data_11350 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of LIM domain in Four and a half LIM domains protein 2 ; _BMRB_accession_number 11350 _BMRB_flat_file_name bmr11350.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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" 369 "13C chemical shifts" 273 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of LIM domain in Four and a half LIM domains 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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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 'Skeletal muscle LIM-protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LIM domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $ZN 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 'LIM domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; GSSGSSGCAGCTNPISGLGG TKYISFEERQWHNDCFNCKK CSLSLVGRGFLTERDDILCP DCGKDISGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 CYS 9 ALA 10 GLY 11 CYS 12 THR 13 ASN 14 PRO 15 ILE 16 SER 17 GLY 18 LEU 19 GLY 20 GLY 21 THR 22 LYS 23 TYR 24 ILE 25 SER 26 PHE 27 GLU 28 GLU 29 ARG 30 GLN 31 TRP 32 HIS 33 ASN 34 ASP 35 CYS 36 PHE 37 ASN 38 CYS 39 LYS 40 LYS 41 CYS 42 SER 43 LEU 44 SER 45 LEU 46 VAL 47 GLY 48 ARG 49 GLY 50 PHE 51 LEU 52 THR 53 GLU 54 ARG 55 ASP 56 ASP 57 ILE 58 LEU 59 CYS 60 PRO 61 ASP 62 CYS 63 GLY 64 LYS 65 ASP 66 ILE 67 SER 68 GLY 69 PRO 70 SER 71 SER 72 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 1X4L "Solution Structure Of Lim Domain In Four And A Half Lim Domains Protein 2" 100.00 72 100.00 100.00 4.80e-43 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 P040921-14 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.8mM U-15, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 100uM {ZnCl2;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 100 uM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . 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 0.863 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 Bruker _Model AVANCE _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 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 $XWINNMR $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 'LIM domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.448 0.030 1 2 6 6 SER HB2 H 3.774 0.030 1 3 6 6 SER HB3 H 3.774 0.030 1 4 6 6 SER CA C 58.190 0.300 1 5 6 6 SER CB C 64.063 0.300 1 6 7 7 GLY H H 8.099 0.030 1 7 7 7 GLY HA2 H 3.829 0.030 2 8 7 7 GLY HA3 H 3.543 0.030 