data_11206 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fourth PDZ domain of Glutamate receptor interacting protein 2 ; _BMRB_accession_number 11206 _BMRB_flat_file_name bmr11206.str _Entry_type original _Submission_date 2010-07-22 _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 Qin X. . . 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" 568 "13C chemical shifts" 440 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-21 original author . stop_ _Original_release_date 2011-07-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the fourth PDZ domain of Glutamate receptor interacting protein 2 ; _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 Qin X. . . 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 'Glutamate receptor interacting protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ domain of Glutamate receptor interacting protein 2' $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 112 _Mol_residue_sequence ; GSSGSSGGGQIVHTETTEVV LCGDPLSGFGLQLQGGIFAT ETLSSPPLVCFIEPDSPAER CGLLQVGDRVLSINGIATED GTMEEANQLLRDAALAHKVV LEVEFDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 GLY 10 GLN 11 ILE 12 VAL 13 HIS 14 THR 15 GLU 16 THR 17 THR 18 GLU 19 VAL 20 VAL 21 LEU 22 CYS 23 GLY 24 ASP 25 PRO 26 LEU 27 SER 28 GLY 29 PHE 30 GLY 31 LEU 32 GLN 33 LEU 34 GLN 35 GLY 36 GLY 37 ILE 38 PHE 39 ALA 40 THR 41 GLU 42 THR 43 LEU 44 SER 45 SER 46 PRO 47 PRO 48 LEU 49 VAL 50 CYS 51 PHE 52 ILE 53 GLU 54 PRO 55 ASP 56 SER 57 PRO 58 ALA 59 GLU 60 ARG 61 CYS 62 GLY 63 LEU 64 LEU 65 GLN 66 VAL 67 GLY 68 ASP 69 ARG 70 VAL 71 LEU 72 SER 73 ILE 74 ASN 75 GLY 76 ILE 77 ALA 78 THR 79 GLU 80 ASP 81 GLY 82 THR 83 MET 84 GLU 85 GLU 86 ALA 87 ASN 88 GLN 89 LEU 90 LEU 91 ARG 92 ASP 93 ALA 94 ALA 95 LEU 96 ALA 97 HIS 98 LYS 99 VAL 100 VAL 101 LEU 102 GLU 103 VAL 104 GLU 105 PHE 106 ASP 107 SER 108 GLY 109 PRO 110 SER 111 SER 112 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 1X5R "Solution Structure Of The Fourth Pdz Domain Of Glutamate Receptor Interacting Protein 2" 100.00 112 100.00 100.00 8.02e-72 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 P040705-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.95mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.95 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 DelaglioF. . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address JohnsonB.A. . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9296 loop_ _Vendor _Address _Electronic_address KobayashiN. . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address GuntertP. . . 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_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _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 298 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 of Glutamate receptor interacting protein 2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 GLY HA2 H 3.998 0.030 1 2 8 8 GLY HA3 H 3.998 0.030 1 3 8 8 GLY C C 174.808 0.300 1 4 8 8 GLY CA C 45.449 0.300 1 5 9 9 GLY H H 8.315 0.030 1 6 9 9 GLY HA2 H 3.957 0.030 1 7 9 9 GLY HA3 H 3.957 0.030 1 8 9 9 GLY C C 174.024 0.300 1 9 9 9 GLY CA C 45.228 0.300 1 10 9 9 GLY N N 108.764 0.300 1 11 10 10 GLN H H 8.228 0.030 1 12 10 10 GLN HA H 4.351 0.030 1 13 10 10 GLN HB2 H 2.060 0.030 2 14 10 10 GLN HB3 H 1.953 0.030 2 15 10 10 GLN HE21 H 7.521 0.030 2 16 10 10 GLN HE22 H 6.861 0.030 2 17 10 10 GLN HG2 H 2.322 0.030 1 18 10 10 GLN HG3 H 2.322 0.030 1 19 10 10 GLN C C 175.764 0.300 1 20 10 10 GLN CA C 55.719 0.300 1 21 10 10 GLN CB C 29.582 0.300 1 22 10 10 GLN CG C 33.863 0.300 1 23 10 10 GLN N N 119.878 0.300 1 24 10 10 GLN NE2 N 112.468 0.300 1 25 11 11 ILE H H 8.247 0.030 1 26 11 11 ILE HA H 4.137 0.030 1 27 11 11 ILE HB H 1.791 0.030 1 28 11 11 ILE HD1 H 0.831 0.030 1 29 11 11 ILE HG12 H 1.437 0.030 2 30 11 11 ILE HG13 H 1.147 0.030 2 31 11 11 ILE HG2 H 0.771 0.030 1 32 11 11 ILE C C 175.865 0.300 1 33 11 11 ILE CA C 61.071 0.300 1 34 11 11 ILE CB C 38.600 0.300 1 35 11 11 ILE CD1 C 12.732 0.300 1 36 11 11 ILE CG1 C 27.282 0.300 1 37 11 11 ILE CG2 C 17.459 0.300 1 38 11 11 ILE N N 122.894 0.300 1 39 12 12 VAL H H 8.205 0.030 1 40 12 12 VAL HA H 4.143 0.030 1 41 12 12 VAL HB H 1.970 0.030 1 42 12 12 VAL HG1 H 0.854 0.030 1 43 12 12 VAL HG2 H 0.875 0.030 1 44 12 12 VAL C C 175.474 0.300 1 45 12 12 VAL CA C 61.837 0.300 1 46 12 12 VAL CB C 33.210 0.300 1 47 12 12 VAL CG1 C 21.183 0.300 2 48 12 12 VAL CG2 C 20.563 0.300 2 49 12 12 VAL N N 124.956 0.300 1 50 13 13 HIS H H 8.576 0.030 1 51 13 13 HIS HA H 4.770 0.030 1 52 13 13 HIS HB2 H 3.139 0.030 2 53 13 13 HIS HB3 H 3.069 0.030 2 54 13 13 HIS HD2 H 7.086 0.030 1 55 13 13 HIS HE1 H 7.906 0.030 1 56 13 13 HIS C C 174.594 0.300 1 57 13 13 HIS CA C 55.797 0.300 1 58 13 13 HIS CB C 30.619 0.300 1 59 13 13 HIS CD2 C 120.118 0.300 1 60 13 13 HIS CE1 C 138.280 0.300 1 61 13 13 HIS N N 124.645 0.300 1 62 14 14 THR H H 8.047 0.030 1 63 14 14 THR HA H 4.679 0.030 1 64 14 14 THR HB H 4.016 0.030 1 65 14 14 THR HG2 H 1.066 0.030 1 66 14 14 THR C C 173.575 0.300 1 67 14 14 THR CA C 60.882 0.300 1 68 14 14 THR CB C 70.885 0.300 1 69 14 14 THR CG2 