330 0.300 1 808 83 83 VAL H H 9.319 0.030 1 809 83 83 VAL HA H 4.820 0.030 1 810 83 83 VAL HB H 1.960 0.030 1 811 83 83 VAL HG1 H 0.640 0.030 1 812 83 83 VAL HG2 H 0.621 0.030 1 813 83 83 VAL C C 175.183 0.300 1 814 83 83 VAL CA C 61.029 0.300 1 815 83 83 VAL CB C 33.473 0.300 1 816 83 83 VAL CG1 C 20.819 0.300 2 817 83 83 VAL CG2 C 19.727 0.300 2 818 83 83 VAL N N 124.930 0.300 1 819 84 84 SER H H 9.272 0.030 1 820 84 84 SER HA H 5.030 0.030 1 821 84 84 SER HB2 H 3.607 0.030 2 822 84 84 SER HB3 H 3.752 0.030 2 823 84 84 SER C C 173.933 0.300 1 824 84 84 SER CA C 56.005 0.300 1 825 84 84 SER CB C 64.027 0.300 1 826 84 84 SER N N 122.757 0.300 1 827 85 85 VAL H H 9.023 0.030 1 828 85 85 VAL HA H 4.718 0.030 1 829 85 85 VAL HB H 2.044 0.030 1 830 85 85 VAL HG1 H 0.902 0.030 1 831 85 85 VAL HG2 H 1.044 0.030 1 832 85 85 VAL C C 173.216 0.300 1 833 85 85 VAL CA C 61.690 0.300 1 834 85 85 VAL CB C 33.937 0.300 1 835 85 85 VAL CG1 C 22.404 0.300 2 836 85 85 VAL CG2 C 21.115 0.300 2 837 85 85 VAL N N 128.196 0.300 1 838 86 86 LYS H H 9.042 0.030 1 839 86 86 LYS HA H 5.157 0.030 1 840 86 86 LYS HB2 H 1.299 0.030 2 841 86 86 LYS HB3 H 1.609 0.030 2 842 86 86 LYS HD2 H 1.332 0.030 2 843 86 86 LYS HD3 H 1.459 0.030 2 844 86 86 LYS HE2 H 2.676 0.030 1 845 86 86 LYS HE3 H 2.676 0.030 1 846 86 86 LYS HG2 H 0.779 0.030 2 847 86 86 LYS HG3 H 1.327 0.030 2 848 86 86 LYS C C 174.551 0.300 1 849 86 86 LYS CA C 54.205 0.300 1 850 86 86 LYS CB C 36.870 0.300 1 851 86 86 LYS CD C 29.733 0.300 1 852 86 86 LYS CE C 42.053 0.300 1 853 86 86 LYS CG C 25.322 0.300 1 854 86 86 LYS N N 125.027 0.300 1 855 87 87 TYR H H 9.116 0.030 1 856 87 87 TYR HA H 5.224 0.030 1 857 87 87 TYR HB2 H 2.496 0.030 2 858 87 87 TYR HB3 H 2.684 0.030 2 859 87 87 TYR HD1 H 6.645 0.030 1 860 87 87 TYR HD2 H 6.645 0.030 1 861 87 87 TYR HE1 H 6.639 0.030 1 862 87 87 TYR HE2 H 6.639 0.030 1 863 87 87 TYR C C 175.468 0.300 1 864 87 87 TYR CA C 56.995 0.300 1 865 87 87 TYR CB C 44.455 0.300 1 866 87 87 TYR CD1 C 131.448 0.300 1 867 87 87 TYR CD2 C 131.448 0.300 1 868 87 87 TYR CE1 C 119.213 0.300 1 869 87 87 TYR CE2 C 119.213 0.300 1 870 87 87 TYR N N 123.703 0.300 1 871 88 88 ALA H H 8.226 0.030 1 872 88 88 ALA HA H 3.645 0.030 1 873 88 88 ALA HB H 1.232 0.030 1 874 88 88 ALA C C 176.396 0.300 1 875 88 88 ALA CA C 53.561 0.300 1 876 88 88 ALA CB C 17.935 0.300 1 877 88 88 ALA N N 126.802 0.300 1 878 89 89 ASP H H 9.326 0.030 1 879 89 89 ASP HA H 4.047 0.030 1 880 89 89 ASP HB2 H 2.626 0.030 2 881 89 89 ASP HB3 H 2.965 0.030 2 882 89 89 ASP C C 174.608 0.300 1 883 89 89 ASP CA C 55.838 0.300 1 884 89 89 ASP CB C 40.880 0.300 1 885 89 89 ASP N N 111.419 0.300 1 886 90 90 GLU H H 7.629 0.030 1 887 90 90 