2 9 7 7 GLY C C 173.633 0.300 1 10 7 7 GLY CA C 44.564 0.300 1 11 7 7 GLY N N 109.903 0.300 1 12 8 8 CYS H H 8.399 0.030 1 13 8 8 CYS HA H 4.337 0.030 1 14 8 8 CYS HB2 H 3.342 0.030 2 15 8 8 CYS HB3 H 2.144 0.030 2 16 8 8 CYS C C 176.723 0.300 1 17 8 8 CYS CA C 57.742 0.300 1 18 8 8 CYS CB C 30.978 0.300 1 19 8 8 CYS N N 123.210 0.300 1 20 9 9 ALA H H 8.839 0.030 1 21 9 9 ALA HA H 3.938 0.030 1 22 9 9 ALA HB H 0.365 0.030 1 23 9 9 ALA C C 177.712 0.300 1 24 9 9 ALA CA C 53.744 0.300 1 25 9 9 ALA CB C 17.681 0.300 1 26 9 9 ALA N N 132.283 0.300 1 27 10 10 GLY H H 9.492 0.030 1 28 10 10 GLY HA2 H 4.641 0.030 2 29 10 10 GLY HA3 H 3.927 0.030 2 30 10 10 GLY C C 175.357 0.300 1 31 10 10 GLY CA C 46.025 0.300 1 32 10 10 GLY N N 110.079 0.300 1 33 11 11 CYS H H 8.054 0.030 1 34 11 11 CYS HA H 5.149 0.030 1 35 11 11 CYS HB2 H 3.347 0.030 2 36 11 11 CYS HB3 H 3.300 0.030 2 37 11 11 CYS CA C 58.852 0.300 1 38 11 11 CYS CB C 31.687 0.300 1 39 11 11 CYS N N 119.564 0.300 1 40 12 12 THR H H 8.063 0.030 1 41 12 12 THR HA H 4.373 0.030 1 42 12 12 THR HB H 4.530 0.030 1 43 12 12 THR HG2 H 1.162 0.030 1 44 12 12 THR C C 173.692 0.300 1 45 12 12 THR CA C 64.132 0.300 1 46 12 12 THR CB C 69.601 0.300 1 47 12 12 THR CG2 C 21.621 0.300 1 48 12 12 THR N N 113.100 0.300 1 49 13 13 ASN H H 8.874 0.030 1 50 13 13 ASN HA H 5.161 0.030 1 51 13 13 ASN HB2 H 3.079 0.030 2 52 13 13 ASN HB3 H 2.899 0.030 2 53 13 13 ASN HD21 H 7.152 0.030 2 54 13 13 ASN HD22 H 7.401 0.030 2 55 13 13 ASN C C 173.322 0.300 1 56 13 13 ASN CA C 52.480 0.300 1 57 13 13 ASN CB C 38.203 0.300 1 58 13 13 ASN N N 123.630 0.300 1 59 13 13 ASN ND2 N 114.787 0.300 1 60 14 14 PRO HA H 4.389 0.030 1 61 14 14 PRO HB2 H 2.277 0.030 2 62 14 14 PRO HB3 H 1.779 0.030 2 63 14 14 PRO HD2 H 3.943 0.030 2 64 14 14 PRO HD3 H 3.680 0.030 2 65 14 14 PRO HG2 H 2.053 0.030 1 66 14 14 PRO HG3 H 2.053 0.030 1 67 14 14 PRO C C 177.111 0.300 1 68 14 14 PRO CA C 63.467 0.300 1 69 14 14 PRO CB C 32.466 0.300 1 70 14 14 PRO CD C 50.669 0.300 1 71 14 14 PRO CG C 27.604 0.300 1 72 15 15 ILE H H 8.561 0.030 1 73 15 15 ILE HA H 4.000 0.030 1 74 15 15 ILE HB H 1.313 0.030 1 75 15 15 ILE HD1 H 0.092 0.030 1 76 15 15 ILE HG12 H 0.963 0.030 2 77 15 15 ILE HG13 H 0.098 0.030 2 78 15 15 ILE HG2 H 0.238 0.030 1 79 15 15 ILE C C 175.488 0.300 1 80 15 15 ILE CA C 60.583 0.300 1 81 15 15 ILE CB C 37.887 0.300 1 82 15 15 ILE CD1 C 12.742 0.300 1 83 15 15 ILE CG1 C 26.839 0.300 1 84 15 15 ILE CG2 C 16.846 0.300 1 85 15 15 