C 21.889 0.300 1 70 14 14 THR N N 115.776 0.300 1 71 15 15 GLU H H 8.423 0.030 1 72 15 15 GLU HA H 4.456 0.030 1 73 15 15 GLU HB2 H 1.847 0.030 2 74 15 15 GLU HB3 H 1.494 0.030 2 75 15 15 GLU HG2 H 2.143 0.030 1 76 15 15 GLU HG3 H 2.143 0.030 1 77 15 15 GLU C C 174.585 0.300 1 78 15 15 GLU CA C 55.427 0.300 1 79 15 15 GLU CB C 32.664 0.300 1 80 15 15 GLU CG C 36.443 0.300 1 81 15 15 GLU N N 122.353 0.300 1 82 16 16 THR H H 8.049 0.030 1 83 16 16 THR HA H 5.379 0.030 1 84 16 16 THR HB H 4.045 0.030 1 85 16 16 THR HG2 H 1.041 0.030 1 86 16 16 THR C C 174.629 0.300 1 87 16 16 THR CA C 59.850 0.300 1 88 16 16 THR CB C 71.608 0.300 1 89 16 16 THR CG2 C 22.201 0.300 1 90 16 16 THR N N 111.608 0.300 1 91 17 17 THR H H 8.935 0.030 1 92 17 17 THR HA H 4.648 0.030 1 93 17 17 THR HB H 4.017 0.030 1 94 17 17 THR HG2 H 1.117 0.030 1 95 17 17 THR C C 171.860 0.300 1 96 17 17 THR CA C 61.207 0.300 1 97 17 17 THR CB C 70.867 0.300 1 98 17 17 THR CG2 C 20.324 0.300 1 99 17 17 THR N N 117.254 0.300 1 100 18 18 GLU H H 8.218 0.030 1 101 18 18 GLU HA H 5.156 0.030 1 102 18 18 GLU HB2 H 1.942 0.030 2 103 18 18 GLU HB3 H 1.844 0.030 2 104 18 18 GLU HG2 H 2.094 0.030 2 105 18 18 GLU HG3 H 1.852 0.030 2 106 18 18 GLU C C 175.688 0.300 1 107 18 18 GLU CA C 55.432 0.300 1 108 18 18 GLU CB C 31.904 0.300 1 109 18 18 GLU CG C 37.843 0.300 1 110 18 18 GLU N N 125.346 0.300 1 111 19 19 VAL H H 9.272 0.030 1 112 19 19 VAL HA H 4.206 0.030 1 113 19 19 VAL HB H 1.831 0.030 1 114 19 19 VAL HG1 H 0.848 0.030 1 115 19 19 VAL HG2 H 0.841 0.030 1 116 19 19 VAL C C 173.719 0.300 1 117 19 19 VAL CA C 61.696 0.300 1 118 19 19 VAL CB C 35.174 0.300 1 119 19 19 VAL CG1 C 21.887 0.300 2 120 19 19 VAL CG2 C 21.645 0.300 2 121 19 19 VAL N N 126.765 0.300 1 122 20 20 VAL H H 8.537 0.030 1 123 20 20 VAL HA H 4.835 0.030 1 124 20 20 VAL HB H 1.990 0.030 1 125 20 20 VAL HG1 H 0.838 0.030 1 126 20 20 VAL HG2 H 0.953 0.030 1 127 20 20 VAL C C 175.873 0.300 1 128 20 20 VAL CA C 61.206 0.300 1 129 20 20 VAL CB C 32.699 0.300 1 130 20 20 VAL CG1 C 21.140 0.300 2 131 20 20 VAL CG2 C 21.488 0.300 2 132 20 20 VAL N N 128.241 0.300 1 133 21 21 LEU H H 8.671 0.030 1 134 21 21 LEU HA H 4.955 0.030 1 135 21 21 LEU HB2 H 1.439 0.030 2 136 21 21 LEU HB3 H 1.277 0.030 2 137 21 21 LEU HD1 H 0.605 0.030 1 138 21 21 LEU HD2 H 0.855 0.030 1 139 21 21 LEU HG H 1.365 0.030 1 140 21 21 LEU C C 175.480 0.300 1 141 21 21 LEU CA C 52.755 0.300 1 142 21 21 LEU CB C 45.470 0.300 1 143 21 21 LEU CD1 C 26.116 0.300 2 144 21 21 LEU CD2 C 24.087 0.300 2 145 21 21 LEU CG C 26.421 0.300 1 146 21 21 LEU N N 125.473 0.300 1 147 22 22 CYS H H 8.561 0.030 1 148 22 22 CYS HA H 5.280 0.030 1 149 22 22 CYS HB2 H 3.122 0.030 2 150 22 22 CYS HB3 H 2.940 0.030 2 151 22 22 CYS C C 174.329 0.300 1 152 22 22 CYS CA C 57.639 0.300 1 153 22 22 CYS CB C 29.104 0.300 1 154 22 22 CYS N N 120.061 0.300 1 155 23 23 GLY H H 7.701 0.030 1 156 23 23 GLY HA2 H 4.112 0.030 2 157 23 23 GLY HA3 H 3.296 0.030 2 158 23 23 GLY C C 171.226 0.300 1 159 23 23 GLY CA C 45.278 0.300 1 160 23 23 GLY N N 108.102 0.300 1 161 24 24 ASP H H 7.715 0.030 1 162 24 24 ASP HA H 4.871 0.030 1 163 24 24 ASP HB2 H 2.664 0.030 1 164 24 24 ASP HB3 H 2.664 0.030 1 165 24 24 ASP C C 174.750 0.300 1 166 24 24 ASP CA C 51.853 0.300 1 167 24 24 ASP CB C 42.981 0.300 1 168 24 24 ASP N N 119.550 0.300 1 169 25 25 PRO HA H 4.019 0.030 1 170 25 25 PRO HB2 H 2.199 0.030 2 171 25 25 PRO HB3 H 1.878 0.030 2 172 25 25 PRO HD2 H 3.468 0.030 2 173 25 25 PRO HD3 H 3.683 0.030 2 174 25 25 PRO HG2 H 2.044 0.030 2 175 25 25 PRO HG3 H 1.861 0.030 2 176 25 25 PRO C C 177.090 0.300 1 177 25 25 PRO CA C 64.780 0.300 1 178 25 25 PRO CB C 32.408 0.300 1 179 25 25 PRO CD C 50.719 0.300 1 180 25 25 PRO CG C 27.618 0.300 1 181 26 26 LEU H H 8.284 0.030 1 182 26 26 LEU HA H 4.310 0.030 1 183 26 26 LEU HB2 H 1.773 0.030 2 184 26 26 LEU HB3 H 1.585 0.030 2 185 26 26 LEU HD1 H 0.913 0.030 1 186 26 26 LEU HD2 H 0.854 0.030 1 187 26 26 LEU HG H 1.583 0.030 1 188 26 26 LEU C C 178.648 0.300 1 189 26 26 LEU CA C 56.635 0.300 1 190 26 26 LEU CB C 41.882 0.300 1 191 26 26 LEU CD1 C 24.677 0.300 2 192 26 26 LEU CD2 C 23.500 0.300 2 193 26 26 LEU CG C 27.329 0.300 1 194 26 26 LEU N N 117.635 0.300 1 195 27 27 SER H H 8.368 0.030 1 196 27 27 SER HA H 4.494 0.030 1 197 27 27 SER HB2 H 3.901 0.030 2 198 27 27 SER HB3 H 3.795 0.030 2 199 27 27 SER C C 175.786 0.300 1 200 27 27 SER CA C 58.739 0.300 1 201 27 27 SER CB C 64.157 0.300 1 202 27 27 SER N N 113.136 0.300 1 203 28 28 GLY H H 8.194 0.030 1 204 28 28 GLY HA2 H 3.999 0.030 2 205 28 28 GLY HA3 H 3.345 0.030 2 206 28 28 GLY C C 174.228 0.300 1 207 28 28 GLY CA C 45.572 0.300 1 208 28 28 GLY N N 111.209 0.300 1 209 29 29 PHE H H 8.605 0.030 1 210 29 29 PHE HA H 4.553 0.030 1 211 29 29 PHE HB2 H 3.187 0.030 2 212 29 29 PHE HB3 H 2.866 0.030 2 213 29 29 PHE HD1 H 7.035 0.030 1 214 29 29 PHE HD2 H 7.035 0.030 1 215 29 29 PHE HE1 H 7.151 0.030 1 216 29 29 PHE HE2 H 7.151 0.030 1 217 29 29 PHE HZ H 6.652 0.030 1 218 29 29 PHE C C 175.972 0.300 1 219 29 29 PHE CA C 59.151 0.300 1 220 29 29 PHE CB C 40.528 0.300 1 221 29 