data_11186 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fifth PDZ domain of InaD-like protein ; _BMRB_accession_number 11186 _BMRB_flat_file_name bmr11186.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Hayashi F. . . 3 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" 445 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the fifth PDZ domain of InaD-like protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Inoue K. . . 2 Hayashi F. . . 3 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 'InaD-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ 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 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GSSGSSGELALWSPEVKIVE LVKDCKGLGFSILDYQDPLD PTRSVIVIRSLVADGVAERS GGLLPGDRLVSVNEYCLDNT SLAEAVEILKAVPPGLVHLG ICSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 LEU 10 ALA 11 LEU 12 TRP 13 SER 14 PRO 15 GLU 16 VAL 17 LYS 18 ILE 19 VAL 20 GLU 21 LEU 22 VAL 23 LYS 24 ASP 25 CYS 26 LYS 27 GLY 28 LEU 29 GLY 30 PHE 31 SER 32 ILE 33 LEU 34 ASP 35 TYR 36 GLN 37 ASP 38 PRO 39 LEU 40 ASP 41 PRO 42 THR 43 ARG 44 SER 45 VAL 46 ILE 47 VAL 48 ILE 49 ARG 50 SER 51 LEU 52 VAL 53 ALA 54 ASP 55 GLY 56 VAL 57 ALA 58 GLU 59 ARG 60 SER 61 GLY 62 GLY 63 LEU 64 LEU 65 PRO 66 GLY 67 ASP 68 ARG 69 LEU 70 VAL 71 SER 72 VAL 73 ASN 74 GLU 75 TYR 76 CYS 77 LEU 78 ASP 79 ASN 80 THR 81 SER 82 LEU 83 ALA 84 GLU 85 ALA 86 VAL 87 GLU 88 ILE 89 LEU 90 LYS 91 ALA 92 VAL 93 PRO 94 PRO 95 GLY 96 LEU 97 VAL 98 HIS 99 LEU 100 GLY 101 ILE 102 CYS 103 SER 104 GLY 105 PRO 106 SER 107 SER 108 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2D92 "Solution Structure Of The Fifth Pdz Domain Of Inad-Like Protein" 100.00 108 100.00 100.00 7.63e-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' 'E. coli' Escherichia coli . plasmid P050214-02 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.43mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.43 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_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.93191 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'PDZ 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 CA C 58.917 0.300 1 2 7 7 GLY H H 8.413 0.030 1 3 7 7 GLY HA2 H 3.944 0.030 1 4 7 7 GLY HA3 H 3.944 0.030 1 5 7 7 GLY C C 174.162 0.300 1 6 7 7 GLY CA C 45.323 0.300 1 7 7 7 GLY N N 110.731 0.300 1 8 8 8 GLU H H 8.290 0.030 1 9 8 8 GLU HA H 4.237 0.030 1 10 8 8 GLU HB2 H 1.895 0.030 2 11 8 8 GLU HB3 H 2.017 0.030 2 12 8 8 GLU HG2 H 2.236 0.030 1 13 8 8 GLU HG3 H 2.236 0.030 1 14 8 8 GLU C C 176.442 0.300 1 15 8 8 GLU CA C 56.545 0.300 1 16 8 8 GLU CB C 30.157 0.300 1 17 8 8 GLU CG C 36.169 0.300 1 18 8 8 GLU N N 120.610 0.300 1 19 9 9 LEU H H 8.231 0.030 1 20 9 9 LEU HA H 4.282 0.030 1 21 9 9 LEU HB2 H 1.501 0.030 2 22 9 9 LEU HB3 H 1.579 0.030 2 23 9 9 LEU HD1 H 0.867 0.030 1 24 9 9 LEU HD2 H 0.810 0.030 1 25 9 9 LEU HG H 1.575 0.030 1 26 9 9 LEU C C 176.798 0.300 1 27 9 9 LEU CA C 54.932 0.300 1 28 9 9 LEU CB C 42.289 0.300 1 29 9 9 LEU CD1 C 25.017 0.300 2 30 9 9 LEU CD2 C 23.522 0.300 2 31 9 9 LEU CG C 26.921 0.300 1 32 9 9 LEU N N 122.653 0.300 1 33 10 10 ALA H H 8.097 0.030 1 34 10 10 ALA HA H 4.177 0.030 1 35 10 10 ALA HB H 1.234 0.030 1 36 10 10 ALA C C 176.925 0.300 1 37 10 10 ALA CA C 52.016 0.300 1 38 10 10 ALA CB C 19.013 0.300 1 39 10 10 ALA N N 124.762 0.300 1 40 11 11 LEU H H 7.716 0.030 1 41 11 11 LEU HA H 3.951 0.030 1 42 11 11 LEU HB2 H 0.869 0.030 2 43 11 11 LEU HB3 H 0.915 0.030 2 44 11 11 LEU HD1 H 0.692 0.030 1 45 11 11 LEU HD2 H 0.616 0.030 1 46 11 11 LEU HG H 1.273 0.030 1 47 11 11 LEU C C 176.346 0.300 1 48 11 11 LEU CA C 55.181 0.300 1 49 11 11 LEU CB C 41.874 0.300 1 50 11 11 LEU CD1 C 24.910 0.300 2 51 11 11 LEU CD2 C 23.252 0.300 2 52 11 11 LEU CG C 26.702 0.300 1 53 11 11 LEU N N 120.483 0.300 1 54 12 12 TRP H H 7.463 0.030 1 55 12 12 TRP HA H 4.754 0.030 1 56 12 12 TRP HB2 H 3.053 0.030 1 57 12 12 TRP HB3 H 3.053 0.030 1 58 12 12 TRP HD1 H 7.121 0.030 1 59 12 12 TRP HE1 H 10.261 0.030 1 60 12 12 TRP HE3 H 7.621 0.030 1 61 12 12 TRP HH2 H 6.801 0.030 1 62 12 12 TRP HZ2 H 7.113 0.030 1 63 12 12 TRP HZ3 H 7.020 0.030 1 64 12 12 TRP C C 176.204 0.300 1 65 12 12 TRP CA C 57.943 0.300 1 66 12 12 TRP CB C 30.571 0.300 1 67 12 12 TRP CD1 C 126.841 0.300 1 68 12 12 TRP CE3 C 120.577 0.300 1 69 12 12 TRP CH2 C 124.081 0.300 1 70 12 12 TRP CZ2 C 114.419 0.300 1 71 12 12 TRP CZ3 C 121.650 0.300 1 72 12 12 TRP N N 117.640 0.300 1 73 12 12 TRP NE1 N 129.552 0.300 1 74 13 13 SER H H 8.507 0.030 1 75 13 13 SER HA H 4.646 0.030 1 76 13 13 SER HB2 H 3.982 0.030 2 77 13 13 SER HB3 H 4.073 0.030 2 78 13 13 SER C C 173.567 0.300 1 79 13 13 SER CA C 56.052 0.300 1 80 13 13 SER CB C 64.078 0.300 1 81 13 13 SER N N 118.539 0.300 1 82 14 14 PRO HA H 4.461 0.030 1 83 14 14 PRO HB2 H 1.985 0.030 2 84 14 14 PRO HB3 H 2.256 0.030 2 85 14 14 PRO HD2 H 3.700 0.030 2 86 14 14 PRO HD3 H 3.851 0.030 2 87 14 14 PRO HG2 H 1.975 0.030 2 88 14 14 PRO HG3 H 2.024 0.030 2 89 14 14 PRO C C 177.112 0.300 1 90 14 