ILE N N 123.161 0.300 1 86 16 16 SER HA H 4.396 0.030 1 87 16 16 SER HB2 H 3.773 0.030 1 88 16 16 SER HB3 H 3.773 0.030 1 89 16 16 SER C C 174.914 0.300 1 90 16 16 SER CA C 58.046 0.300 1 91 16 16 SER CB C 64.031 0.300 1 92 17 17 GLY H H 8.491 0.030 1 93 17 17 GLY HA2 H 4.073 0.030 2 94 17 17 GLY HA3 H 3.902 0.030 2 95 17 17 GLY C C 174.736 0.300 1 96 17 17 GLY CA C 45.586 0.300 1 97 17 17 GLY N N 111.898 0.300 1 98 18 18 LEU H H 8.042 0.030 1 99 18 18 LEU HA H 4.342 0.030 1 100 18 18 LEU HB2 H 1.628 0.030 2 101 18 18 LEU HB3 H 1.593 0.030 2 102 18 18 LEU HD1 H 0.912 0.030 1 103 18 18 LEU HD2 H 0.854 0.030 1 104 18 18 LEU HG H 1.597 0.030 1 105 18 18 LEU C C 178.343 0.300 1 106 18 18 LEU CA C 55.429 0.300 1 107 18 18 LEU CB C 42.343 0.300 1 108 18 18 LEU CD1 C 24.958 0.300 2 109 18 18 LEU CD2 C 23.270 0.300 2 110 18 18 LEU CG C 26.966 0.300 1 111 18 18 LEU N N 121.446 0.300 1 112 19 19 GLY H H 8.605 0.030 1 113 19 19 GLY HA2 H 3.965 0.030 1 114 19 19 GLY HA3 H 3.965 0.030 1 115 19 19 GLY C C 175.055 0.300 1 116 19 19 GLY CA C 45.838 0.300 1 117 19 19 GLY N N 109.883 0.300 1 118 20 20 GLY H H 8.378 0.030 1 119 20 20 GLY HA2 H 4.046 0.030 2 120 20 20 GLY HA3 H 3.902 0.030 2 121 20 20 GLY C C 174.540 0.300 1 122 20 20 GLY CA C 45.736 0.300 1 123 20 20 GLY N N 109.249 0.300 1 124 21 21 THR H H 7.771 0.030 1 125 21 21 THR HA H 4.291 0.030 1 126 21 21 THR HB H 4.259 0.030 1 127 21 21 THR HG2 H 1.290 0.030 1 128 21 21 THR C C 174.561 0.300 1 129 21 21 THR CA C 62.662 0.300 1 130 21 21 THR CB C 69.718 0.300 1 131 21 21 THR CG2 C 21.858 0.300 1 132 21 21 THR N N 113.837 0.300 1 133 22 22 LYS H H 8.414 0.030 1 134 22 22 LYS HA H 4.455 0.030 1 135 22 22 LYS HB2 H 1.840 0.030 2 136 22 22 LYS HB3 H 1.781 0.030 2 137 22 22 LYS HD2 H 1.652 0.030 1 138 22 22 LYS HD3 H 1.652 0.030 1 139 22 22 LYS HE2 H 2.977 0.030 1 140 22 22 LYS HE3 H 2.977 0.030 1 141 22 22 LYS HG2 H 1.503 0.030 2 142 22 22 LYS HG3 H 1.374 0.030 2 143 22 22 LYS C C 175.259 0.300 1 144 22 22 LYS CA C 55.884 0.300 1 145 22 22 LYS CB C 33.003 0.300 1 146 22 22 LYS CD C 28.938 0.300 1 147 22 22 LYS CE C 42.245 0.300 1 148 22 22 LYS CG C 24.838 0.300 1 149 22 22 LYS N N 124.393 0.300 1 150 23 23 TYR H H 7.751 0.030 1 151 23 23 TYR HA H 5.151 0.030 1 152 23 23 TYR HB2 H 2.933 0.030 2 153 23 23 TYR HB3 H 2.778 0.030 2 154 23 23 TYR HD1 H 6.768 0.030 1 155 23 23 TYR HD2 H 6.768 0.030 1 156 23 23 TYR HE1 H 6.679 0.030 1 157 23 23 TYR HE2 H 6.679 0.030 1 158 23 23 TYR C C 173.325 0.300 1 