29 PHE CD1 C 131.554 0.300 1 222 29 29 PHE CD2 C 131.554 0.300 1 223 29 29 PHE CE1 C 130.952 0.300 1 224 29 29 PHE CE2 C 130.952 0.300 1 225 29 29 PHE CZ C 129.088 0.300 1 226 29 29 PHE N N 118.079 0.300 1 227 30 30 GLY H H 8.632 0.030 1 228 30 30 GLY HA2 H 4.652 0.030 2 229 30 30 GLY HA3 H 3.893 0.030 2 230 30 30 GLY C C 172.902 0.300 1 231 30 30 GLY CA C 45.450 0.300 1 232 30 30 GLY N N 105.825 0.300 1 233 31 31 LEU H H 7.438 0.030 1 234 31 31 LEU HA H 5.230 0.030 1 235 31 31 LEU HB2 H 1.513 0.030 2 236 31 31 LEU HB3 H 1.397 0.030 2 237 31 31 LEU HD1 H 0.736 0.030 1 238 31 31 LEU HD2 H 0.745 0.030 1 239 31 31 LEU HG H 1.507 0.030 1 240 31 31 LEU C C 174.910 0.300 1 241 31 31 LEU CA C 53.395 0.300 1 242 31 31 LEU CB C 45.707 0.300 1 243 31 31 LEU CD1 C 26.605 0.300 2 244 31 31 LEU CD2 C 26.606 0.300 2 245 31 31 LEU CG C 26.712 0.300 1 246 31 31 LEU N N 116.608 0.300 1 247 32 32 GLN H H 8.221 0.030 1 248 32 32 GLN HA H 4.710 0.030 1 249 32 32 GLN HB2 H 2.179 0.030 2 250 32 32 GLN HB3 H 2.028 0.030 2 251 32 32 GLN HE21 H 6.620 0.030 2 252 32 32 GLN HE22 H 7.633 0.030 2 253 32 32 GLN HG2 H 2.427 0.030 1 254 32 32 GLN HG3 H 2.427 0.030 1 255 32 32 GLN C C 174.657 0.300 1 256 32 32 GLN CA C 54.683 0.300 1 257 32 32 GLN CB C 32.141 0.300 1 258 32 32 GLN CG C 33.562 0.300 1 259 32 32 GLN N N 120.787 0.300 1 260 32 32 GLN NE2 N 111.454 0.300 1 261 33 33 LEU H H 9.049 0.030 1 262 33 33 LEU HA H 5.497 0.030 1 263 33 33 LEU HB2 H 1.819 0.030 2 264 33 33 LEU HB3 H 1.204 0.030 2 265 33 33 LEU HD1 H 0.719 0.030 1 266 33 33 LEU HD2 H 0.691 0.030 1 267 33 33 LEU HG H 1.592 0.030 1 268 33 33 LEU C C 176.509 0.300 1 269 33 33 LEU CA C 53.105 0.300 1 270 33 33 LEU CB C 45.340 0.300 1 271 33 33 LEU CD1 C 25.515 0.300 2 272 33 33 LEU CD2 C 23.932 0.300 2 273 33 33 LEU CG C 27.118 0.300 1 274 33 33 LEU N N 123.482 0.300 1 275 34 34 GLN H H 9.286 0.030 1 276 34 34 GLN HA H 4.754 0.030 1 277 34 34 GLN HB2 H 2.222 0.030 2 278 34 34 GLN HB3 H 2.028 0.030 2 279 34 34 GLN HE21 H 7.493 0.030 2 280 34 34 GLN HE22 H 6.839 0.030 2 281 34 34 GLN HG2 H 2.449 0.030 2 282 34 34 GLN HG3 H 2.371 0.030 2 283 34 34 GLN C C 174.334 0.300 1 284 34 34 GLN CA C 55.001 0.300 1 285 34 34 GLN CB C 32.612 0.300 1 286 34 34 GLN CG C 33.916 0.300 1 287 34 34 GLN N N 120.618 0.300 1 288 34 34 GLN NE2 N 111.755 0.300 1 289 35 35 GLY H H 8.607 0.030 1 290 35 35 GLY HA2 H 4.407 0.030 2 291 35 35 GLY HA3 H 3.852 0.030 2 292 35 35 GLY C C 173.506 0.300 1 293 35 35 GLY CA C 45.549 0.300 1 294 35 35 GLY N N 113.670 0.300 1 295 36 36 GLY H H 8.159 0.030 1 296 36 36 GLY HA2 H 4.049 0.030 2 297 36 36 GLY HA3 H 3.911 0.030 2 298 36 36 GLY C C 173.858 0.300 1 299 36 36 GLY CA C 44.932 0.300 1 300 36 36 GLY N N 109.332 0.300 1 301 37 37 ILE H H 8.214 0.030 1 302 37 37 ILE HA H 4.014 0.030 1 303 37 37 ILE HB H 1.690 0.030 1 304 37 37 ILE HD1 H 0.768 0.030 1 305 37 37 ILE HG12 H 1.230 0.030 2 306 37 37 ILE HG13 H 1.042 0.030 2 307 37 37 ILE HG2 H 0.606 0.030 1 308 37 37 ILE C C 176.298 0.300 1 309 37 37 ILE CA C 62.156 0.300 1 310 37 37 ILE CB C 38.526 0.300 1 311 37 37 ILE CD1 C 12.900 0.300 1 312 37 37 ILE CG1 C 27.133 0.300 1 313 37 37 ILE CG2 C 17.354 0.300 1 314 37 37 ILE N N 118.907 0.300 1 315 38 38 PHE H H 8.180 0.030 1 316 38 38 PHE HA H 4.856 0.030 1 317 38 38 PHE HB2 H 3.275 0.030 2 318 38 38 PHE HB3 H 2.974 0.030 2 319 38 38 PHE HD1 H 7.315 0.030 1 320 38 38 PHE HD2 H 7.315 0.030 1 321 38 38 PHE HE1 H 7.238 0.030 1 322 38 38 PHE HE2 H 7.238 0.030 1 323 38 38 PHE HZ H 7.313 0.030 1 324 38 38 PHE C C 176.353 0.300 1 325 38 38 PHE CA C 56.908 0.300 1 326 38 38 PHE CB C 40.167 0.300 1 327 38 38 PHE CD1 C 131.941 0.300 1 328 38 38 PHE CD2 C 131.941 0.300 1 329 38 38 PHE CE1 C 131.760 0.300 1 330 38 38 PHE CE2 C 131.760 0.300 1 331 38 38 PHE CZ C 129.770 0.300 1 332 38 38 PHE N N 120.753 0.300 1 333 39 39 ALA HA H 4.368 0.030 1 334 39 39 ALA HB H 1.515 0.030 1 335 39 39 ALA C C 177.566 0.300 1 336 39 39 ALA CA C 54.102 0.300 1 337 39 39 ALA CB C 19.302 0.300 1 338 40 40 THR H H 7.727 0.030 1 339 40 40 THR HA H 4.441 0.030 1 340 40 40 THR HB H 4.536 0.030 1 341 40 40 THR HG2 H 1.239 0.030 1 342 40 40 THR C C 174.374 0.300 1 343 40 40 THR CA C 61.144 0.300 1 344 40 40 THR CB C 69.422 0.300 1 345 40 40 THR CG2 C 21.865 0.300 1 346 40 40 THR N N 106.452 0.300 1 347 41 41 GLU H H 7.887 0.030 1 348 41 41 GLU HA H 4.415 0.030 1 349 41 41 GLU HB2 H 2.155 0.030 2 350 41 41 GLU HB3 H 2.002 0.030 2 351 41 41 GLU HG2 H 2.337 0.030 1 352 41 41 GLU HG3 H 2.337 0.030 1 353 41 41 GLU C C 176.637 0.300 1 354 41 41 GLU CA C 56.448 0.300 1 355 41 41 GLU CB C 30.875 0.300 1 356 41 41 GLU CG C 36.560 0.300 1 357 41 41 GLU N N 120.908 0.300 1 358 42 42 THR H H 8.295 0.030 1 359 42 42 THR HA H 3.911 0.030 1 360 42 42 THR HB H 4.012 0.030 1 361 42 42 THR HG2 H 1.142 0.030 1 362 42 42 THR C C 174.661 0.300 1 363 42 42 THR CA C 63.024 0.300 1 364 42 42 THR CB C 69.477 0.300 1 365 42 42 THR CG2 C 22.147 0.300 1 366 42 42 THR N N 116.180 0.300 1 367 43 43 LEU H H 8.518 0.030 1 368 43 43 LEU HA H 4.314 0.030 1 369 43 43 LEU HB2 H 1.914 0.030 2 370 43 43 LEU HB3 H 1.662 0.030 2 371 43 