14 PRO CA C 63.420 0.300 1 91 14 14 PRO CB C 31.970 0.300 1 92 14 14 PRO CD C 50.494 0.300 1 93 14 14 PRO CG C 26.946 0.300 1 94 15 15 GLU H H 8.013 0.030 1 95 15 15 GLU HA H 4.183 0.030 1 96 15 15 GLU HB2 H 1.913 0.030 1 97 15 15 GLU HB3 H 1.913 0.030 1 98 15 15 GLU HG2 H 2.122 0.030 2 99 15 15 GLU HG3 H 2.203 0.030 2 100 15 15 GLU C C 174.983 0.300 1 101 15 15 GLU CA C 56.271 0.300 1 102 15 15 GLU CB C 29.935 0.300 1 103 15 15 GLU CG C 36.075 0.300 1 104 15 15 GLU N N 120.311 0.300 1 105 16 16 VAL H H 8.360 0.030 1 106 16 16 VAL HA H 4.246 0.030 1 107 16 16 VAL HB H 1.865 0.030 1 108 16 16 VAL HG1 H 0.846 0.030 1 109 16 16 VAL HG2 H 0.693 0.030 1 110 16 16 VAL C C 176.299 0.300 1 111 16 16 VAL CA C 61.931 0.300 1 112 16 16 VAL CB C 32.440 0.300 1 113 16 16 VAL CG1 C 21.643 0.300 2 114 16 16 VAL CG2 C 20.894 0.300 2 115 16 16 VAL N N 126.461 0.300 1 116 17 17 LYS H H 9.292 0.030 1 117 17 17 LYS HA H 4.587 0.030 1 118 17 17 LYS HB2 H 1.741 0.030 1 119 17 17 LYS HB3 H 1.741 0.030 1 120 17 17 LYS HD2 H 1.639 0.030 1 121 17 17 LYS HD3 H 1.639 0.030 1 122 17 17 LYS HE2 H 2.888 0.030 1 123 17 17 LYS HE3 H 2.888 0.030 1 124 17 17 LYS HG2 H 1.375 0.030 1 125 17 17 LYS HG3 H 1.375 0.030 1 126 17 17 LYS C C 174.665 0.300 1 127 17 17 LYS CA C 54.542 0.300 1 128 17 17 LYS CB C 34.241 0.300 1 129 17 17 LYS CD C 29.200 0.300 1 130 17 17 LYS CE C 42.031 0.300 1 131 17 17 LYS CG C 24.755 0.300 1 132 17 17 LYS N N 130.107 0.300 1 133 18 18 ILE H H 8.525 0.030 1 134 18 18 ILE HA H 4.993 0.030 1 135 18 18 ILE HB H 1.896 0.030 1 136 18 18 ILE HD1 H 0.592 0.030 1 137 18 18 ILE HG12 H 1.345 0.030 1 138 18 18 ILE HG13 H 1.345 0.030 1 139 18 18 ILE HG2 H 0.703 0.030 1 140 18 18 ILE C C 176.853 0.300 1 141 18 18 ILE CA C 58.281 0.300 1 142 18 18 ILE CB C 36.353 0.300 1 143 18 18 ILE CD1 C 9.820 0.300 1 144 18 18 ILE CG1 C 26.433 0.300 1 145 18 18 ILE CG2 C 17.549 0.300 1 146 18 18 ILE N N 122.608 0.300 1 147 19 19 VAL H H 9.559 0.030 1 148 19 19 VAL HA H 4.198 0.030 1 149 19 19 VAL HB H 1.817 0.030 1 150 19 19 VAL HG1 H 0.822 0.030 1 151 19 19 VAL HG2 H 0.845 0.030 1 152 19 19 VAL C C 174.364 0.300 1 153 19 19 VAL CA C 61.302 0.300 1 154 19 19 VAL CB C 34.279 0.300 1 155 19 19 VAL CG1 C 20.591 0.300 2 156 19 19 VAL CG2 C 21.265 0.300 2 157 19 19 VAL N N 131.306 0.300 1 158 20 20 GLU H H 8.663 0.030 1 159 20 20 GLU HA H 5.102 0.030 1 160 20 20 GLU HB2 H 1.901 0.030 1 161 20 20 GLU HB3 H 1.901 0.030 1 162 20 20 GLU HG2 H 1.856 0.030 2 163 20 20 GLU HG3 H 2.023 0.030 2 164 20 20 GLU C C 175.363 0.300 1 165 20 20 GLU CA C 54.727 0.300 1 166 20 20 GLU CB C 31.523 0.300 1 167 20 20 GLU CG C 37.120 0.300 1 168 20 20 GLU N N 127.581 0.300 1 169 21 21 LEU H H 8.776 0.030 1 170 21 21 LEU HA H 4.787 0.030 1 171 21 21 LEU HB2 H 1.315 0.030 2 172 21 21 LEU HB3 H 1.450 0.030 2 173 21 21 LEU HD1 H 0.902 0.030 1 174 21 21 LEU HD2 H 0.951 0.030 1 175 21 21 LEU HG H 1.525 0.030 1 176 21 21 LEU C C 174.597 0.300 1 177 21 21 LEU CA C 52.736 0.300 1 178 21 21 LEU CB C 46.233 0.300 1 179 21 21 LEU CD1 C 27.019 0.300 2 180 21 21 LEU CD2 C 23.986 0.300 2 181 21 21 LEU CG C 26.947 0.300 1 182 21 21 LEU N N 123.967 0.300 1 183 22 22 VAL H H 7.928 0.030 1 184 22 22 VAL HA H 4.244 0.030 1 185 22 22 VAL HB H 1.867 0.030 1 186 22 22 VAL HG1 H 0.694 0.030 1 187 22 22 VAL HG2 H 0.831 0.030 1 188 22 22 VAL C C 175.292 0.300 1 189 22 22 VAL CA C 61.779 0.300 1 190 22 22 VAL CB C 32.165 0.300 1 191 22 22 VAL CG1 C 21.311 0.300 2 192 22 22 VAL CG2 C 21.270 0.300 2 193 22 22 VAL N N 120.522 0.300 1 194 23 23 LYS H H 9.017 0.030 1 195 23 23 LYS HA H 4.227 0.030 1 196 23 23 LYS HB2 H 1.527 0.030 2 197 23 23 LYS HB3 H 2.001 0.030 2 198 23 23 LYS HD2 H 1.374 0.030 2 199 23 23 LYS HD3 H 1.454 0.030 2 200 23 23 LYS HE2 H 2.876 0.030 1 201 23 23 LYS HE3 H 2.876 0.030 1 202 23 23 LYS HG2 H 1.095 0.030 2 203 23 23 LYS HG3 H 1.291 0.030 2 204 23 23 LYS C C 175.577 0.300 1 205 23 23 LYS CA C 56.149 0.300 1 206 23 23 LYS CB C 34.156 0.300 1 207 23 23 LYS CD C 29.536 0.300 1 208 23 23 LYS CE C 42.970 0.300 1 209 23 23 LYS CG C 26.695 0.300 1 210 23 23 LYS N N 128.141 0.300 1 211 24 24 ASP H H 8.351 0.030 1 212 24 24 ASP HA H 4.799 0.030 1 213 24 24 ASP HB2 H 2.697 0.030 2 214 24 24 ASP HB3 H 3.118 0.030 2 215 24 24 ASP C C 177.246 0.300 1 216 24 24 ASP CA C 52.636 0.300 1 217 24 24 ASP CB C 42.103 0.300 1 218 24 24 ASP N N 131.209 0.300 1 219 25 25 CYS H H 8.017 0.030 1 220 25 25 CYS HA H 4.400 0.030 1 221 25 25 CYS HB2 H 3.023 0.030 2 222 25 25 CYS HB3 H 3.079 0.030 2 223 25 25 CYS C C 175.668 0.300 1 224 25 25 CYS CA C 60.218 0.300 1 225 25 25 CYS CB C 27.337 0.300 1 226 26 26 LYS H H 8.478 0.030 1 227 26 26 LYS HA H 4.365 0.030 1 228 26 26 LYS HB2 H 1.990 0.030 1 229 26 26 LYS HB3 H 1.990 0.030 1 230 26 26 LYS HD2 H 1.706 0.030 1 231 26 26 LYS HD3 H 1.706 0.030 1 232 26 26 LYS HE2 H 2.999 0.030 1 233 26 26 LYS HE3 H 2.999 0.030 1 234 26 26 LYS HG2 H 1.458 0.030 2 235 26 26 LYS HG3 H 1.578 0.030 2 236 26 26 LYS C C 177.543 0.300 1 237 26 26 LYS CA C 56.733 0.300 1 238 26 26 LYS CB C 