159 23 23 TYR CA C 56.175 0.300 1 160 23 23 TYR CB C 40.492 0.300 1 161 23 23 TYR CD1 C 133.445 0.300 1 162 23 23 TYR CD2 C 133.445 0.300 1 163 23 23 TYR CE1 C 118.148 0.300 1 164 23 23 TYR CE2 C 118.148 0.300 1 165 23 23 TYR N N 119.810 0.300 1 166 24 24 ILE H H 9.159 0.030 1 167 24 24 ILE HA H 4.206 0.030 1 168 24 24 ILE HB H 1.432 0.030 1 169 24 24 ILE HD1 H 0.464 0.030 1 170 24 24 ILE HG12 H 1.106 0.030 2 171 24 24 ILE HG13 H 0.970 0.030 2 172 24 24 ILE HG2 H -0.122 0.030 1 173 24 24 ILE C C 175.303 0.300 1 174 24 24 ILE CA C 58.781 0.300 1 175 24 24 ILE CB C 39.911 0.300 1 176 24 24 ILE CD1 C 11.920 0.300 1 177 24 24 ILE CG1 C 26.645 0.300 1 178 24 24 ILE CG2 C 16.157 0.300 1 179 24 24 ILE N N 122.279 0.300 1 180 25 25 SER H H 8.451 0.030 1 181 25 25 SER HA H 5.551 0.030 1 182 25 25 SER HB2 H 3.907 0.030 2 183 25 25 SER HB3 H 3.796 0.030 2 184 25 25 SER C C 173.820 0.300 1 185 25 25 SER CA C 56.883 0.300 1 186 25 25 SER CB C 65.300 0.300 1 187 25 25 SER N N 120.884 0.300 1 188 26 26 PHE H H 8.874 0.030 1 189 26 26 PHE HA H 4.808 0.030 1 190 26 26 PHE HB2 H 3.203 0.030 1 191 26 26 PHE HB3 H 3.203 0.030 1 192 26 26 PHE HD1 H 7.459 0.030 1 193 26 26 PHE HD2 H 7.459 0.030 1 194 26 26 PHE HE1 H 7.416 0.030 1 195 26 26 PHE HE2 H 7.416 0.030 1 196 26 26 PHE HZ H 7.319 0.030 1 197 26 26 PHE C C 173.994 0.300 1 198 26 26 PHE CA C 58.759 0.300 1 199 26 26 PHE CB C 41.237 0.300 1 200 26 26 PHE CD1 C 131.868 0.300 1 201 26 26 PHE CD2 C 131.868 0.300 1 202 26 26 PHE CE1 C 131.868 0.300 1 203 26 26 PHE CE2 C 131.868 0.300 1 204 26 26 PHE CZ C 130.411 0.300 1 205 26 26 PHE N N 124.944 0.300 1 206 27 27 GLU H H 9.063 0.030 1 207 27 27 GLU HA H 3.598 0.030 1 208 27 27 GLU HB2 H 1.919 0.030 2 209 27 27 GLU HB3 H 1.819 0.030 2 210 27 27 GLU HG2 H 1.699 0.030 2 211 27 27 GLU HG3 H 1.371 0.030 2 212 27 27 GLU C C 175.946 0.300 1 213 27 27 GLU CA C 58.020 0.300 1 214 27 27 GLU CB C 27.250 0.300 1 215 27 27 GLU CG C 36.200 0.300 1 216 27 27 GLU N N 126.471 0.300 1 217 28 28 GLU H H 8.651 0.030 1 218 28 28 GLU HA H 4.211 0.030 1 219 28 28 GLU HB2 H 2.250 0.030 2 220 28 28 GLU HB3 H 2.101 0.030 2 221 28 28 GLU HG2 H 2.269 0.030 2 222 28 28 GLU HG3 H 2.160 0.030 2 223 28 28 GLU C C 175.725 0.300 1 224 28 28 GLU CA C 57.256 0.300 1 225 28 28 GLU CB C 28.529 0.300 1 226 28 28 GLU CG C 36.598 0.300 1 227 28 28 GLU N N 117.571 0.300 1 228 29 29 ARG H H 8.035 0.030 1 229 29 29 ARG HA H 4.378 0.030 1 230 29 29 ARG HB2 H 1.890 0.030 2 231 29 29 ARG HB3 H 