43 LEU HD1 H 0.839 0.030 1 372 43 43 LEU HD2 H 0.975 0.030 1 373 43 43 LEU HG H 1.820 0.030 1 374 43 43 LEU C C 176.853 0.300 1 375 43 43 LEU CA C 55.764 0.300 1 376 43 43 LEU CB C 41.897 0.300 1 377 43 43 LEU CD1 C 25.685 0.300 2 378 43 43 LEU CD2 C 23.775 0.300 2 379 43 43 LEU CG C 27.383 0.300 1 380 43 43 LEU N N 126.343 0.300 1 381 44 44 SER H H 8.422 0.030 1 382 44 44 SER HA H 4.554 0.030 1 383 44 44 SER HB2 H 3.961 0.030 2 384 44 44 SER HB3 H 3.863 0.030 2 385 44 44 SER C C 173.363 0.300 1 386 44 44 SER CA C 58.249 0.300 1 387 44 44 SER CB C 63.940 0.300 1 388 44 44 SER N N 116.733 0.300 1 389 45 45 SER H H 7.880 0.030 1 390 45 45 SER HA H 4.815 0.030 1 391 45 45 SER HB2 H 3.857 0.030 1 392 45 45 SER HB3 H 3.857 0.030 1 393 45 45 SER C C 171.097 0.300 1 394 45 45 SER CA C 56.427 0.300 1 395 45 45 SER CB C 63.719 0.300 1 396 45 45 SER N N 116.363 0.300 1 397 46 46 PRO HA H 4.514 0.030 1 398 46 46 PRO HB2 H 2.257 0.030 2 399 46 46 PRO HB3 H 1.635 0.030 2 400 46 46 PRO HD2 H 3.807 0.030 2 401 46 46 PRO HD3 H 3.629 0.030 2 402 46 46 PRO HG2 H 1.971 0.030 2 403 46 46 PRO HG3 H 1.906 0.030 2 404 46 46 PRO CA C 61.801 0.300 1 405 46 46 PRO CB C 31.210 0.300 1 406 46 46 PRO CD C 50.482 0.300 1 407 46 46 PRO CG C 27.700 0.300 1 408 47 47 PRO HA H 4.728 0.030 1 409 47 47 PRO HB2 H 2.184 0.030 2 410 47 47 PRO HB3 H 1.768 0.030 2 411 47 47 PRO HD2 H 3.660 0.030 2 412 47 47 PRO HD3 H 4.251 0.030 2 413 47 47 PRO HG2 H 1.970 0.030 2 414 47 47 PRO HG3 H 1.798 0.030 2 415 47 47 PRO C C 174.268 0.300 1 416 47 47 PRO CA C 62.346 0.300 1 417 47 47 PRO CB C 33.212 0.300 1 418 47 47 PRO CD C 49.678 0.300 1 419 47 47 PRO CG C 27.060 0.300 1 420 48 48 LEU H H 8.444 0.030 1 421 48 48 LEU HA H 5.301 0.030 1 422 48 48 LEU HB2 H 1.560 0.030 2 423 48 48 LEU HB3 H 1.282 0.030 2 424 48 48 LEU HD1 H 0.888 0.030 1 425 48 48 LEU HD2 H 0.833 0.030 1 426 48 48 LEU HG H 1.737 0.030 1 427 48 48 LEU C C 178.437 0.300 1 428 48 48 LEU CA C 52.659 0.300 1 429 48 48 LEU CB C 45.196 0.300 1 430 48 48 LEU CD1 C 25.463 0.300 2 431 48 48 LEU CD2 C 24.941 0.300 2 432 48 48 LEU CG C 27.404 0.300 1 433 48 48 LEU N N 117.436 0.300 1 434 49 49 VAL H H 8.965 0.030 1 435 49 49 VAL HA H 4.137 0.030 1 436 49 49 VAL HB H 2.337 0.030 1 437 49 49 VAL HG1 H 0.783 0.030 1 438 49 49 VAL HG2 H 0.849 0.030 1 439 49 49 VAL C C 176.627 0.300 1 440 49 49 VAL CA C 63.602 0.300 1 441 49 49 VAL CB C 31.613 0.300 1 442 49 49 VAL CG1 C 22.439 0.300 2 443 49 49 VAL CG2 C 21.751 0.300 2 444 49 49 VAL N N 120.737 0.300 1 445 50 50 CYS H H 9.320 0.030 1 446 50 50 CYS HA H 5.106 0.030 1 447 50 50 CYS HB2 H 3.308 0.030 2 448 50 50 CYS HB3 H 2.514 0.030 2 449 50 50 CYS C C 173.356 0.300 1 450 50 50 CYS CA C 57.042 0.300 1 451 50 50 CYS CB C 30.223 0.300 1 452 50 50 CYS N N 126.838 0.300 1 453 51 51 PHE H H 7.598 0.030 1 454 51 51 PHE HA H 4.414 0.030 1 455 51 51 PHE HB2 H 3.337 0.030 2 456 51 51 PHE HB3 H 2.562 0.030 2 457 51 51 PHE HD1 H 7.137 0.030 1 458 51 51 PHE HD2 H 7.137 0.030 1 459 51 51 PHE HE1 H 7.362 0.030 1 460 51 51 PHE HE2 H 7.362 0.030 1 461 51 51 PHE HZ H 7.352 0.030 1 462 51 51 PHE C C 172.004 0.300 1 463 51 51 PHE CA C 59.224 0.300 1 464 51 51 PHE CB C 42.694 0.300 1 465 51 51 PHE CD1 C 131.584 0.300 1 466 51 51 PHE CD2 C 131.584 0.300 1 467 51 51 PHE CE1 C 131.535 0.300 1 468 51 51 PHE CE2 C 131.535 0.300 1 469 51 51 PHE CZ C 129.761 0.300 1 470 51 51 PHE N N 123.327 0.300 1 471 52 52 ILE H H 7.509 0.030 1 472 52 52 ILE HA H 4.449 0.030 1 473 52 52 ILE HB H 1.357 0.030 1 474 52 52 ILE HD1 H 0.522 0.030 1 475 52 52 ILE HG12 H 0.573 0.030 2 476 52 52 ILE HG13 H 1.208 0.030 2 477 52 52 ILE HG2 H 0.517 0.030 1 478 52 52 ILE C C 174.435 0.300 1 479 52 52 ILE CA C 59.192 0.300 1 480 52 52 ILE CB C 39.873 0.300 1 481 52 52 ILE CD1 C 13.640 0.300 1 482 52 52 ILE CG1 C 27.868 0.300 1 483 52 52 ILE CG2 C 17.090 0.300 1 484 52 52 ILE N N 126.540 0.300 1 485 53 53 GLU H H 9.059 0.030 1 486 53 53 GLU HA H 4.180 0.030 1 487 53 53 GLU HB2 H 1.993 0.030 2 488 53 53 GLU HB3 H 1.959 0.030 2 489 53 53 GLU HG2 H 2.470 0.030 2 490 53 53 GLU HG3 H 2.415 0.030 2 491 53 53 GLU C C 174.898 0.300 1 492 53 53 GLU CA C 54.165 0.300 1 493 53 53 GLU CB C 30.271 0.300 1 494 53 53 GLU CG C 35.551 0.300 1 495 53 53 GLU N N 128.941 0.300 1 496 54 54 PRO HA H 4.388 0.030 1 497 54 54 PRO HB2 H 2.346 0.030 2 498 54 54 PRO HB3 H 1.879 0.030 2 499 54 54 PRO HD2 H 3.803 0.030 2 500 54 54 PRO HD3 H 3.911 0.030 2 501 54 54 PRO HG2 H 2.177 0.030 2 502 54 54 PRO HG3 H 2.033 0.030 2 503 54 54 PRO C C 176.908 0.300 1 504 54 54 PRO CA C 63.704 0.300 1 505 54 54 PRO CB C 31.902 0.300 1 506 54 54 PRO CD C 51.117 0.300 1 507 54 54 PRO CG C 27.800 0.300 1 508 55 55 ASP H H 9.379 0.030 1 509 55 55 ASP HA H 4.283 0.030 1 510 55 55 ASP HB2 H 2.987 0.030 2 511 55 55 ASP HB3 H 2.703 0.030 2 512 55 55 ASP C C 173.906 0.300 1 513 55 55 ASP CA C 55.854 0.300 1 514 55 55 ASP CB C 39.968 0.300 1 515 55 55 ASP N N 119.427 0.300 1 516 56 56 SER H H 7.420 0.030 1 517 56 56 SER HA H 4.840 0.030 1 518 56 56 SER HB2 H 4.237 0.030 2 519 56 56 SER HB3 H 3.681 0.030 2 520 56 56 SER C C 173.686 0.300 1 521 56 56 SER CA C 