32.142 0.300 1 239 26 26 LYS CD C 28.791 0.300 1 240 26 26 LYS CE C 41.916 0.300 1 241 26 26 LYS CG C 25.207 0.300 1 242 26 26 LYS N N 121.594 0.300 1 243 27 27 GLY H H 8.023 0.030 1 244 27 27 GLY HA2 H 3.623 0.030 2 245 27 27 GLY HA3 H 4.467 0.030 2 246 27 27 GLY C C 174.217 0.300 1 247 27 27 GLY CA C 44.779 0.300 1 248 27 27 GLY N N 106.581 0.300 1 249 28 28 LEU H H 8.910 0.030 1 250 28 28 LEU HA H 4.247 0.030 1 251 28 28 LEU HB2 H 1.584 0.030 2 252 28 28 LEU HB3 H 1.493 0.030 2 253 28 28 LEU HD1 H 0.833 0.030 1 254 28 28 LEU HD2 H 0.943 0.030 1 255 28 28 LEU HG H 1.567 0.030 1 256 28 28 LEU CA C 55.645 0.300 1 257 28 28 LEU CB C 43.626 0.300 1 258 28 28 LEU CD1 C 23.601 0.300 2 259 28 28 LEU CD2 C 26.479 0.300 2 260 28 28 LEU CG C 27.326 0.300 1 261 29 29 GLY H H 8.584 0.030 1 262 29 29 GLY HA2 H 3.879 0.030 2 263 29 29 GLY HA3 H 4.123 0.030 2 264 29 29 GLY C C 176.255 0.300 1 265 29 29 GLY CA C 47.253 0.300 1 266 29 29 GLY N N 104.589 0.300 1 267 30 30 PHE H H 7.462 0.030 1 268 30 30 PHE HA H 5.418 0.030 1 269 30 30 PHE HB2 H 3.001 0.030 2 270 30 30 PHE HB3 H 3.322 0.030 2 271 30 30 PHE HD1 H 6.858 0.030 1 272 30 30 PHE HD2 H 6.858 0.030 1 273 30 30 PHE HE1 H 6.894 0.030 1 274 30 30 PHE HE2 H 6.894 0.030 1 275 30 30 PHE HZ H 6.879 0.030 1 276 30 30 PHE C C 172.065 0.300 1 277 30 30 PHE CA C 56.738 0.300 1 278 30 30 PHE CB C 41.221 0.300 1 279 30 30 PHE CD1 C 132.308 0.300 1 280 30 30 PHE CD2 C 132.308 0.300 1 281 30 30 PHE CE1 C 130.522 0.300 1 282 30 30 PHE CE2 C 130.522 0.300 1 283 30 30 PHE CZ C 128.278 0.300 1 284 30 30 PHE N N 115.549 0.300 1 285 31 31 SER H H 8.682 0.030 1 286 31 31 SER HA H 4.996 0.030 1 287 31 31 SER HB2 H 3.862 0.030 2 288 31 31 SER HB3 H 3.966 0.030 2 289 31 31 SER C C 174.784 0.300 1 290 31 31 SER CA C 55.766 0.300 1 291 31 31 SER CB C 66.391 0.300 1 292 31 31 SER N N 115.093 0.300 1 293 32 32 ILE H H 8.574 0.030 1 294 32 32 ILE HA H 5.512 0.030 1 295 32 32 ILE HB H 1.889 0.030 1 296 32 32 ILE HD1 H 0.700 0.030 1 297 32 32 ILE HG12 H 0.982 0.030 2 298 32 32 ILE HG13 H 1.362 0.030 2 299 32 32 ILE HG2 H 0.916 0.030 1 300 32 32 ILE C C 173.888 0.300 1 301 32 32 ILE CA C 59.898 0.300 1 302 32 32 ILE CB C 43.110 0.300 1 303 32 32 ILE CD1 C 15.445 0.300 1 304 32 32 ILE CG1 C 24.748 0.300 1 305 32 32 ILE CG2 C 19.688 0.300 1 306 32 32 ILE N N 114.731 0.300 1 307 33 33 LEU H H 9.101 0.030 1 308 33 33 LEU HA H 4.595 0.030 1 309 33 33 LEU HB2 H 1.531 0.030 2 310 33 33 LEU HB3 H 1.624 0.030 2 311 33 33 LEU HD1 H 0.916 0.030 1 312 33 33 LEU HD2 H 1.001 0.030 1 313 33 33 LEU HG H 1.850 0.030 1 314 33 33 LEU C C 173.214 0.300 1 315 33 33 LEU CA C 54.451 0.300 1 316 33 33 LEU CB C 46.802 0.300 1 317 33 33 LEU CD1 C 25.617 0.300 2 318 33 33 LEU CD2 C 24.414 0.300 2 319 33 33 LEU CG C 26.674 0.300 1 320 33 33 LEU N N 120.938 0.300 1 321 34 34 ASP H H 8.950 0.030 1 322 34 34 ASP HA H 5.496 0.030 1 323 34 34 ASP HB2 H 2.485 0.030 2 324 34 34 ASP HB3 H 2.602 0.030 2 325 34 34 ASP C C 174.570 0.300 1 326 34 34 ASP CA C 52.142 0.300 1 327 34 34 ASP CB C 41.885 0.300 1 328 34 34 ASP N N 118.672 0.300 1 329 35 35 TYR H H 8.821 0.030 1 330 35 35 TYR HA H 4.682 0.030 1 331 35 35 TYR HB2 H 2.738 0.030 2 332 35 35 TYR HB3 H 2.905 0.030 2 333 35 35 TYR HD1 H 7.119 0.030 1 334 35 35 TYR HD2 H 7.119 0.030 1 335 35 35 TYR HE1 H 6.792 0.030 1 336 35 35 TYR HE2 H 6.792 0.030 1 337 35 35 TYR C C 174.387 0.300 1 338 35 35 TYR CA C 56.975 0.300 1 339 35 35 TYR CB C 41.986 0.300 1 340 35 35 TYR CD1 C 132.922 0.300 1 341 35 35 TYR CD2 C 132.922 0.300 1 342 35 35 TYR CE1 C 117.871 0.300 1 343 35 35 TYR CE2 C 117.871 0.300 1 344 35 35 TYR N N 121.393 0.300 1 345 36 36 GLN H H 8.175 0.030 1 346 36 36 GLN HA H 4.400 0.030 1 347 36 36 GLN HB2 H 1.846 0.030 2 348 36 36 GLN HB3 H 1.889 0.030 2 349 36 36 GLN HE21 H 6.837 0.030 2 350 36 36 GLN HE22 H 7.739 0.030 2 351 36 36 GLN HG2 H 2.292 0.030 1 352 36 36 GLN HG3 H 2.292 0.030 1 353 36 36 GLN C C 174.808 0.300 1 354 36 36 GLN CA C 55.435 0.300 1 355 36 36 GLN CB C 29.978 0.300 1 356 36 36 GLN CG C 34.239 0.300 1 357 36 36 GLN N N 125.282 0.300 1 358 36 36 GLN NE2 N 113.591 0.300 1 359 37 37 ASP H H 8.412 0.030 1 360 37 37 ASP HA H 4.527 0.030 1 361 37 37 ASP HB2 H 2.280 0.030 2 362 37 37 ASP HB3 H 3.533 0.030 2 363 37 37 ASP C C 176.199 0.300 1 364 37 37 ASP CA C 52.141 0.300 1 365 37 37 ASP CB C 42.494 0.300 1 366 37 37 ASP N N 127.305 0.300 1 367 38 38 PRO HA H 4.312 0.030 1 368 38 38 PRO HB2 H 1.912 0.030 2 369 38 38 PRO HB3 H 2.357 0.030 2 370 38 38 PRO HD2 H 4.007 0.030 2 371 38 38 PRO HD3 H 4.121 0.030 2 372 38 38 PRO HG2 H 2.025 0.030 2 373 38 38 PRO HG3 H 2.070 0.030 2 374 38 38 PRO C C 177.762 0.300 1 375 38 38 PRO CA C 64.210 0.300 1 376 38 38 PRO CB C 32.326 0.300 1 377 38 38 PRO CD C 50.914 0.300 1 378 38 38 PRO CG C 27.404 0.300 1 379 39 39 LEU H H 8.601 0.030 1 380 39 39 LEU HA H 4.359 0.030 1 381 39 39 LEU HB2 H 1.555 0.030 2 382 39 39 LEU HB3 H 1.784 0.030 2 383 39 39 LEU HD1 H 0.939 0.030 1 384 39 39 LEU HD2 H 0.837 0.030 1 385 39 39 LEU HG H 1.605 0.030 1 