GLU HA H 4.655 0.030 1 888 90 90 GLU HB2 H 1.878 0.030 2 889 90 90 GLU HB3 H 2.034 0.030 2 890 90 90 GLU HG2 H 2.203 0.030 2 891 90 90 GLU HG3 H 2.279 0.030 2 892 90 90 GLU C C 175.395 0.300 1 893 90 90 GLU CA C 54.642 0.300 1 894 90 90 GLU CB C 32.602 0.300 1 895 90 90 GLU CG C 35.952 0.300 1 896 90 90 GLU N N 119.415 0.300 1 897 91 91 GLU H H 8.709 0.030 1 898 91 91 GLU HA H 4.427 0.030 1 899 91 91 GLU HB2 H 1.813 0.030 2 900 91 91 GLU HB3 H 2.025 0.030 2 901 91 91 GLU HG2 H 2.294 0.030 1 902 91 91 GLU HG3 H 2.294 0.030 1 903 91 91 GLU C C 177.831 0.300 1 904 91 91 GLU CA C 57.433 0.300 1 905 91 91 GLU CB C 29.052 0.300 1 906 91 91 GLU CG C 35.705 0.300 1 907 91 91 GLU N N 124.045 0.300 1 908 92 92 ILE H H 8.252 0.030 1 909 92 92 ILE HA H 4.366 0.030 1 910 92 92 ILE HB H 2.202 0.030 1 911 92 92 ILE HD1 H 0.854 0.030 1 912 92 92 ILE HG12 H 1.462 0.030 2 913 92 92 ILE HG13 H 1.523 0.030 2 914 92 92 ILE HG2 H 0.994 0.030 1 915 92 92 ILE C C 173.028 0.300 1 916 92 92 ILE CA C 61.327 0.300 1 917 92 92 ILE CB C 35.851 0.300 1 918 92 92 ILE CD1 C 15.418 0.300 1 919 92 92 ILE CG1 C 24.894 0.300 1 920 92 92 ILE CG2 C 18.092 0.300 1 921 92 92 ILE N N 120.685 0.300 1 922 93 93 PRO HA H 4.251 0.030 1 923 93 93 PRO HB2 H 1.908 0.030 2 924 93 93 PRO HB3 H 2.373 0.030 2 925 93 93 PRO HD2 H 3.556 0.030 2 926 93 93 PRO HD3 H 4.069 0.030 2 927 93 93 PRO HG2 H 2.013 0.030 2 928 93 93 PRO HG3 H 2.353 0.030 2 929 93 93 PRO C C 176.684 0.300 1 930 93 93 PRO CA C 65.393 0.300 1 931 93 93 PRO CB C 31.109 0.300 1 932 93 93 PRO CD C 50.806 0.300 1 933 93 93 PRO CG C 28.562 0.300 1 934 94 94 ARG H H 8.236 0.030 1 935 94 94 ARG HA H 3.527 0.030 1 936 94 94 ARG HB2 H 2.442 0.030 2 937 94 94 ARG HB3 H 1.808 0.030 2 938 94 94 ARG HD2 H 3.297 0.030 1 939 94 94 ARG HD3 H 3.297 0.030 1 940 94 94 ARG HG2 H 1.573 0.030 1 941 94 94 ARG HG3 H 1.573 0.030 1 942 94 94 ARG C C 173.233 0.300 1 943 94 94 ARG CA C 58.848 0.300 1 944 94 94 ARG CB C 28.042 0.300 1 945 94 94 ARG CD C 43.770 0.300 1 946 94 94 ARG CG C 27.874 0.300 1 947 94 94 ARG N N 113.723 0.300 1 948 95 95 SER H H 7.441 0.030 1 949 95 95 SER HA H 3.874 0.030 1 950 95 95 SER HB2 H 3.587 0.030 2 951 95 95 SER HB3 H 4.316 0.030 2 952 95 95 SER C C 174.470 0.300 1 953 95 95 SER CA C 54.761 0.300 1 954 95 95 SER CB C 64.720 0.300 1 955 95 95 SER N N 112.371 0.300 1 956 96 96 PRO HA H 5.381 0.030 1 957 96 96 PRO HB2 H 1.672 0.030 2 958 96 96 PRO HB3 H 2.056 0.030 2 959 96 96 PRO HD2 H 3.420 0.030 1 960 96 96 PRO HD3 H 3.420 0.030 1 961 96 96 PRO HG2 H 1.792 0.030 2 962 96 96 PRO HG3 H 1.877 0.030 2 963 96 96 PRO C C 175.242 0.300 1 964 96 96 PRO CA C 62.054 0.300 1 965 96 96 PRO CB C 34.387 0.300 1 966 96 96 PRO CD C 50.511 