56.913 0.300 1 522 56 56 SER CB C 64.534 0.300 1 523 56 56 SER N N 113.141 0.300 1 524 57 57 PRO HA H 4.304 0.030 1 525 57 57 PRO HB2 H 2.834 0.030 2 526 57 57 PRO HB3 H 2.236 0.030 2 527 57 57 PRO HD2 H 3.963 0.030 2 528 57 57 PRO HD3 H 3.692 0.030 2 529 57 57 PRO HG2 H 2.574 0.030 2 530 57 57 PRO HG3 H 2.230 0.030 2 531 57 57 PRO C C 179.292 0.300 1 532 57 57 PRO CA C 66.108 0.300 1 533 57 57 PRO CB C 32.684 0.300 1 534 57 57 PRO CD C 50.561 0.300 1 535 57 57 PRO CG C 29.357 0.300 1 536 58 58 ALA H H 8.077 0.030 1 537 58 58 ALA HA H 4.031 0.030 1 538 58 58 ALA HB H 1.310 0.030 1 539 58 58 ALA C C 178.100 0.300 1 540 58 58 ALA CA C 55.043 0.300 1 541 58 58 ALA CB C 18.930 0.300 1 542 58 58 ALA N N 116.778 0.300 1 543 59 59 GLU H H 7.704 0.030 1 544 59 59 GLU HA H 3.873 0.030 1 545 59 59 GLU HB2 H 2.222 0.030 2 546 59 59 GLU HB3 H 2.074 0.030 2 547 59 59 GLU HG2 H 2.185 0.030 1 548 59 59 GLU HG3 H 2.185 0.030 1 549 59 59 GLU C C 178.709 0.300 1 550 59 59 GLU CA C 59.575 0.300 1 551 59 59 GLU CB C 30.465 0.300 1 552 59 59 GLU CG C 37.749 0.300 1 553 59 59 GLU N N 120.212 0.300 1 554 60 60 ARG H H 8.620 0.030 1 555 60 60 ARG HA H 4.029 0.030 1 556 60 60 ARG HB2 H 1.889 0.030 2 557 60 60 ARG HB3 H 1.795 0.030 2 558 60 60 ARG HD2 H 3.047 0.030 2 559 60 60 ARG HD3 H 3.203 0.030 2 560 60 60 ARG HE H 7.102 0.030 1 561 60 60 ARG HG2 H 1.763 0.030 2 562 60 60 ARG HG3 H 1.675 0.030 2 563 60 60 ARG C C 178.633 0.300 1 564 60 60 ARG CA C 58.722 0.300 1 565 60 60 ARG CB C 31.002 0.300 1 566 60 60 ARG CD C 43.598 0.300 1 567 60 60 ARG CG C 28.574 0.300 1 568 60 60 ARG N N 116.618 0.300 1 569 60 60 ARG NE N 84.629 0.300 1 570 61 61 CYS H H 7.586 0.030 1 571 61 61 CYS HA H 4.572 0.030 1 572 61 61 CYS HB2 H 3.152 0.030 2 573 61 61 CYS HB3 H 3.042 0.030 2 574 61 61 CYS C C 175.537 0.300 1 575 61 61 CYS CA C 59.464 0.300 1 576 61 61 CYS CB C 27.609 0.300 1 577 61 61 CYS N N 112.628 0.300 1 578 62 62 GLY H H 7.368 0.030 1 579 62 62 GLY HA2 H 4.052 0.030 2 580 62 62 GLY HA3 H 3.986 0.030 2 581 62 62 GLY C C 174.254 0.300 1 582 62 62 GLY CA C 46.976 0.300 1 583 62 62 GLY N N 109.816 0.300 1 584 63 63 LEU H H 7.713 0.030 1 585 63 63 LEU HA H 4.399 0.030 1 586 63 63 LEU HB2 H 1.633 0.030 2 587 63 63 LEU HB3 H 1.504 0.030 2 588 63 63 LEU HD1 H 0.961 0.030 1 589 63 63 LEU HD2 H 0.826 0.030 1 590 63 63 LEU HG H 1.625 0.030 1 591 63 63 LEU C C 175.373 0.300 1 592 63 63 LEU CA C 54.854 0.300 1 593 63 63 LEU CB C 45.217 0.300 1 594 63 63 LEU CD1 C 26.325 0.300 2 595 63 63 LEU CD2 C 22.567 0.300 2 596 63 63 LEU CG C 26.505 0.300 1 597 63 63 LEU N N 119.735 0.300 1 598 64 64 LEU H H 7.893 0.030 1 599 64 64 LEU HA H 4.906 0.030 1 600 64 64 LEU HB2 H 1.535 0.030 2 601 64 64 LEU HB3 H 1.113 0.030 2 602 64 64 LEU HD1 H 0.807 0.030 1 603 64 64 LEU HD2 H 0.859 0.030 1 604 64 64 LEU HG H 1.481 0.030 1 605 64 64 LEU C C 175.369 0.300 1 606 64 64 LEU CA C 53.283 0.300 1 607 64 64 LEU CB C 46.797 0.300 1 608 64 64 LEU CD1 C 26.869 0.300 2 609 64 64 LEU CD2 C 25.201 0.300 2 610 64 64 LEU CG C 26.907 0.300 1 611 64 64 LEU N N 117.867 0.300 1 612 65 65 GLN H H 9.152 0.030 1 613 65 65 GLN HA H 4.430 0.030 1 614 65 65 GLN HB2 H 1.969 0.030 2 615 65 65 GLN HB3 H 1.915 0.030 2 616 65 65 GLN HE21 H 7.902 0.030 2 617 65 65 GLN HE22 H 6.653 0.030 2 618 65 65 GLN HG2 H 2.299 0.030 2 619 65 65 GLN HG3 H 2.252 0.030 2 620 65 65 GLN C C 175.069 0.300 1 621 65 65 GLN CA C 53.660 0.300 1 622 65 65 GLN CB C 32.436 0.300 1 623 65 65 GLN CG C 33.442 0.300 1 624 65 65 GLN N N 121.339 0.300 1 625 65 65 GLN NE2 N 113.084 0.300 1 626 66 66 VAL H H 8.483 0.030 1 627 66 66 VAL HA H 3.394 0.030 1 628 66 66 VAL HB H 1.887 0.030 1 629 66 66 VAL HG1 H 0.948 0.030 1 630 66 66 VAL HG2 H 0.848 0.030 1 631 66 66 VAL C C 177.430 0.300 1 632 66 66 VAL CA C 65.229 0.300 1 633 66 66 VAL CB C 31.267 0.300 1 634 66 66 VAL CG1 C 21.100 0.300 2 635 66 66 VAL CG2 C 22.489 0.300 2 636 66 66 VAL N N 121.452 0.300 1 637 67 67 GLY H H 9.191 0.030 1 638 67 67 GLY HA2 H 4.641 0.030 2 639 67 67 GLY HA3 H 3.530 0.030 2 640 67 67 GLY C C 174.327 0.300 1 641 67 67 GLY CA C 44.643 0.300 1 642 67 67 GLY N N 116.398 0.300 1 643 68 68 ASP H H 7.978 0.030 1 644 68 68 ASP HA H 4.740 0.030 1 645 68 68 ASP HB2 H 2.647 0.030 2 646 68 68 ASP HB3 H 2.570 0.030 2 647 68 68 ASP C C 175.467 0.300 1 648 68 68 ASP CA C 56.166 0.300 1 649 68 68 ASP CB C 40.810 0.300 1 650 68 68 ASP N N 122.692 0.300 1 651 69 69 ARG H H 8.828 0.030 1 652 69 69 ARG HA H 4.986 0.030 1 653 69 69 ARG HB2 H 2.060 0.030 2 654 69 69 ARG HB3 H 1.436 0.030 2 655 69 69 ARG HD2 H 3.150 0.030 2 656 69 69 ARG HD3 H 3.429 0.030 2 657 69 69 ARG HE H 7.234 0.030 1 658 69 69 ARG HG2 H 1.750 0.030 2 659 69 69 ARG HG3 H 1.720 0.030 2 660 69 69 ARG C C 176.230 0.300 1 661 69 69 ARG CA C 56.023 0.300 1 662 69 69 ARG CB C 31.406 0.300 1 663 69 69 ARG CD C 42.593 0.300 1 664 69 69 ARG CG C 28.840 0.300 1 665 69 69 ARG N N 119.638 0.300 1 666 69 69 ARG NE N 83.488 0.300 1 667 70 70 VAL H H 8.382 0.030 1 668 70 70 VAL HA H 4.362 0.030 1 669 70 70 VAL HB H 1.825 0.030 1 670 70 70 VAL HG1 H 0.772 0.030 1 671 70 70 VAL HG2 H 0.761 0.030 1 672 70 70 VAL