386 39 39 LEU C C 177.781 0.300 1 387 39 39 LEU CA C 54.828 0.300 1 388 39 39 LEU CB C 42.101 0.300 1 389 39 39 LEU CD1 C 25.129 0.300 2 390 39 39 LEU CD2 C 22.618 0.300 2 391 39 39 LEU CG C 27.260 0.300 1 392 39 39 LEU N N 116.822 0.300 1 393 40 40 ASP H H 7.511 0.030 1 394 40 40 ASP HA H 4.866 0.030 1 395 40 40 ASP HB2 H 2.514 0.030 2 396 40 40 ASP HB3 H 2.735 0.030 2 397 40 40 ASP C C 173.313 0.300 1 398 40 40 ASP CA C 51.190 0.300 1 399 40 40 ASP CB C 41.102 0.300 1 400 40 40 ASP N N 116.762 0.300 1 401 41 41 PRO HA H 4.540 0.030 1 402 41 41 PRO HB2 H 2.007 0.030 2 403 41 41 PRO HB3 H 2.314 0.030 2 404 41 41 PRO HD2 H 3.589 0.030 2 405 41 41 PRO HD3 H 3.875 0.030 2 406 41 41 PRO HG2 H 1.949 0.030 2 407 41 41 PRO HG3 H 2.015 0.030 2 408 41 41 PRO C C 177.460 0.300 1 409 41 41 PRO CA C 64.086 0.300 1 410 41 41 PRO CB C 32.220 0.300 1 411 41 41 PRO CD C 50.574 0.300 1 412 41 41 PRO CG C 26.797 0.300 1 413 42 42 THR H H 8.105 0.030 1 414 42 42 THR HA H 4.324 0.030 1 415 42 42 THR HB H 4.351 0.030 1 416 42 42 THR HG2 H 1.223 0.030 1 417 42 42 THR C C 174.419 0.300 1 418 42 42 THR CA C 62.681 0.300 1 419 42 42 THR CB C 69.254 0.300 1 420 42 42 THR CG2 C 21.574 0.300 1 421 42 42 THR N N 109.342 0.300 1 422 43 43 ARG H H 8.111 0.030 1 423 43 43 ARG HA H 4.853 0.030 1 424 43 43 ARG HB2 H 1.837 0.030 2 425 43 43 ARG HB3 H 1.987 0.030 2 426 43 43 ARG HD2 H 3.200 0.030 1 427 43 43 ARG HD3 H 3.200 0.030 1 428 43 43 ARG HE H 7.350 0.030 1 429 43 43 ARG HG2 H 1.521 0.030 2 430 43 43 ARG HG3 H 1.607 0.030 2 431 43 43 ARG C C 174.990 0.300 1 432 43 43 ARG CA C 54.783 0.300 1 433 43 43 ARG CB C 32.910 0.300 1 434 43 43 ARG CD C 43.591 0.300 1 435 43 43 ARG CG C 27.523 0.300 1 436 43 43 ARG N N 123.480 0.300 1 437 43 43 ARG NE N 85.206 0.300 1 438 44 44 SER H H 8.531 0.030 1 439 44 44 SER HA H 5.266 0.030 1 440 44 44 SER HB2 H 3.763 0.030 1 441 44 44 SER HB3 H 3.763 0.030 1 442 44 44 SER C C 173.730 0.300 1 443 44 44 SER CA C 57.195 0.300 1 444 44 44 SER CB C 65.951 0.300 1 445 44 44 SER N N 117.087 0.300 1 446 45 45 VAL H H 9.073 0.030 1 447 45 45 VAL HA H 4.566 0.030 1 448 45 45 VAL HB H 1.972 0.030 1 449 45 45 VAL HG1 H 0.669 0.030 1 450 45 45 VAL HG2 H 0.685 0.030 1 451 45 45 VAL C C 173.682 0.300 1 452 45 45 VAL CA C 59.658 0.300 1 453 45 45 VAL CB C 34.819 0.300 1 454 45 45 VAL CG1 C 21.433 0.300 2 455 45 45 VAL CG2 C 19.301 0.300 2 456 45 45 VAL N N 117.944 0.300 1 457 46 46 ILE H H 8.525 0.030 1 458 46 46 ILE HA H 4.722 0.030 1 459 46 46 ILE HB H 2.232 0.030 1 460 46 46 ILE HD1 H 0.625 0.030 1 461 46 46 ILE HG12 H 1.198 0.030 2 462 46 46 ILE HG13 H 1.669 0.030 2 463 46 46 ILE HG2 H 0.839 0.030 1 464 46 46 ILE C C 175.046 0.300 1 465 46 46 ILE CA C 58.007 0.300 1 466 46 46 ILE CB C 36.034 0.300 1 467 46 46 ILE CD1 C 9.041 0.300 1 468 46 46 ILE CG1 C 27.067 0.300 1 469 46 46 ILE CG2 C 20.131 0.300 1 470 46 46 ILE N N 122.738 0.300 1 471 47 47 VAL H H 9.002 0.030 1 472 47 47 VAL HA H 5.085 0.030 1 473 47 47 VAL HB H 1.803 0.030 1 474 47 47 VAL HG1 H 0.785 0.030 1 475 47 47 VAL HG2 H 0.688 0.030 1 476 47 47 VAL C C 175.680 0.300 1 477 47 47 VAL CA C 58.450 0.300 1 478 47 47 VAL CB C 35.987 0.300 1 479 47 47 VAL CG1 C 21.322 0.300 2 480 47 47 VAL CG2 C 20.784 0.300 2 481 47 47 VAL N N 122.446 0.300 1 482 48 48 ILE H H 8.806 0.030 1 483 48 48 ILE HA H 4.101 0.030 1 484 48 48 ILE HB H 2.209 0.030 1 485 48 48 ILE HD1 H 0.246 0.030 1 486 48 48 ILE HG12 H 1.068 0.030 2 487 48 48 ILE HG13 H 1.310 0.030 2 488 48 48 ILE HG2 H 0.574 0.030 1 489 48 48 ILE C C 176.069 0.300 1 490 48 48 ILE CA C 60.190 0.300 1 491 48 48 ILE CB C 35.396 0.300 1 492 48 48 ILE CD1 C 11.139 0.300 1 493 48 48 ILE CG1 C 26.753 0.300 1 494 48 48 ILE CG2 C 17.162 0.300 1 495 48 48 ILE N N 121.037 0.300 1 496 49 49 ARG H H 9.532 0.030 1 497 49 49 ARG HA H 4.352 0.030 1 498 49 49 ARG HB2 H 1.457 0.030 2 499 49 49 ARG HB3 H 1.808 0.030 2 500 49 49 ARG HD2 H 3.114 0.030 2 501 49 49 ARG HD3 H 3.152 0.030 2 502 49 49 ARG HG2 H 1.524 0.030 2 503 49 49 ARG HG3 H 1.637 0.030 2 504 49 49 ARG C C 174.847 0.300 1 505 49 49 ARG CA C 57.152 0.300 1 506 49 49 ARG CB C 31.520 0.300 1 507 49 49 ARG CD C 43.458 0.300 1 508 49 49 ARG CG C 26.812 0.300 1 509 49 49 ARG N N 132.533 0.300 1 510 50 50 SER H H 7.384 0.030 1 511 50 50 SER HA H 4.574 0.030 1 512 50 50 SER HB2 H 3.782 0.030 1 513 50 50 SER HB3 H 3.782 0.030 1 514 50 50 SER C C 171.597 0.300 1 515 50 50 SER CA C 56.835 0.300 1 516 50 50 SER CB C 64.987 0.300 1 517 50 50 SER N N 109.175 0.300 1 518 51 51 LEU H H 8.906 0.030 1 519 51 51 LEU HA H 5.010 0.030 1 520 51 51 LEU HB2 H 1.404 0.030 2 521 51 51 LEU HB3 H 1.836 0.030 2 522 51 51 LEU HD1 H 0.996 0.030 1 523 51 51 LEU HD2 H 0.731 0.030 1 524 51 51 LEU HG H 1.557 0.030 1 525 51 51 LEU C C 176.806 0.300 1 526 51 51 LEU CA C 53.118 0.300 1 527 51 51 LEU CB C 43.983 0.300 1 528 51 51 LEU CD1 C 25.855 0.300 2 529 51 51 LEU CD2 C 23.737 0.300 2 530 51 51 LEU CG C 27.670 0.300 1 531 51 51 LEU N N 119.693 0.300 1 532 52 52 VAL H H 7.862 0.030 1 533 52 52 VAL HA H 3.841 0.030 1 