0.782 0.030 2 232 29 29 ARG HD2 H 3.281 0.030 2 233 29 29 ARG HD3 H 2.908 0.030 2 234 29 29 ARG HE H 7.465 0.030 1 235 29 29 ARG HG2 H 1.642 0.030 2 236 29 29 ARG HG3 H 1.501 0.030 2 237 29 29 ARG C C 174.576 0.300 1 238 29 29 ARG CA C 55.525 0.300 1 239 29 29 ARG CB C 34.924 0.300 1 240 29 29 ARG CD C 44.064 0.300 1 241 29 29 ARG CG C 27.458 0.300 1 242 29 29 ARG N N 120.329 0.300 1 243 29 29 ARG NE N 85.777 0.300 1 244 30 30 GLN H H 8.084 0.030 1 245 30 30 GLN HA H 5.632 0.030 1 246 30 30 GLN HB2 H 1.762 0.030 2 247 30 30 GLN HB3 H 1.621 0.030 2 248 30 30 GLN HE21 H 6.911 0.030 2 249 30 30 GLN HE22 H 6.360 0.030 2 250 30 30 GLN HG2 H 2.163 0.030 2 251 30 30 GLN HG3 H 2.090 0.030 2 252 30 30 GLN C C 173.950 0.300 1 253 30 30 GLN CA C 54.239 0.300 1 254 30 30 GLN CB C 32.719 0.300 1 255 30 30 GLN CG C 33.796 0.300 1 256 30 30 GLN N N 117.485 0.300 1 257 30 30 GLN NE2 N 109.646 0.300 1 258 31 31 TRP H H 9.381 0.030 1 259 31 31 TRP HA H 6.173 0.030 1 260 31 31 TRP HB2 H 3.354 0.030 2 261 31 31 TRP HB3 H 2.830 0.030 2 262 31 31 TRP HD1 H 6.830 0.030 1 263 31 31 TRP HE1 H 10.499 0.030 1 264 31 31 TRP HE3 H 7.429 0.030 1 265 31 31 TRP HH2 H 7.101 0.030 1 266 31 31 TRP HZ2 H 7.329 0.030 1 267 31 31 TRP HZ3 H 7.079 0.030 1 268 31 31 TRP C C 177.768 0.300 1 269 31 31 TRP CA C 56.647 0.300 1 270 31 31 TRP CB C 35.341 0.300 1 271 31 31 TRP CD1 C 125.658 0.300 1 272 31 31 TRP CE3 C 121.415 0.300 1 273 31 31 TRP CH2 C 123.957 0.300 1 274 31 31 TRP CZ2 C 114.856 0.300 1 275 31 31 TRP CZ3 C 122.543 0.300 1 276 31 31 TRP N N 119.751 0.300 1 277 31 31 TRP NE1 N 129.415 0.300 1 278 32 32 HIS H H 9.079 0.030 1 279 32 32 HIS HA H 4.611 0.030 1 280 32 32 HIS HB2 H 3.876 0.030 2 281 32 32 HIS HB3 H 3.651 0.030 2 282 32 32 HIS HD2 H 7.443 0.030 1 283 32 32 HIS HE1 H 7.355 0.030 1 284 32 32 HIS C C 178.262 0.300 1 285 32 32 HIS CA C 59.663 0.300 1 286 32 32 HIS CB C 30.673 0.300 1 287 32 32 HIS CD2 C 118.933 0.300 1 288 32 32 HIS CE1 C 138.554 0.300 1 289 32 32 HIS N N 121.630 0.300 1 290 33 33 ASN H H 8.938 0.030 1 291 33 33 ASN HA H 4.147 0.030 1 292 33 33 ASN HB2 H 2.814 0.030 2 293 33 33 ASN HB3 H 2.725 0.030 2 294 33 33 ASN HD21 H 6.410 0.030 2 295 33 33 ASN HD22 H 7.455 0.030 2 296 33 33 ASN C C 178.648 0.300 1 297 33 33 ASN CA C 57.830 0.300 1 298 33 33 ASN CB C 37.754 0.300 1 299 33 33 ASN N N 125.328 0.300 1 300 33 33 ASN ND2 N 108.303 0.300 1 301 34 34 ASP H H 8.730 0.030 1 302 34 34 ASP HA H 4.539 0.030 1 303 34 34 ASP HB2 H 2.879 0.030 2 