C C 174.655 0.300 1 673 70 70 VAL CA C 62.182 0.300 1 674 70 70 VAL CB C 32.207 0.300 1 675 70 70 VAL CG1 C 22.650 0.300 2 676 70 70 VAL CG2 C 21.640 0.300 2 677 70 70 VAL N N 120.537 0.300 1 678 71 71 LEU H H 9.095 0.030 1 679 71 71 LEU HA H 4.129 0.030 1 680 71 71 LEU HB2 H 1.611 0.030 2 681 71 71 LEU HB3 H 1.508 0.030 2 682 71 71 LEU HD1 H 0.809 0.030 1 683 71 71 LEU HD2 H 0.730 0.030 1 684 71 71 LEU HG H 1.556 0.030 1 685 71 71 LEU C C 178.394 0.300 1 686 71 71 LEU CA C 56.597 0.300 1 687 71 71 LEU CB C 42.589 0.300 1 688 71 71 LEU CD1 C 25.697 0.300 2 689 71 71 LEU CD2 C 22.876 0.300 2 690 71 71 LEU CG C 27.844 0.300 1 691 71 71 LEU N N 128.411 0.300 1 692 72 72 SER H H 7.691 0.030 1 693 72 72 SER HA H 5.178 0.030 1 694 72 72 SER HB2 H 3.821 0.030 2 695 72 72 SER HB3 H 3.328 0.030 2 696 72 72 SER C C 172.253 0.300 1 697 72 72 SER CA C 57.735 0.300 1 698 72 72 SER CB C 65.030 0.300 1 699 72 72 SER N N 111.132 0.300 1 700 73 73 ILE H H 8.534 0.030 1 701 73 73 ILE HA H 4.235 0.030 1 702 73 73 ILE HB H 1.670 0.030 1 703 73 73 ILE HD1 H 0.751 0.030 1 704 73 73 ILE HG12 H 1.245 0.030 2 705 73 73 ILE HG13 H 0.592 0.030 2 706 73 73 ILE HG2 H 0.554 0.030 1 707 73 73 ILE C C 174.743 0.300 1 708 73 73 ILE CA C 60.779 0.300 1 709 73 73 ILE CB C 40.381 0.300 1 710 73 73 ILE CD1 C 14.581 0.300 1 711 73 73 ILE CG1 C 27.368 0.300 1 712 73 73 ILE CG2 C 17.497 0.300 1 713 73 73 ILE N N 120.612 0.300 1 714 74 74 ASN H H 9.765 0.030 1 715 74 74 ASN HA H 4.430 0.030 1 716 74 74 ASN HB2 H 3.235 0.030 2 717 74 74 ASN HB3 H 2.918 0.030 2 718 74 74 ASN HD21 H 7.978 0.030 2 719 74 74 ASN HD22 H 6.760 0.030 2 720 74 74 ASN C C 175.177 0.300 1 721 74 74 ASN CA C 53.688 0.300 1 722 74 74 ASN CB C 36.638 0.300 1 723 74 74 ASN N N 125.750 0.300 1 724 74 74 ASN ND2 N 111.846 0.300 1 725 75 75 GLY H H 8.968 0.030 1 726 75 75 GLY HA2 H 4.092 0.030 2 727 75 75 GLY HA3 H 3.513 0.030 2 728 75 75 GLY C C 173.637 0.300 1 729 75 75 GLY CA C 45.165 0.300 1 730 75 75 GLY N N 102.161 0.300 1 731 76 76 ILE H H 7.901 0.030 1 732 76 76 ILE HA H 4.146 0.030 1 733 76 76 ILE HB H 2.207 0.030 1 734 76 76 ILE HD1 H 0.851 0.030 1 735 76 76 ILE HG12 H 1.258 0.030 2 736 76 76 ILE HG13 H 1.472 0.030 2 737 76 76 ILE HG2 H 0.896 0.030 1 738 76 76 ILE C C 175.589 0.300 1 739 76 76 ILE CA C 59.615 0.300 1 740 76 76 ILE CB C 36.657 0.300 1 741 76 76 ILE CD1 C 11.456 0.300 1 742 76 76 ILE CG1 C 27.006 0.300 1 743 76 76 ILE CG2 C 17.457 0.300 1 744 76 76 ILE N N 123.892 0.300 1 745 77 77 ALA H H 8.729 0.030 1 746 77 77 ALA HA H 4.474 0.030 1 747 77 77 ALA HB H 1.496 0.030 1 748 77 77 ALA C C 179.169 0.300 1 749 77 77 ALA CA C 52.566 0.300 1 750 77 77 ALA CB C 18.605 0.300 1 751 77 77 ALA N N 131.319 0.300 1 752 78 78 THR H H 8.254 0.030 1 753 78 78 THR HA H 3.984 0.030 1 754 78 78 THR HB H 3.957 0.030 1 755 78 78 THR HG2 H 1.022 0.030 1 756 78 78 THR C C 177.537 0.300 1 757 78 78 THR CA C 62.707 0.300 1 758 78 78 THR CB C 68.269 0.300 1 759 78 78 THR CG2 C 22.892 0.300 1 760 78 78 THR N N 114.468 0.300 1 761 79 79 GLU H H 8.382 0.030 1 762 79 79 GLU HA H 4.085 0.030 1 763 79 79 GLU HB2 H 2.101 0.030 2 764 79 79 GLU HB3 H 1.857 0.030 2 765 79 79 GLU HG2 H 2.015 0.030 2 766 79 79 GLU HG3 H 1.902 0.030 2 767 79 79 GLU C C 175.272 0.300 1 768 79 79 GLU CA C 58.141 0.300 1 769 79 79 GLU CB C 29.942 0.300 1 770 79 79 GLU CG C 37.363 0.300 1 771 79 79 GLU N N 119.955 0.300 1 772 80 80 ASP H H 7.589 0.030 1 773 80 80 ASP HA H 4.634 0.030 1 774 80 80 ASP HB2 H 2.887 0.030 2 775 80 80 ASP HB3 H 2.754 0.030 2 776 80 80 ASP C C 175.761 0.300 1 777 80 80 ASP CA C 55.096 0.300 1 778 80 80 ASP CB C 40.733 0.300 1 779 80 80 ASP N N 117.025 0.300 1 780 81 81 GLY H H 7.468 0.030 1 781 81 81 GLY HA2 H 4.712 0.030 2 782 81 81 GLY HA3 H 3.931 0.030 2 783 81 81 GLY C C 173.176 0.300 1 784 81 81 GLY CA C 45.079 0.300 1 785 81 81 GLY N N 108.119 0.300 1 786 82 82 THR H H 8.569 0.030 1 787 82 82 THR HA H 4.850 0.030 1 788 82 82 THR HB H 4.778 0.030 1 789 82 82 THR HG2 H 1.155 0.030 1 790 82 82 THR C C 177.375 0.300 1 791 82 82 THR CA C 60.156 0.300 1 792 82 82 THR CB C 71.927 0.300 1 793 82 82 THR CG2 C 21.685 0.300 1 794 82 82 THR N N 109.498 0.300 1 795 83 83 MET H H 9.310 0.030 1 796 83 83 MET HA H 4.589 0.030 1 797 83 83 MET HB2 H 2.265 0.030 2 798 83 83 MET HB3 H 2.157 0.030 2 799 83 83 MET HE H 2.032 0.030 1 800 83 83 MET HG2 H 2.873 0.030 2 801 83 83 MET HG3 H 2.581 0.030 2 802 83 83 MET C C 178.304 0.300 1 803 83 83 MET CA C 57.303 0.300 1 804 83 83 MET CB C 32.243 0.300 1 805 83 83 MET CE C 18.349 0.300 1 806 83 83 MET CG C 32.174 0.300 1 807 83 83 MET N N 122.655 0.300 1 808 84 84 GLU H H 8.564 0.030 1 809 84 84 GLU HA H 4.216 0.030 1 810 84 84 GLU HB2 H 2.066 0.030 2 811 84 84 GLU HB3 H 1.968 0.030 2 812 84 84 GLU HG2 H 2.334 0.030 1 813 84 84 GLU HG3 H 2.334 0.030 1 814 84 84 GLU C C 179.728 0.300 1 815 84 84 GLU CA C 59.614 0.300 1 816 84 84 GLU CB C 29.268 0.300 1 817 84 84 GLU CG C 36.336 0.300 1 818 84 84 GLU N N 119.761 0.300 1 819 85 85 GLU H H 7.878 0.030 1 820 85 85 GLU HA H 4.011 0.030 1 821 85 85 GLU HB2 H 2.261 0.030 2 822 85 85 GLU HB3 H 1.994 0.030 2 