534 52 52 VAL HB H 1.744 0.030 1 535 52 52 VAL HG1 H 0.964 0.030 1 536 52 52 VAL HG2 H 0.871 0.030 1 537 52 52 VAL C C 176.965 0.300 1 538 52 52 VAL CA C 62.502 0.300 1 539 52 52 VAL CB C 32.700 0.300 1 540 52 52 VAL CG1 C 20.881 0.300 2 541 52 52 VAL CG2 C 21.532 0.300 2 542 52 52 VAL N N 123.388 0.300 1 543 53 53 ALA H H 9.000 0.030 1 544 53 53 ALA HA H 4.301 0.030 1 545 53 53 ALA HB H 1.374 0.030 1 546 53 53 ALA C C 178.582 0.300 1 547 53 53 ALA CA C 53.793 0.300 1 548 53 53 ALA CB C 17.812 0.300 1 549 53 53 ALA N N 134.854 0.300 1 550 54 54 ASP H H 9.535 0.030 1 551 54 54 ASP HA H 4.339 0.030 1 552 54 54 ASP HB2 H 2.733 0.030 2 553 54 54 ASP HB3 H 2.976 0.030 2 554 54 54 ASP C C 175.585 0.300 1 555 54 54 ASP CA C 56.056 0.300 1 556 54 54 ASP CB C 40.446 0.300 1 557 54 54 ASP N N 120.214 0.300 1 558 55 55 GLY H H 8.002 0.030 1 559 55 55 GLY HA2 H 3.873 0.030 2 560 55 55 GLY HA3 H 4.236 0.030 2 561 55 55 GLY C C 174.166 0.300 1 562 55 55 GLY CA C 44.634 0.300 1 563 55 55 GLY N N 105.831 0.300 1 564 56 56 VAL H H 8.683 0.030 1 565 56 56 VAL HA H 3.697 0.030 1 566 56 56 VAL HB H 2.148 0.030 1 567 56 56 VAL HG1 H 1.102 0.030 1 568 56 56 VAL HG2 H 1.210 0.030 1 569 56 56 VAL C C 178.939 0.300 1 570 56 56 VAL CA C 66.198 0.300 1 571 56 56 VAL CB C 31.937 0.300 1 572 56 56 VAL CG1 C 21.796 0.300 2 573 56 56 VAL CG2 C 22.314 0.300 2 574 56 56 VAL N N 116.215 0.300 1 575 57 57 ALA H H 7.660 0.030 1 576 57 57 ALA HA H 4.129 0.030 1 577 57 57 ALA HB H 1.577 0.030 1 578 57 57 ALA C C 180.779 0.300 1 579 57 57 ALA CA C 55.383 0.300 1 580 57 57 ALA CB C 19.103 0.300 1 581 57 57 ALA N N 122.099 0.300 1 582 58 58 GLU H H 9.724 0.030 1 583 58 58 GLU HA H 3.936 0.030 1 584 58 58 GLU HB2 H 2.142 0.030 2 585 58 58 GLU HB3 H 2.211 0.030 2 586 58 58 GLU HG2 H 2.186 0.030 1 587 58 58 GLU HG3 H 2.186 0.030 1 588 58 58 GLU C C 178.678 0.300 1 589 58 58 GLU CA C 60.209 0.300 1 590 58 58 GLU CB C 30.225 0.300 1 591 58 58 GLU CG C 37.537 0.300 1 592 58 58 GLU N N 124.482 0.300 1 593 59 59 ARG H H 8.508 0.030 1 594 59 59 ARG HA H 4.066 0.030 1 595 59 59 ARG HB2 H 1.836 0.030 1 596 59 59 ARG HB3 H 1.836 0.030 1 597 59 59 ARG HD2 H 3.075 0.030 2 598 59 59 ARG HD3 H 3.157 0.030 2 599 59 59 ARG HE H 7.034 0.030 1 600 59 59 ARG HG2 H 1.664 0.030 2 601 59 59 ARG HG3 H 1.779 0.030 2 602 59 59 ARG C C 178.464 0.300 1 603 59 59 ARG CA C 58.828 0.300 1 604 59 59 ARG CB C 30.470 0.300 1 605 59 59 ARG CD C 43.508 0.300 1 606 59 59 ARG CG C 28.332 0.300 1 607 59 59 ARG N N 117.024 0.300 1 608 59 59 ARG NE N 84.831 0.300 1 609 60 60 SER H H 7.745 0.030 1 610 60 60 SER HA H 4.283 0.030 1 611 60 60 SER HB2 H 3.966 0.030 2 612 60 60 SER HB3 H 4.025 0.030 2 613 60 60 SER C C 176.172 0.300 1 614 60 60 SER CA C 60.851 0.300 1 615 60 60 SER CB C 64.324 0.300 1 616 60 60 SER N N 112.834 0.300 1 617 61 61 GLY H H 7.345 0.030 1 618 61 61 GLY HA2 H 3.985 0.030 2 619 61 61 GLY HA3 H 4.160 0.030 2 620 61 61 GLY C C 174.760 0.300 1 621 61 61 GLY CA C 45.979 0.300 1 622 61 61 GLY N N 108.460 0.300 1 623 62 62 GLY H H 8.286 0.030 1 624 62 62 GLY HA2 H 3.632 0.030 2 625 62 62 GLY HA3 H 4.043 0.030 2 626 62 62 GLY C C 172.429 0.300 1 627 62 62 GLY CA C 45.469 0.300 1 628 62 62 GLY N N 105.197 0.300 1 629 63 63 LEU H H 7.470 0.030 1 630 63 63 LEU HA H 4.690 0.030 1 631 63 63 LEU HB2 H 1.228 0.030 2 632 63 63 LEU HB3 H 1.336 0.030 2 633 63 63 LEU HD1 H 0.444 0.030 1 634 63 63 LEU HD2 H 0.292 0.030 1 635 63 63 LEU HG H 1.407 0.030 1 636 63 63 LEU C C 173.745 0.300 1 637 63 63 LEU CA C 54.179 0.300 1 638 63 63 LEU CB C 44.835 0.300 1 639 63 63 LEU CD1 C 26.523 0.300 2 640 63 63 LEU CD2 C 26.445 0.300 2 641 63 63 LEU CG C 26.558 0.300 1 642 63 63 LEU N N 116.975 0.300 1 643 64 64 LEU H H 9.032 0.030 1 644 64 64 LEU HA H 4.871 0.030 1 645 64 64 LEU HB2 H 1.309 0.030 2 646 64 64 LEU HB3 H 1.533 0.030 2 647 64 64 LEU HD1 H 0.868 0.030 1 648 64 64 LEU HD2 H 0.884 0.030 1 649 64 64 LEU HG H 1.438 0.030 1 650 64 64 LEU C C 173.979 0.300 1 651 64 64 LEU CA C 51.476 0.300 1 652 64 64 LEU CB C 43.650 0.300 1 653 64 64 LEU CD1 C 25.313 0.300 2 654 64 64 LEU CD2 C 23.081 0.300 2 655 64 64 LEU CG C 26.960 0.300 1 656 64 64 LEU N N 124.978 0.300 1 657 65 65 PRO HA H 3.826 0.030 1 658 65 65 PRO HB2 H 1.827 0.030 2 659 65 65 PRO HB3 H 2.205 0.030 2 660 65 65 PRO HD2 H 3.576 0.030 1 661 65 65 PRO HD3 H 3.576 0.030 1 662 65 65 PRO HG2 H 1.562 0.030 2 663 65 65 PRO HG3 H 2.280 0.030 2 664 65 65 PRO C C 177.365 0.300 1 665 65 65 PRO CA C 63.442 0.300 1 666 65 65 PRO CB C 31.035 0.300 1 667 65 65 PRO CD C 50.661 0.300 1 668 65 65 PRO CG C 29.000 0.300 1 669 66 66 GLY H H 9.268 0.030 1 670 66 66 GLY HA2 H 3.476 0.030 2 671 66 66 GLY HA3 H 4.518 0.030 2 672 66 66 GLY C C 174.522 0.300 1 673 66 66 GLY CA C 44.865 0.300 1 674 66 66 GLY N N 114.215 0.300 1 675 67 67 ASP H H 8.104 0.030 1 676 67 67 ASP HA H 4.756 0.030 1 677 67 67 ASP HB2 H 2.516 0.030 2 678 67 67 ASP HB3 H 2.702 0.030 2 679 67 67 ASP C C 174.514 0.300 1 680 67 67 ASP CA C 55.292 0.300 1 681 67 67 ASP CB C 41.130 0.300 1 682 67 67 