0.300 1 967 96 96 PRO CG C 25.086 0.300 1 968 97 97 PHE H H 9.303 0.030 1 969 97 97 PHE HA H 4.433 0.030 1 970 97 97 PHE HB2 H 2.768 0.030 2 971 97 97 PHE HB3 H 3.085 0.030 2 972 97 97 PHE HD1 H 7.260 0.030 1 973 97 97 PHE HD2 H 7.260 0.030 1 974 97 97 PHE HE1 H 7.047 0.030 1 975 97 97 PHE HE2 H 7.047 0.030 1 976 97 97 PHE HZ H 7.103 0.030 1 977 97 97 PHE C C 175.606 0.300 1 978 97 97 PHE CA C 57.329 0.300 1 979 97 97 PHE CB C 40.191 0.300 1 980 97 97 PHE CD1 C 132.135 0.300 1 981 97 97 PHE CD2 C 132.135 0.300 1 982 97 97 PHE CE1 C 130.589 0.300 1 983 97 97 PHE CE2 C 130.589 0.300 1 984 97 97 PHE CZ C 129.819 0.300 1 985 97 97 PHE N N 122.540 0.300 1 986 98 98 LYS H H 8.789 0.030 1 987 98 98 LYS HA H 4.956 0.030 1 988 98 98 LYS HB2 H 1.745 0.030 2 989 98 98 LYS HB3 H 1.859 0.030 2 990 98 98 LYS HD2 H 1.685 0.030 1 991 98 98 LYS HD3 H 1.685 0.030 1 992 98 98 LYS HE2 H 2.943 0.030 1 993 98 98 LYS HE3 H 2.943 0.030 1 994 98 98 LYS HG2 H 1.354 0.030 2 995 98 98 LYS HG3 H 1.520 0.030 2 996 98 98 LYS C C 176.430 0.300 1 997 98 98 LYS CA C 56.282 0.300 1 998 98 98 LYS CB C 32.693 0.300 1 999 98 98 LYS CD C 29.276 0.300 1 1000 98 98 LYS CE C 42.052 0.300 1 1001 98 98 LYS CG C 25.246 0.300 1 1002 98 98 LYS N N 124.598 0.300 1 1003 99 99 VAL H H 8.791 0.030 1 1004 99 99 VAL HA H 4.193 0.030 1 1005 99 99 VAL HB H 1.770 0.030 1 1006 99 99 VAL HG1 H 0.822 0.030 1 1007 99 99 VAL HG2 H 0.822 0.030 1 1008 99 99 VAL C C 173.942 0.300 1 1009 99 99 VAL CA C 61.340 0.300 1 1010 99 99 VAL CB C 35.851 0.300 1 1011 99 99 VAL CG1 C 20.950 0.300 1 1012 99 99 VAL CG2 C 20.950 0.300 1 1013 99 99 VAL N N 127.369 0.300 1 1014 100 100 LYS H H 8.812 0.030 1 1015 100 100 LYS HA H 4.462 0.030 1 1016 100 100 LYS HB2 H 1.695 0.030 2 1017 100 100 LYS HB3 H 1.848 0.030 2 1018 100 100 LYS HD2 H 1.688 0.030 1 1019 100 100 LYS HD3 H 1.688 0.030 1 1020 100 100 LYS HE2 H 2.985 0.030 1 1021 100 100 LYS HE3 H 2.985 0.030 1 1022 100 100 LYS HG2 H 1.155 0.030 2 1023 100 100 LYS HG3 H 1.295 0.030 2 1024 100 100 LYS C C 174.646 0.300 1 1025 100 100 LYS CA C 55.606 0.300 1 1026 100 100 LYS CB C 32.043 0.300 1 1027 100 100 LYS CD C 29.276 0.300 1 1028 100 100 LYS CE C 42.038 0.300 1 1029 100 100 LYS CG C 25.080 0.300 1 1030 100 100 LYS N N 129.278 0.300 1 1031 101 101 VAL H H 8.758 0.030 1 1032 101 101 VAL HA H 3.917 0.030 1 1033 101 101 VAL HB H 2.587 0.030 1 1034 101 101 VAL HG1 H 0.787 0.030 1 1035 101 101 VAL HG2 H 0.529 0.030 1 1036 101 101 VAL C C 177.335 0.300 1 1037 101 101 VAL CA C 63.769 0.300 1 1038 101 101 VAL CB C 30.586 0.300 1 1039 101 101 VAL CG1 C 22.519 0.300 2 1040 101 101 VAL CG2 C 22.681 0.300 2 1041 101 101 VAL N N 129.549 0.300 1 1042 102 102 LEU H H 9.141 0.030 1 1043 102 