823 85 85 GLU HG2 H 2.361 0.030 2 824 85 85 GLU HG3 H 2.330 0.030 2 825 85 85 GLU C C 179.105 0.300 1 826 85 85 GLU CA C 59.425 0.300 1 827 85 85 GLU CB C 29.359 0.300 1 828 85 85 GLU CG C 37.746 0.300 1 829 85 85 GLU N N 119.659 0.300 1 830 86 86 ALA H H 7.893 0.030 1 831 86 86 ALA HA H 4.021 0.030 1 832 86 86 ALA HB H 1.454 0.030 1 833 86 86 ALA C C 178.959 0.300 1 834 86 86 ALA CA C 55.639 0.300 1 835 86 86 ALA CB C 16.894 0.300 1 836 86 86 ALA N N 123.026 0.300 1 837 87 87 ASN H H 8.431 0.030 1 838 87 87 ASN HA H 4.571 0.030 1 839 87 87 ASN HB2 H 2.900 0.030 2 840 87 87 ASN HB3 H 2.691 0.030 2 841 87 87 ASN HD21 H 7.394 0.030 2 842 87 87 ASN HD22 H 7.160 0.030 2 843 87 87 ASN C C 179.069 0.300 1 844 87 87 ASN CA C 55.997 0.300 1 845 87 87 ASN CB C 38.115 0.300 1 846 87 87 ASN N N 114.771 0.300 1 847 87 87 ASN ND2 N 111.583 0.300 1 848 88 88 GLN H H 8.386 0.030 1 849 88 88 GLN HA H 3.961 0.030 1 850 88 88 GLN HB2 H 2.290 0.030 2 851 88 88 GLN HB3 H 2.218 0.030 2 852 88 88 GLN HE21 H 6.945 0.030 2 853 88 88 GLN HE22 H 7.933 0.030 2 854 88 88 GLN HG2 H 2.461 0.030 1 855 88 88 GLN HG3 H 2.461 0.030 1 856 88 88 GLN C C 177.729 0.300 1 857 88 88 GLN CA C 58.817 0.300 1 858 88 88 GLN CB C 27.898 0.300 1 859 88 88 GLN CG C 33.439 0.300 1 860 88 88 GLN N N 122.388 0.300 1 861 88 88 GLN NE2 N 115.856 0.300 1 862 89 89 LEU H H 8.142 0.030 1 863 89 89 LEU HA H 4.218 0.030 1 864 89 89 LEU HB2 H 2.192 0.030 2 865 89 89 LEU HB3 H 1.284 0.030 2 866 89 89 LEU HD1 H 0.920 0.030 1 867 89 89 LEU HD2 H 0.965 0.030 1 868 89 89 LEU HG H 1.940 0.030 1 869 89 89 LEU C C 181.018 0.300 1 870 89 89 LEU CA C 58.291 0.300 1 871 89 89 LEU CB C 42.373 0.300 1 872 89 89 LEU CD1 C 25.920 0.300 2 873 89 89 LEU CD2 C 23.255 0.300 2 874 89 89 LEU CG C 26.946 0.300 1 875 89 89 LEU N N 120.433 0.300 1 876 90 90 LEU H H 7.730 0.030 1 877 90 90 LEU HA H 4.110 0.030 1 878 90 90 LEU HB2 H 2.032 0.030 2 879 90 90 LEU HB3 H 1.841 0.030 2 880 90 90 LEU HD1 H 0.948 0.030 1 881 90 90 LEU HD2 H 0.853 0.030 1 882 90 90 LEU HG H 1.917 0.030 1 883 90 90 LEU C C 179.400 0.300 1 884 90 90 LEU CA C 58.224 0.300 1 885 90 90 LEU CB C 42.205 0.300 1 886 90 90 LEU CD1 C 25.284 0.300 2 887 90 90 LEU CD2 C 24.235 0.300 2 888 90 90 LEU CG C 27.163 0.300 1 889 90 90 LEU N N 118.938 0.300 1 890 91 91 ARG H H 8.091 0.030 1 891 91 91 ARG HA H 4.116 0.030 1 892 91 91 ARG HB2 H 2.060 0.030 2 893 91 91 ARG HB3 H 2.002 0.030 2 894 91 91 ARG HD2 H 3.307 0.030 2 895 91 91 ARG HD3 H 3.199 0.030 2 896 91 91 ARG HG2 H 1.631 0.030 2 897 91 91 ARG HG3 H 1.899 0.030 2 898 91 91 ARG C C 179.582 0.300 1 899 91 91 ARG CA C 59.926 0.300 1 900 91 91 ARG CB C 30.250 0.300 1 901 91 91 ARG CD C 43.635 0.300 1 902 91 91 ARG CG C 27.920 0.300 1 903 91 91 ARG N N 121.808 0.300 1 904 92 92 ASP H H 8.910 0.030 1 905 92 92 ASP HA H 4.468 0.030 1 906 92 92 ASP HB2 H 2.827 0.030 2 907 92 92 ASP HB3 H 2.685 0.030 2 908 92 92 ASP C C 179.806 0.300 1 909 92 92 ASP CA C 57.286 0.300 1 910 92 92 ASP CB C 40.027 0.300 1 911 92 92 ASP N N 121.042 0.300 1 912 93 93 ALA H H 8.329 0.030 1 913 93 93 ALA HA H 4.302 0.030 1 914 93 93 ALA HB H 1.749 0.030 1 915 93 93 ALA C C 179.218 0.300 1 916 93 93 ALA CA C 54.867 0.300 1 917 93 93 ALA CB C 18.134 0.300 1 918 93 93 ALA N N 123.624 0.300 1 919 94 94 ALA H H 7.827 0.030 1 920 94 94 ALA HA H 3.625 0.030 1 921 94 94 ALA HB H 1.205 0.030 1 922 94 94 ALA C C 180.260 0.300 1 923 94 94 ALA CA C 55.226 0.300 1 924 94 94 ALA CB C 17.214 0.300 1 925 94 94 ALA N N 119.928 0.300 1 926 95 95 LEU H H 7.420 0.030 1 927 95 95 LEU HA H 3.987 0.030 1 928 95 95 LEU HB2 H 1.987 0.030 2 929 95 95 LEU HB3 H 1.612 0.030 2 930 95 95 LEU HD1 H 1.017 0.030 1 931 95 95 LEU HD2 H 0.925 0.030 1 932 95 95 LEU HG H 1.875 0.030 1 933 95 95 LEU C C 177.860 0.300 1 934 95 95 LEU CA C 57.475 0.300 1 935 95 95 LEU CB C 41.560 0.300 1 936 95 95 LEU CD1 C 25.314 0.300 2 937 95 95 LEU CD2 C 23.184 0.300 2 938 95 95 LEU CG C 27.164 0.300 1 939 95 95 LEU N N 117.051 0.300 1 940 96 96 ALA H H 7.421 0.030 1 941 96 96 ALA HA H 4.457 0.030 1 942 96 96 ALA HB H 1.635 0.030 1 943 96 96 ALA C C 177.201 0.300 1 944 96 96 ALA CA C 51.889 0.300 1 945 96 96 ALA CB C 19.318 0.300 1 946 96 96 ALA N N 119.852 0.300 1 947 97 97 HIS H H 7.759 0.030 1 948 97 97 HIS HA H 4.285 0.030 1 949 97 97 HIS HB2 H 3.690 0.030 1 950 97 97 HIS HB3 H 3.690 0.030 1 951 97 97 HIS HD2 H 7.181 0.030 1 952 97 97 HIS HE1 H 8.112 0.030 1 953 97 97 HIS C C 174.687 0.300 1 954 97 97 HIS CA C 57.547 0.300 1 955 97 97 HIS CB C 27.418 0.300 1 956 97 97 HIS CD2 C 120.694 0.300 1 957 97 97 HIS CE1 C 137.184 0.300 1 958 97 97 HIS N N 111.015 0.300 1 959 98 98 LYS H H 7.867 0.030 1 960 98 98 LYS HA H 5.523 0.030 1 961 98 98 LYS HB2 H 1.862 0.030 2 962 98 98 LYS HB3 H 1.692 0.030 2 963 98 98 LYS HD2 H 1.599 0.030 1 964 98 98 LYS HD3 H 1.599 0.030 1 965 98 98 LYS HE2 H 2.856 0.030 2 966 98 98 LYS HE3 H 2.831 0.030 2 967 98 98 LYS HG2 H 1.365 0.030 2 968 98 98 LYS HG3 H 1.229 0.030 2 969 98 98 LYS C C 173.204 0.300 1 970 98 98 LYS CA C 56.372 0.300 1 971 98 98 LYS CB C 36.017 0.300 1 972 98 98 LYS CD C 29.517 0.300 1 973 98 98 LYS CE C 