ASP N N 122.417 0.300 1 683 68 68 ARG H H 8.590 0.030 1 684 68 68 ARG HA H 4.527 0.030 1 685 68 68 ARG HB2 H 0.177 0.030 2 686 68 68 ARG HB3 H 1.184 0.030 2 687 68 68 ARG HD2 H 2.244 0.030 1 688 68 68 ARG HD3 H 2.244 0.030 1 689 68 68 ARG HE H 7.043 0.030 1 690 68 68 ARG HG2 H 0.934 0.030 2 691 68 68 ARG HG3 H 1.185 0.030 2 692 68 68 ARG C C 174.483 0.300 1 693 68 68 ARG CA C 54.961 0.300 1 694 68 68 ARG CB C 31.606 0.300 1 695 68 68 ARG CD C 43.870 0.300 1 696 68 68 ARG CG C 27.141 0.300 1 697 68 68 ARG N N 121.232 0.300 1 698 68 68 ARG NE N 83.611 0.300 1 699 69 69 LEU H H 8.642 0.030 1 700 69 69 LEU HA H 4.775 0.030 1 701 69 69 LEU HB2 H 0.830 0.030 2 702 69 69 LEU HB3 H 1.726 0.030 2 703 69 69 LEU HD1 H 0.943 0.030 1 704 69 69 LEU HD2 H 0.749 0.030 1 705 69 69 LEU HG H 1.316 0.030 1 706 69 69 LEU C C 174.586 0.300 1 707 69 69 LEU CA C 53.247 0.300 1 708 69 69 LEU CB C 42.959 0.300 1 709 69 69 LEU CD1 C 24.633 0.300 2 710 69 69 LEU CD2 C 26.770 0.300 2 711 69 69 LEU CG C 27.271 0.300 1 712 69 69 LEU N N 129.363 0.300 1 713 70 70 VAL H H 9.028 0.030 1 714 70 70 VAL HA H 4.095 0.030 1 715 70 70 VAL HB H 1.935 0.030 1 716 70 70 VAL HG1 H 0.848 0.030 1 717 70 70 VAL HG2 H 0.796 0.030 1 718 70 70 VAL C C 176.735 0.300 1 719 70 70 VAL CA C 63.166 0.300 1 720 70 70 VAL CB C 33.184 0.300 1 721 70 70 VAL CG1 C 21.625 0.300 2 722 70 70 VAL CG2 C 21.406 0.300 2 723 70 70 VAL N N 123.451 0.300 1 724 71 71 SER H H 7.833 0.030 1 725 71 71 SER HA H 5.284 0.030 1 726 71 71 SER HB2 H 3.680 0.030 2 727 71 71 SER HB3 H 3.783 0.030 2 728 71 71 SER C C 173.111 0.300 1 729 71 71 SER CA C 57.499 0.300 1 730 71 71 SER CB C 65.560 0.300 1 731 71 71 SER N N 111.977 0.300 1 732 72 72 VAL H H 8.663 0.030 1 733 72 72 VAL HA H 4.479 0.030 1 734 72 72 VAL HB H 1.933 0.030 1 735 72 72 VAL HG1 H 0.844 0.030 1 736 72 72 VAL HG2 H 0.896 0.030 1 737 72 72 VAL C C 174.332 0.300 1 738 72 72 VAL CA C 60.761 0.300 1 739 72 72 VAL CB C 34.282 0.300 1 740 72 72 VAL CG1 C 20.874 0.300 2 741 72 72 VAL CG2 C 21.487 0.300 2 742 72 72 VAL N N 119.603 0.300 1 743 73 73 ASN H H 9.665 0.030 1 744 73 73 ASN HA H 4.445 0.030 1 745 73 73 ASN HB2 H 3.208 0.030 1 746 73 73 ASN HB3 H 3.208 0.030 1 747 73 73 ASN HD21 H 6.834 0.030 2 748 73 73 ASN HD22 H 8.188 0.030 2 749 73 73 ASN C C 175.470 0.300 1 750 73 73 ASN CA C 55.164 0.300 1 751 73 73 ASN CB C 36.483 0.300 1 752 73 73 ASN N N 126.656 0.300 1 753 73 73 ASN ND2 N 110.413 0.300 1 754 74 74 GLU H H 9.685 0.030 1 755 74 74 GLU HA H 4.180 0.030 1 756 74 74 GLU HB2 H 1.975 0.030 1 757 74 74 GLU HB3 H 1.975 0.030 1 758 74 74 GLU HG2 H 1.594 0.030 2 759 74 74 GLU HG3 H 2.042 0.030 2 760 74 74 GLU C C 175.542 0.300 1 761 74 74 GLU CA C 57.798 0.300 1 762 74 74 GLU CB C 28.293 0.300 1 763 74 74 GLU CG C 35.600 0.300 1 764 75 75 TYR H H 8.641 0.030 1 765 75 75 TYR HA H 4.424 0.030 1 766 75 75 TYR HB2 H 2.897 0.030 2 767 75 75 TYR HB3 H 3.110 0.030 2 768 75 75 TYR HD1 H 7.167 0.030 1 769 75 75 TYR HD2 H 7.167 0.030 1 770 75 75 TYR HE1 H 6.811 0.030 1 771 75 75 TYR HE2 H 6.811 0.030 1 772 75 75 TYR C C 174.895 0.300 1 773 75 75 TYR CA C 58.241 0.300 1 774 75 75 TYR CB C 38.373 0.300 1 775 75 75 TYR CD1 C 133.042 0.300 1 776 75 75 TYR CD2 C 133.042 0.300 1 777 75 75 TYR CE1 C 118.098 0.300 1 778 75 75 TYR CE2 C 118.098 0.300 1 779 75 75 TYR N N 123.048 0.300 1 780 76 76 CYS H H 8.777 0.030 1 781 76 76 CYS HA H 4.470 0.030 1 782 76 76 CYS HB2 H 2.819 0.030 2 783 76 76 CYS HB3 H 3.076 0.030 2 784 76 76 CYS C C 175.649 0.300 1 785 76 76 CYS CA C 58.775 0.300 1 786 76 76 CYS CB C 27.855 0.300 1 787 76 76 CYS N N 125.431 0.300 1 788 77 77 LEU H H 8.502 0.030 1 789 77 77 LEU HA H 4.611 0.030 1 790 77 77 LEU HB2 H 1.513 0.030 2 791 77 77 LEU HB3 H 1.738 0.030 2 792 77 77 LEU HD1 H 0.727 0.030 1 793 77 77 LEU HD2 H 0.731 0.030 1 794 77 77 LEU HG H 1.480 0.030 1 795 77 77 LEU C C 176.913 0.300 1 796 77 77 LEU CA C 54.436 0.300 1 797 77 77 LEU CB C 40.610 0.300 1 798 77 77 LEU CD1 C 25.924 0.300 2 799 77 77 LEU CD2 C 23.459 0.300 2 800 77 77 LEU CG C 27.679 0.300 1 801 77 77 LEU N N 127.334 0.300 1 802 78 78 ASP H H 7.996 0.030 1 803 78 78 ASP HA H 4.432 0.030 1 804 78 78 ASP HB2 H 2.583 0.030 2 805 78 78 ASP HB3 H 2.624 0.030 2 806 78 78 ASP C C 176.997 0.300 1 807 78 78 ASP CA C 56.407 0.300 1 808 78 78 ASP CB C 40.712 0.300 1 809 78 78 ASP N N 122.423 0.300 1 810 79 79 ASN H H 8.910 0.030 1 811 79 79 ASN HA H 4.773 0.030 1 812 79 79 ASN HB2 H 2.702 0.030 2 813 79 79 ASN HB3 H 3.067 0.030 2 814 79 79 ASN HD21 H 6.914 0.030 2 815 79 79 ASN HD22 H 7.637 0.030 2 816 79 79 ASN C C 174.490 0.300 1 817 79 79 ASN CA C 53.707 0.300 1 818 79 79 ASN CB C 38.109 0.300 1 819 79 79 ASN N N 118.529 0.300 1 820 79 79 ASN ND2 N 112.915 0.300 1 821 80 80 THR H H 7.615 0.030 1 822 80 80 THR HA H 4.446 0.030 1 823 80 80 THR HB H 3.944 0.030 1 824 80 80 THR HG2 H 1.224 0.030 1 825 80 80 THR C C 173.991 0.300 1 826 80 80 THR CA C 61.677 0.300 1 827 80 80 THR CB C 70.637 0.300 1 828 80 80 THR CG2 C 21.536 0.300 1 829 80 80 THR N N 113.829 0.300 1 830 