304 34 34 ASP HB3 H 2.645 0.030 2 305 34 34 ASP C C 175.899 0.300 1 306 34 34 ASP CA C 56.287 0.300 1 307 34 34 ASP CB C 40.317 0.300 1 308 34 34 ASP N N 114.638 0.300 1 309 35 35 CYS H H 7.800 0.030 1 310 35 35 CYS HA H 4.405 0.030 1 311 35 35 CYS HB2 H 3.489 0.030 2 312 35 35 CYS HB3 H 3.254 0.030 2 313 35 35 CYS C C 174.859 0.300 1 314 35 35 CYS CA C 60.100 0.300 1 315 35 35 CYS CB C 31.805 0.300 1 316 35 35 CYS N N 116.505 0.300 1 317 36 36 PHE H H 7.334 0.030 1 318 36 36 PHE HA H 3.902 0.030 1 319 36 36 PHE HB2 H 3.103 0.030 2 320 36 36 PHE HB3 H 2.268 0.030 2 321 36 36 PHE HD1 H 5.804 0.030 1 322 36 36 PHE HD2 H 5.804 0.030 1 323 36 36 PHE HE1 H 5.631 0.030 1 324 36 36 PHE HE2 H 5.631 0.030 1 325 36 36 PHE HZ H 4.951 0.030 1 326 36 36 PHE C C 170.955 0.300 1 327 36 36 PHE CA C 57.611 0.300 1 328 36 36 PHE CB C 37.010 0.300 1 329 36 36 PHE CD1 C 131.463 0.300 1 330 36 36 PHE CD2 C 131.463 0.300 1 331 36 36 PHE CE1 C 130.864 0.300 1 332 36 36 PHE CE2 C 130.864 0.300 1 333 36 36 PHE CZ C 128.259 0.300 1 334 36 36 PHE N N 125.709 0.300 1 335 37 37 ASN H H 6.780 0.030 1 336 37 37 ASN HA H 5.114 0.030 1 337 37 37 ASN HB2 H 2.177 0.030 2 338 37 37 ASN HB3 H 2.132 0.030 2 339 37 37 ASN HD21 H 7.532 0.030 2 340 37 37 ASN HD22 H 6.823 0.030 2 341 37 37 ASN C C 172.874 0.300 1 342 37 37 ASN CA C 50.213 0.300 1 343 37 37 ASN CB C 42.214 0.300 1 344 37 37 ASN N N 119.008 0.300 1 345 37 37 ASN ND2 N 115.032 0.300 1 346 38 38 CYS H H 8.689 0.030 1 347 38 38 CYS HA H 3.930 0.030 1 348 38 38 CYS HB2 H 3.246 0.030 2 349 38 38 CYS HB3 H 2.709 0.030 2 350 38 38 CYS C C 177.928 0.300 1 351 38 38 CYS CA C 59.779 0.300 1 352 38 38 CYS CB C 31.171 0.300 1 353 38 38 CYS N N 121.861 0.300 1 354 39 39 LYS H H 9.209 0.030 1 355 39 39 LYS HA H 4.072 0.030 1 356 39 39 LYS HB2 H 2.295 0.030 2 357 39 39 LYS HB3 H 1.717 0.030 2 358 39 39 LYS HD2 H 1.864 0.030 2 359 39 39 LYS HD3 H 1.680 0.030 2 360 39 39 LYS HE2 H 3.049 0.030 1 361 39 39 LYS HE3 H 3.049 0.030 1 362 39 39 LYS HG2 H 1.539 0.030 2 363 39 39 LYS HG3 H 1.478 0.030 2 364 39 39 LYS C C 176.874 0.300 1 365 39 39 LYS CA C 58.380 0.300 1 366 39 39 LYS CB C 33.290 0.300 1 367 39 39 LYS CD C 28.634 0.300 1 368 39 39 LYS CE C 42.323 0.300 1 369 39 39 LYS CG C 24.396 0.300 1 370 39 39 LYS N N 132.070 0.300 1 371 40 40 LYS H H 8.640 0.030 1 372 40 40 LYS HA H 4.378 0.030 1 373 40 40 LYS HB2 H 2.163 0.030 2 374 40 40 LYS HB3 H 1.987 0.030 2 375 40 40 LYS HD2 H 1.712 0.030 1 376 40 40 LYS HD3 H 1.712 0.030 