102 LEU HA H 4.537 0.030 1 1044 102 102 LEU HB2 H 1.671 0.030 2 1045 102 102 LEU HB3 H 1.604 0.030 2 1046 102 102 LEU HD1 H 0.909 0.030 1 1047 102 102 LEU HD2 H 0.926 0.030 1 1048 102 102 LEU HG H 1.904 0.030 1 1049 102 102 LEU C C 173.393 0.300 1 1050 102 102 LEU CA C 53.763 0.300 1 1051 102 102 LEU CB C 41.663 0.300 1 1052 102 102 LEU CD1 C 25.083 0.300 2 1053 102 102 LEU CD2 C 22.284 0.300 2 1054 102 102 LEU CG C 27.142 0.300 1 1055 102 102 LEU N N 132.344 0.300 1 1056 103 103 PRO HA H 4.393 0.030 1 1057 103 103 PRO HB2 H 1.856 0.030 2 1058 103 103 PRO HB3 H 2.314 0.030 2 1059 103 103 PRO HD2 H 3.619 0.030 2 1060 103 103 PRO HD3 H 3.715 0.030 2 1061 103 103 PRO HG2 H 1.970 0.030 2 1062 103 103 PRO HG3 H 2.044 0.030 2 1063 103 103 PRO C C 175.675 0.300 1 1064 103 103 PRO CA C 62.562 0.300 1 1065 103 103 PRO CB C 32.197 0.300 1 1066 103 103 PRO CD C 50.130 0.300 1 1067 103 103 PRO CG C 27.627 0.300 1 1068 104 104 THR H H 8.233 0.030 1 1069 104 104 THR HA H 3.742 0.030 1 1070 104 104 THR HB H 3.623 0.030 1 1071 104 104 THR HG2 H 0.848 0.030 1 1072 104 104 THR C C 173.901 0.300 1 1073 104 104 THR CA C 65.527 0.300 1 1074 104 104 THR CB C 69.870 0.300 1 1075 104 104 THR CG2 C 21.610 0.300 1 1076 104 104 THR N N 115.514 0.300 1 1077 105 105 TYR H H 7.845 0.030 1 1078 105 105 TYR HA H 4.650 0.030 1 1079 105 105 TYR HB2 H 2.734 0.030 2 1080 105 105 TYR HB3 H 3.086 0.030 2 1081 105 105 TYR HD1 H 7.109 0.030 1 1082 105 105 TYR HD2 H 7.109 0.030 1 1083 105 105 TYR HE1 H 6.799 0.030 1 1084 105 105 TYR HE2 H 6.799 0.030 1 1085 105 105 TYR C C 175.271 0.300 1 1086 105 105 TYR CA C 56.503 0.300 1 1087 105 105 TYR CB C 39.760 0.300 1 1088 105 105 TYR CD1 C 133.337 0.300 1 1089 105 105 TYR CD2 C 133.337 0.300 1 1090 105 105 TYR CE1 C 118.104 0.300 1 1091 105 105 TYR CE2 C 118.104 0.300 1 1092 105 105 TYR N N 117.206 0.300 1 1093 106 106 ASP H H 8.451 0.030 1 1094 106 106 ASP HA H 4.578 0.030 1 1095 106 106 ASP HB2 H 2.563 0.030 2 1096 106 106 ASP HB3 H 2.721 0.030 2 1097 106 106 ASP C C 175.683 0.300 1 1098 106 106 ASP CA C 54.416 0.300 1 1099 106 106 ASP CB C 41.355 0.300 1 1100 106 106 ASP N N 122.061 0.300 1 1101 107 107 ALA H H 8.296 0.030 1 1102 107 107 ALA HA H 4.384 0.030 1 1103 107 107 ALA HB H 1.416 0.030 1 1104 107 107 ALA C C 176.804 0.300 1 1105 107 107 ALA CA C 52.434 0.300 1 1106 107 107 ALA CB C 19.401 0.300 1 1107 107 107 ALA N N 125.442 0.300 1 1108 108 108 SER H H 7.976 0.030 1 1109 108 108 SER HA H 4.238 0.030 1 1110 108 108 SER HB2 H 3.855 0.030 1 1111 108 108 SER HB3 H 3.855 0.030 1 1112 108 108 SER C C 178.740 0.300 1 1113 108 108 SER CA C 60.126 0.300 1 1114 108 108 SER CB C 64.866 0.300 1 1115 108 108 SER N N 121.142 0.300 1 stop_ save_