81 81 SER H H 8.750 0.030 1 831 81 81 SER HA H 4.444 0.030 1 832 81 81 SER HB2 H 4.025 0.030 2 833 81 81 SER HB3 H 4.242 0.030 2 834 81 81 SER C C 174.586 0.300 1 835 81 81 SER CA C 57.255 0.300 1 836 81 81 SER CB C 65.100 0.300 1 837 81 81 SER N N 120.502 0.300 1 838 82 82 LEU H H 8.814 0.030 1 839 82 82 LEU HA H 3.922 0.030 1 840 82 82 LEU HB2 H 1.413 0.030 2 841 82 82 LEU HB3 H 1.825 0.030 2 842 82 82 LEU HD1 H 0.856 0.030 1 843 82 82 LEU HD2 H 1.013 0.030 1 844 82 82 LEU HG H 1.609 0.030 1 845 82 82 LEU C C 177.829 0.300 1 846 82 82 LEU CA C 58.487 0.300 1 847 82 82 LEU CB C 41.289 0.300 1 848 82 82 LEU CD1 C 23.089 0.300 2 849 82 82 LEU CD2 C 25.759 0.300 2 850 82 82 LEU CG C 26.598 0.300 1 851 82 82 LEU N N 122.230 0.300 1 852 83 83 ALA H H 8.442 0.030 1 853 83 83 ALA HA H 3.953 0.030 1 854 83 83 ALA HB H 1.360 0.030 1 855 83 83 ALA C C 181.159 0.300 1 856 83 83 ALA CA C 55.173 0.300 1 857 83 83 ALA CB C 18.045 0.300 1 858 83 83 ALA N N 117.595 0.300 1 859 84 84 GLU H H 7.651 0.030 1 860 84 84 GLU HA H 3.937 0.030 1 861 84 84 GLU HB2 H 1.896 0.030 2 862 84 84 GLU HB3 H 2.200 0.030 2 863 84 84 GLU HG2 H 2.195 0.030 2 864 84 84 GLU HG3 H 2.250 0.030 2 865 84 84 GLU C C 178.860 0.300 1 866 84 84 GLU CA C 58.726 0.300 1 867 84 84 GLU CB C 30.111 0.300 1 868 84 84 GLU CG C 36.918 0.300 1 869 84 84 GLU N N 117.727 0.300 1 870 85 85 ALA H H 8.624 0.030 1 871 85 85 ALA HA H 3.858 0.030 1 872 85 85 ALA HB H 1.388 0.030 1 873 85 85 ALA C C 178.947 0.300 1 874 85 85 ALA CA C 55.444 0.300 1 875 85 85 ALA CB C 18.490 0.300 1 876 85 85 ALA N N 123.680 0.300 1 877 86 86 VAL H H 8.671 0.030 1 878 86 86 VAL HA H 3.452 0.030 1 879 86 86 VAL HB H 2.145 0.030 1 880 86 86 VAL HG1 H 0.892 0.030 1 881 86 86 VAL HG2 H 1.047 0.030 1 882 86 86 VAL C C 178.963 0.300 1 883 86 86 VAL CA C 66.899 0.300 1 884 86 86 VAL CB C 31.811 0.300 1 885 86 86 VAL CG1 C 21.177 0.300 2 886 86 86 VAL CG2 C 23.347 0.300 2 887 86 86 VAL N N 117.581 0.300 1 888 87 87 GLU H H 7.404 0.030 1 889 87 87 GLU HA H 3.944 0.030 1 890 87 87 GLU HB2 H 2.065 0.030 1 891 87 87 GLU HB3 H 2.065 0.030 1 892 87 87 GLU HG2 H 2.330 0.030 1 893 87 87 GLU HG3 H 2.330 0.030 1 894 87 87 GLU C C 179.375 0.300 1 895 87 87 GLU CA C 58.935 0.300 1 896 87 87 GLU CB C 28.729 0.300 1 897 87 87 GLU CG C 35.592 0.300 1 898 87 87 GLU N N 118.933 0.300 1 899 88 88 ILE H H 8.032 0.030 1 900 88 88 ILE HA H 3.423 0.030 1 901 88 88 ILE HB H 1.756 0.030 1 902 88 88 ILE HD1 H 0.520 0.030 1 903 88 88 ILE HG12 H 0.502 0.030 2 904 88 88 ILE HG13 H 1.519 0.030 2 905 88 88 ILE HG2 H 0.457 0.030 1 906 88 88 ILE C C 178.487 0.300 1 907 88 88 ILE CA C 65.126 0.300 1 908 88 88 ILE CB C 37.851 0.300 1 909 88 88 ILE CD1 C 13.683 0.300 1 910 88 88 ILE CG1 C 29.331 0.300 1 911 88 88 ILE CG2 C 16.403 0.300 1 912 88 88 ILE N N 122.307 0.300 1 913 89 89 LEU H H 7.981 0.030 1 914 89 89 LEU HA H 3.850 0.030 1 915 89 89 LEU HB2 H 1.306 0.030 2 916 89 89 LEU HB3 H 1.811 0.030 2 917 89 89 LEU HD1 H 0.741 0.030 1 918 89 89 LEU HD2 H 0.774 0.030 1 919 89 89 LEU HG H 1.633 0.030 1 920 89 89 LEU C C 179.463 0.300 1 921 89 89 LEU CA C 58.102 0.300 1 922 89 89 LEU CB C 41.639 0.300 1 923 89 89 LEU CD1 C 25.672 0.300 2 924 89 89 LEU CD2 C 24.279 0.300 2 925 89 89 LEU CG C 27.778 0.300 1 926 89 89 LEU N N 118.691 0.300 1 927 90 90 LYS H H 7.983 0.030 1 928 90 90 LYS HA H 3.930 0.030 1 929 90 90 LYS HB2 H 1.820 0.030 1 930 90 90 LYS HB3 H 1.820 0.030 1 931 90 90 LYS HD2 H 1.608 0.030 1 932 90 90 LYS HD3 H 1.608 0.030 1 933 90 90 LYS HE2 H 2.857 0.030 1 934 90 90 LYS HE3 H 2.857 0.030 1 935 90 90 LYS HG2 H 1.370 0.030 2 936 90 90 LYS HG3 H 1.542 0.030 2 937 90 90 LYS C C 177.583 0.300 1 938 90 90 LYS CA C 58.913 0.300 1 939 90 90 LYS CB C 32.880 0.300 1 940 90 90 LYS CD C 29.595 0.300 1 941 90 90 LYS CE C 41.774 0.300 1 942 90 90 LYS CG C 25.175 0.300 1 943 90 90 LYS N N 118.843 0.300 1 944 91 91 ALA H H 7.570 0.030 1 945 91 91 ALA HA H 4.171 0.030 1 946 91 91 ALA HB H 1.397 0.030 1 947 91 91 ALA C C 178.527 0.300 1 948 91 91 ALA CA C 52.522 0.300 1 949 91 91 ALA CB C 19.087 0.300 1 950 91 91 ALA N N 119.115 0.300 1 951 92 92 VAL H H 7.162 0.030 1 952 92 92 VAL HA H 4.257 0.030 1 953 92 92 VAL HB H 2.030 0.030 1 954 92 92 VAL HG1 H 1.094 0.030 1 955 92 92 VAL HG2 H 1.093 0.030 1 956 92 92 VAL C C 174.090 0.300 1 957 92 92 VAL CA C 60.822 0.300 1 958 92 92 VAL CB C 31.755 0.300 1 959 92 92 VAL CG1 C 21.652 0.300 2 960 92 92 VAL CG2 C 22.302 0.300 2 961 92 92 VAL N N 118.947 0.300 1 962 93 93 PRO HA H 4.682 0.030 1 963 93 93 PRO HB2 H 1.881 0.030 2 964 93 93 PRO HB3 H 2.375 0.030 2 965 93 93 PRO HD2 H 3.557 0.030 2 966 93 93 PRO HD3 H 4.091 0.030 2 967 93 93 PRO HG2 H 2.023 0.030 2 968 93 93 PRO HG3 H 2.101 0.030 2 969 93 93 PRO CA C 61.871 0.300 1 970 93 93 PRO CB C 30.687 0.300 1 971 93 93 PRO CD C 51.139 0.300 1 972 93 93 PRO CG C 27.441 0.300 1 973 94 94 PRO HA H 3.992 0.030 1 974 94 94 PRO HB2 H 1.855 0.030 2 975 94 94 PRO HB3 H 2.178 0.030 2 976 94 94 PRO HD2 H 3.573 0.030 2 977 94 94 PRO HD3 H 3.782 0.030 2 978 94 94 