42.088 0.300 1 974 98 98 LYS CG C 24.522 0.300 1 975 98 98 LYS N N 119.750 0.300 1 976 99 99 VAL H H 8.801 0.030 1 977 99 99 VAL HA H 4.642 0.030 1 978 99 99 VAL HB H 1.418 0.030 1 979 99 99 VAL HG1 H 0.597 0.030 1 980 99 99 VAL HG2 H -0.261 0.030 1 981 99 99 VAL C C 170.567 0.300 1 982 99 99 VAL CA C 59.547 0.300 1 983 99 99 VAL CB C 35.324 0.300 1 984 99 99 VAL CG1 C 23.095 0.300 2 985 99 99 VAL CG2 C 17.600 0.300 2 986 99 99 VAL N N 123.083 0.300 1 987 100 100 VAL H H 7.922 0.030 1 988 100 100 VAL HA H 4.634 0.030 1 989 100 100 VAL HB H 1.978 0.030 1 990 100 100 VAL HG1 H 0.774 0.030 1 991 100 100 VAL HG2 H 0.911 0.030 1 992 100 100 VAL C C 176.133 0.300 1 993 100 100 VAL CA C 61.038 0.300 1 994 100 100 VAL CB C 33.123 0.300 1 995 100 100 VAL CG1 C 21.108 0.300 2 996 100 100 VAL CG2 C 20.830 0.300 2 997 100 100 VAL N N 124.945 0.300 1 998 101 101 LEU H H 9.571 0.030 1 999 101 101 LEU HA H 5.132 0.030 1 1000 101 101 LEU HB2 H 1.807 0.030 2 1001 101 101 LEU HB3 H 1.194 0.030 2 1002 101 101 LEU HD1 H 0.569 0.030 1 1003 101 101 LEU HD2 H 0.697 0.030 1 1004 101 101 LEU HG H 1.484 0.030 1 1005 101 101 LEU C C 175.761 0.300 1 1006 101 101 LEU CA C 52.733 0.300 1 1007 101 101 LEU CB C 44.951 0.300 1 1008 101 101 LEU CD1 C 26.302 0.300 2 1009 101 101 LEU CD2 C 24.861 0.300 2 1010 101 101 LEU CG C 26.460 0.300 1 1011 101 101 LEU N N 129.968 0.300 1 1012 102 102 GLU H H 7.783 0.030 1 1013 102 102 GLU HA H 5.043 0.030 1 1014 102 102 GLU HB2 H 1.974 0.030 2 1015 102 102 GLU HB3 H 1.890 0.030 2 1016 102 102 GLU HG2 H 2.145 0.030 2 1017 102 102 GLU HG3 H 1.928 0.030 2 1018 102 102 GLU C C 175.601 0.300 1 1019 102 102 GLU CA C 56.004 0.300 1 1020 102 102 GLU CB C 31.611 0.300 1 1021 102 102 GLU CG C 36.670 0.300 1 1022 102 102 GLU N N 121.939 0.300 1 1023 103 103 VAL H H 8.990 0.030 1 1024 103 103 VAL HA H 5.205 0.030 1 1025 103 103 VAL HB H 1.920 0.030 1 1026 103 103 VAL HG1 H 0.838 0.030 1 1027 103 103 VAL HG2 H 0.766 0.030 1 1028 103 103 VAL C C 173.897 0.300 1 1029 103 103 VAL CA C 59.890 0.300 1 1030 103 103 VAL CB C 35.623 0.300 1 1031 103 103 VAL CG1 C 21.681 0.300 2 1032 103 103 VAL CG2 C 21.105 0.300 2 1033 103 103 VAL N N 124.246 0.300 1 1034 104 104 GLU H H 8.904 0.030 1 1035 104 104 GLU HA H 4.964 0.030 1 1036 104 104 GLU HB2 H 2.015 0.030 2 1037 104 104 GLU HB3 H 1.836 0.030 2 1038 104 104 GLU HG2 H 2.161 0.030 2 1039 104 104 GLU HG3 H 2.043 0.030 2 1040 104 104 GLU C C 174.365 0.300 1 1041 104 104 GLU CA C 54.592 0.300 1 1042 104 104 GLU CB C 33.660 0.300 1 1043 104 104 GLU CG C 37.309 0.300 1 1044 104 104 GLU N N 125.127 0.300 1 1045 105 105 PHE H H 8.501 0.030 1 1046 105 105 PHE HA H 5.001 0.030 1 1047 105 105 PHE HB2 H 2.985 0.030 1 1048 105 105 PHE HB3 H 2.985 0.030 1 1049 105 105 PHE HD1 H 7.088 0.030 1 1050 105 105 PHE HD2 H 7.088 0.030 1 1051 105 105 PHE HE1 H 7.163 0.030 1 1052 105 105 PHE HE2 H 7.163 0.030 1 1053 105 105 PHE HZ H 7.130 0.030 1 1054 105 105 PHE C C 174.662 0.300 1 1055 105 105 PHE CA C 55.420 0.300 1 1056 105 105 PHE CB C 41.522 0.300 1 1057 105 105 PHE CD1 C 132.370 0.300 1 1058 105 105 PHE CD2 C 132.370 0.300 1 1059 105 105 PHE CE1 C 130.898 0.300 1 1060 105 105 PHE CE2 C 130.898 0.300 1 1061 105 105 PHE CZ C 129.540 0.300 1 1062 105 105 PHE N N 124.374 0.300 1 1063 106 106 ASP H H 8.904 0.030 1 1064 106 106 ASP HA H 4.724 0.030 1 1065 106 106 ASP HB2 H 2.689 0.030 2 1066 106 106 ASP HB3 H 2.607 0.030 2 1067 106 106 ASP C C 176.202 0.300 1 1068 106 106 ASP CA C 54.337 0.300 1 1069 106 106 ASP CB C 41.301 0.300 1 1070 106 106 ASP N N 122.384 0.300 1 1071 107 107 SER H H 8.479 0.030 1 1072 107 107 SER HA H 4.519 0.030 1 1073 107 107 SER HB2 H 3.814 0.030 2 1074 107 107 SER HB3 H 3.699 0.030 2 1075 107 107 SER C C 174.753 0.300 1 1076 107 107 SER CA C 58.127 0.300 1 1077 107 107 SER CB C 64.206 0.300 1 1078 107 107 SER N N 118.289 0.300 1 1079 108 108 GLY H H 8.372 0.030 1 1080 108 108 GLY HA2 H 4.173 0.030 2 1081 108 108 GLY HA3 H 4.109 0.030 2 1082 108 108 GLY C C 171.806 0.300 1 1083 108 108 GLY CA C 44.793 0.300 1 1084 108 108 GLY N N 110.952 0.300 1 1085 109 109 PRO HA H 4.469 0.030 1 1086 109 109 PRO HB2 H 2.271 0.030 2 1087 109 109 PRO HB3 H 1.966 0.030 2 1088 109 109 PRO HD2 H 3.622 0.030 1 1089 109 109 PRO HD3 H 3.622 0.030 1 1090 109 109 PRO HG2 H 2.008 0.030 1 1091 109 109 PRO HG3 H 2.008 0.030 1 1092 109 109 PRO CA C 63.202 0.300 1 1093 109 109 PRO CB C 32.244 0.300 1 1094 109 109 PRO CD C 49.907 0.300 1 1095 109 109 PRO CG C 27.172 0.300 1 1096 110 110 SER HA H 4.780 0.030 1 1097 110 110 SER HB2 H 3.871 0.030 2 1098 110 110 SER HB3 H 3.767 0.030 2 1099 110 110 SER CA C 56.497 0.300 1 1100 110 110 SER CB C 63.351 0.300 1 1101 111 111 SER HA H 4.498 0.030 1 1102 111 111 SER HB2 H 3.893 0.030 1 1103 111 111 SER HB3 H 3.893 0.030 1 1104 111 111 SER C C 173.964 0.300 1 1105 111 111 SER CA C 58.350 0.300 1 1106 111 111 SER CB C 64.129 0.300 1 1107 112 112 GLY H H 8.050 0.030 1 1108 112 112 GLY HA2 H 3.768 0.030 1 1109 112 112 GLY HA3 H 3.768 0.030 1 1110 112 112 GLY C C 179.050 0.300 1 1111 112 112 GLY CA C 46.196 0.300 1 1112 112 112 GLY N N 116.890 0.300 1 stop_ save_