1 377 40 40 LYS HE2 H 2.968 0.030 1 378 40 40 LYS HE3 H 2.968 0.030 1 379 40 40 LYS HG2 H 1.391 0.030 1 380 40 40 LYS HG3 H 1.391 0.030 1 381 40 40 LYS C C 177.812 0.300 1 382 40 40 LYS CA C 58.568 0.300 1 383 40 40 LYS CB C 33.864 0.300 1 384 40 40 LYS CD C 29.083 0.300 1 385 40 40 LYS CE C 42.145 0.300 1 386 40 40 LYS CG C 25.975 0.300 1 387 40 40 LYS N N 118.875 0.300 1 388 41 41 CYS H H 8.427 0.030 1 389 41 41 CYS HA H 4.993 0.030 1 390 41 41 CYS HB2 H 3.220 0.030 2 391 41 41 CYS HB3 H 2.520 0.030 2 392 41 41 CYS C C 176.757 0.300 1 393 41 41 CYS CA C 59.277 0.300 1 394 41 41 CYS CB C 32.503 0.300 1 395 41 41 CYS N N 118.913 0.300 1 396 42 42 SER H H 7.767 0.030 1 397 42 42 SER HA H 4.141 0.030 1 398 42 42 SER HB2 H 4.170 0.030 2 399 42 42 SER HB3 H 4.019 0.030 2 400 42 42 SER C C 172.401 0.300 1 401 42 42 SER CA C 61.379 0.300 1 402 42 42 SER CB C 62.370 0.300 1 403 42 42 SER N N 115.333 0.300 1 404 43 43 LEU H H 8.331 0.030 1 405 43 43 LEU HA H 4.099 0.030 1 406 43 43 LEU HB2 H 1.828 0.030 2 407 43 43 LEU HB3 H 1.353 0.030 2 408 43 43 LEU HD1 H 0.930 0.030 1 409 43 43 LEU HD2 H 0.849 0.030 1 410 43 43 LEU HG H 1.780 0.030 1 411 43 43 LEU C C 177.107 0.300 1 412 43 43 LEU CA C 56.074 0.300 1 413 43 43 LEU CB C 43.791 0.300 1 414 43 43 LEU CD1 C 24.128 0.300 2 415 43 43 LEU CD2 C 24.830 0.300 2 416 43 43 LEU CG C 26.305 0.300 1 417 43 43 LEU N N 124.813 0.300 1 418 44 44 SER H H 8.429 0.030 1 419 44 44 SER HA H 4.765 0.030 1 420 44 44 SER HB2 H 3.990 0.030 2 421 44 44 SER HB3 H 3.683 0.030 2 422 44 44 SER C C 176.764 0.300 1 423 44 44 SER CA C 59.121 0.300 1 424 44 44 SER CB C 63.265 0.300 1 425 44 44 SER N N 117.187 0.300 1 426 45 45 LEU H H 8.865 0.030 1 427 45 45 LEU HA H 4.340 0.030 1 428 45 45 LEU HB2 H 1.227 0.030 2 429 45 45 LEU HB3 H 0.709 0.030 2 430 45 45 LEU HD1 H -0.100 0.030 1 431 45 45 LEU HD2 H 0.657 0.030 1 432 45 45 LEU HG H 1.330 0.030 1 433 45 45 LEU C C 176.299 0.300 1 434 45 45 LEU CA C 53.773 0.300 1 435 45 45 LEU CB C 41.305 0.300 1 436 45 45 LEU CD1 C 24.952 0.300 2 437 45 45 LEU CD2 C 22.225 0.300 2 438 45 45 LEU CG C 25.986 0.300 1 439 45 45 LEU N N 127.661 0.300 1 440 46 46 VAL H H 7.616 0.030 1 441 46 46 VAL HA H 3.560 0.030 1 442 46 46 VAL HB H 1.915 0.030 1 443 46 46 VAL HG1 H 1.137 0.030 1 444 46 46 VAL HG2 H 0.877 0.030 1 445 46 46 VAL C C 178.073 0.300 1 446 46 46 VAL CA C 65.175 0.300 1 447 46 46 VAL CB C 31.580 0.300 1 448 46 46 VAL CG1 C 22.802 0.300 2 449 46 46 VAL CG2 C 20.752 0.300 2 