PRO HG2 H 1.859 0.030 2 979 94 94 PRO HG3 H 2.051 0.030 2 980 94 94 PRO C C 175.906 0.300 1 981 94 94 PRO CA C 63.173 0.300 1 982 94 94 PRO CB C 31.998 0.300 1 983 94 94 PRO CD C 50.109 0.300 1 984 94 94 PRO CG C 27.741 0.300 1 985 95 95 GLY H H 8.577 0.030 1 986 95 95 GLY HA2 H 3.584 0.030 2 987 95 95 GLY HA3 H 4.563 0.030 2 988 95 95 GLY C C 172.778 0.300 1 989 95 95 GLY CA C 43.284 0.300 1 990 95 95 GLY N N 109.939 0.300 1 991 96 96 LEU H H 8.463 0.030 1 992 96 96 LEU HA H 4.367 0.030 1 993 96 96 LEU HB2 H 1.313 0.030 2 994 96 96 LEU HB3 H 1.557 0.030 2 995 96 96 LEU HD1 H 0.792 0.030 1 996 96 96 LEU HD2 H 0.745 0.030 1 997 96 96 LEU HG H 1.348 0.030 1 998 96 96 LEU C C 177.226 0.300 1 999 96 96 LEU CA C 56.235 0.300 1 1000 96 96 LEU CB C 42.541 0.300 1 1001 96 96 LEU CD1 C 24.309 0.300 2 1002 96 96 LEU CD2 C 24.647 0.300 2 1003 96 96 LEU CG C 26.935 0.300 1 1004 96 96 LEU N N 122.830 0.300 1 1005 97 97 VAL H H 9.407 0.030 1 1006 97 97 VAL HA H 4.594 0.030 1 1007 97 97 VAL HB H 1.924 0.030 1 1008 97 97 VAL HG1 H 0.908 0.030 1 1009 97 97 VAL HG2 H 1.021 0.030 1 1010 97 97 VAL C C 173.928 0.300 1 1011 97 97 VAL CA C 60.570 0.300 1 1012 97 97 VAL CB C 34.831 0.300 1 1013 97 97 VAL CG1 C 21.777 0.300 2 1014 97 97 VAL CG2 C 23.033 0.300 2 1015 97 97 VAL N N 127.172 0.300 1 1016 98 98 HIS H H 8.705 0.030 1 1017 98 98 HIS HA H 5.128 0.030 1 1018 98 98 HIS HB2 H 2.843 0.030 2 1019 98 98 HIS HB3 H 3.107 0.030 2 1020 98 98 HIS HD2 H 6.936 0.030 1 1021 98 98 HIS HE1 H 8.002 0.030 1 1022 98 98 HIS C C 175.323 0.300 1 1023 98 98 HIS CA C 55.055 0.300 1 1024 98 98 HIS CB C 30.971 0.300 1 1025 98 98 HIS CD2 C 118.544 0.300 1 1026 98 98 HIS CE1 C 137.098 0.300 1 1027 98 98 HIS N N 123.223 0.300 1 1028 99 99 LEU H H 9.585 0.030 1 1029 99 99 LEU HA H 5.120 0.030 1 1030 99 99 LEU HB2 H 1.291 0.030 2 1031 99 99 LEU HB3 H 1.828 0.030 2 1032 99 99 LEU HD1 H 0.828 0.030 1 1033 99 99 LEU HD2 H 0.975 0.030 1 1034 99 99 LEU HG H 1.671 0.030 1 1035 99 99 LEU C C 174.911 0.300 1 1036 99 99 LEU CA C 53.204 0.300 1 1037 99 99 LEU CB C 42.964 0.300 1 1038 99 99 LEU CD1 C 27.722 0.300 2 1039 99 99 LEU CD2 C 24.960 0.300 2 1040 99 99 LEU CG C 26.965 0.300 1 1041 99 99 LEU N N 128.260 0.300 1 1042 100 100 GLY H H 8.771 0.030 1 1043 100 100 GLY HA2 H 3.325 0.030 2 1044 100 100 GLY HA3 H 4.759 0.030 2 1045 100 100 GLY C C 172.969 0.300 1 1046 100 100 GLY CA C 45.300 0.300 1 1047 100 100 GLY N N 112.760 0.300 1 1048 101 101 ILE H H 9.456 0.030 1 1049 101 101 ILE HA H 5.365 0.030 1 1050 101 101 ILE HB H 1.870 0.030 1 1051 101 101 ILE HD1 H 0.655 0.030 1 1052 101 101 ILE HG12 H 1.265 0.030 1 1053 101 101 ILE HG13 H 1.265 0.030 1 1054 101 101 ILE HG2 H 0.821 0.030 1 1055 101 101 ILE C C 175.751 0.300 1 1056 101 101 ILE CA C 57.267 0.300 1 1057 101 101 ILE CB C 41.012 0.300 1 1058 101 101 ILE CD1 C 12.314 0.300 1 1059 101 101 ILE CG1 C 26.055 0.300 1 1060 101 101 ILE CG2 C 17.755 0.300 1 1061 101 101 ILE N N 127.487 0.300 1 1062 102 102 CYS H H 8.937 0.030 1 1063 102 102 CYS HA H 5.046 0.030 1 1064 102 102 CYS HB2 H 2.333 0.030 2 1065 102 102 CYS HB3 H 3.499 0.030 2 1066 102 102 CYS C C 174.578 0.300 1 1067 102 102 CYS CA C 57.264 0.300 1 1068 102 102 CYS CB C 30.521 0.300 1 1069 102 102 CYS N N 122.764 0.300 1 1070 103 103 SER H H 9.125 0.030 1 1071 103 103 SER HA H 4.474 0.030 1 1072 103 103 SER HB2 H 3.731 0.030 2 1073 103 103 SER HB3 H 4.009 0.030 2 1074 103 103 SER C C 175.315 0.300 1 1075 103 103 SER CA C 59.494 0.300 1 1076 103 103 SER CB C 64.120 0.300 1 1077 103 103 SER N N 121.238 0.300 1 1078 104 104 GLY H H 9.211 0.030 1 1079 104 104 GLY HA2 H 3.914 0.030 2 1080 104 104 GLY HA3 H 4.417 0.030 2 1081 104 104 GLY C C 172.044 0.300 1 1082 104 104 GLY CA C 44.585 0.300 1 1083 104 104 GLY N N 111.317 0.300 1 1084 105 105 PRO HA H 4.363 0.030 1 1085 105 105 PRO HB2 H 1.847 0.030 2 1086 105 105 PRO HB3 H 2.133 0.030 2 1087 105 105 PRO HD2 H 3.256 0.030 2 1088 105 105 PRO HD3 H 3.412 0.030 2 1089 105 105 PRO HG2 H 1.749 0.030 2 1090 105 105 PRO HG3 H 1.806 0.030 2 1091 105 105 PRO C C 177.365 0.300 1 1092 105 105 PRO CA C 63.203 0.300 1 1093 105 105 PRO CB C 32.025 0.300 1 1094 105 105 PRO CD C 49.433 0.300 1 1095 105 105 PRO CG C 27.017 0.300 1 1096 106 106 SER H H 8.518 0.030 1 1097 106 106 SER HA H 4.462 0.030 1 1098 106 106 SER HB2 H 3.840 0.030 2 1099 106 106 SER HB3 H 3.884 0.030 2 1100 106 106 SER C C 174.677 0.300 1 1101 106 106 SER CA C 58.271 0.300 1 1102 106 106 SER CB C 63.689 0.300 1 1103 106 106 SER N N 116.229 0.300 1 1104 107 107 SER H H 8.299 0.030 1 1105 107 107 SER HA H 4.464 0.030 1 1106 107 107 SER HB2 H 3.839 0.030 2 1107 107 107 SER HB3 H 3.905 0.030 2 1108 107 107 SER C C 173.972 0.300 1 1109 107 107 SER CA C 58.274 0.300 1 1110 107 107 SER CB C 64.115 0.300 1 1111 107 107 SER N N 118.082 0.300 1 1112 108 108 GLY H H 8.052 0.030 1 1113 108 108 GLY HA2 H 3.740 0.030 1 1114 108 108 GLY HA3 H 3.740 0.030 1 1115 108 108 GLY C C 178.990 0.300 1 1116 108 108 GLY CA C 46.105 0.300 1 1117 108 108 GLY N N 116.895 0.300 1 stop_ save_