450 46 46 VAL N N 120.915 0.300 1 451 47 47 GLY H H 8.930 0.030 1 452 47 47 GLY HA2 H 4.064 0.030 2 453 47 47 GLY HA3 H 3.824 0.030 2 454 47 47 GLY C C 173.725 0.300 1 455 47 47 GLY CA C 45.931 0.300 1 456 47 47 GLY N N 116.627 0.300 1 457 48 48 ARG H H 7.866 0.030 1 458 48 48 ARG HA H 4.755 0.030 1 459 48 48 ARG HB2 H 2.023 0.030 2 460 48 48 ARG HB3 H 1.659 0.030 2 461 48 48 ARG HD2 H 3.283 0.030 1 462 48 48 ARG HD3 H 3.283 0.030 1 463 48 48 ARG HG2 H 1.592 0.030 2 464 48 48 ARG HG3 H 1.479 0.030 2 465 48 48 ARG C C 175.514 0.300 1 466 48 48 ARG CA C 54.427 0.300 1 467 48 48 ARG CB C 33.340 0.300 1 468 48 48 ARG CD C 43.448 0.300 1 469 48 48 ARG CG C 26.733 0.300 1 470 48 48 ARG N N 118.629 0.300 1 471 49 49 GLY H H 8.115 0.030 1 472 49 49 GLY HA2 H 4.088 0.030 2 473 49 49 GLY HA3 H 3.602 0.030 2 474 49 49 GLY C C 172.001 0.300 1 475 49 49 GLY CA C 45.236 0.300 1 476 49 49 GLY N N 106.580 0.300 1 477 50 50 PHE H H 7.448 0.030 1 478 50 50 PHE HA H 4.909 0.030 1 479 50 50 PHE HB2 H 2.861 0.030 2 480 50 50 PHE HB3 H 2.801 0.030 2 481 50 50 PHE HD1 H 7.000 0.030 1 482 50 50 PHE HD2 H 7.000 0.030 1 483 50 50 PHE HE1 H 6.700 0.030 1 484 50 50 PHE HE2 H 6.700 0.030 1 485 50 50 PHE HZ H 6.314 0.030 1 486 50 50 PHE C C 172.962 0.300 1 487 50 50 PHE CA C 55.615 0.300 1 488 50 50 PHE CB C 42.642 0.300 1 489 50 50 PHE CD1 C 132.586 0.300 1 490 50 50 PHE CD2 C 132.586 0.300 1 491 50 50 PHE CE1 C 130.676 0.300 1 492 50 50 PHE CE2 C 130.676 0.300 1 493 50 50 PHE CZ C 129.470 0.300 1 494 50 50 PHE N N 113.497 0.300 1 495 51 51 LEU H H 9.334 0.030 1 496 51 51 LEU HA H 4.658 0.030 1 497 51 51 LEU HB2 H 1.580 0.030 2 498 51 51 LEU HB3 H 1.361 0.030 2 499 51 51 LEU HD1 H 0.802 0.030 1 500 51 51 LEU HD2 H 0.813 0.030 1 501 51 51 LEU HG H 1.381 0.030 1 502 51 51 LEU C C 175.579 0.300 1 503 51 51 LEU CA C 53.309 0.300 1 504 51 51 LEU CB C 45.291 0.300 1 505 51 51 LEU CD1 C 26.015 0.300 2 506 51 51 LEU CD2 C 24.281 0.300 2 507 51 51 LEU CG C 27.535 0.300 1 508 51 51 LEU N N 121.657 0.300 1 509 52 52 THR H H 8.099 0.030 1 510 52 52 THR HA H 5.249 0.030 1 511 52 52 THR HB H 4.329 0.030 1 512 52 52 THR HG2 H 1.287 0.030 1 513 52 52 THR C C 174.270 0.300 1 514 52 52 THR CA C 59.296 0.300 1 515 52 52 THR CB C 71.428 0.300 1 516 52 52 THR CG2 C 22.102 0.300 1 517 52 52 THR N N 109.421 0.300 1 518 53 53 GLU H H 8.066 0.030 1 519 53 53 GLU HA H 4.438 0.030 1 520 53 53 GLU HB2 H 1.918 0.030 2 521 53 53 GLU HB3 H 1.774 0.030 2 522 53 53 GLU HG2 H 2.129 0.030 1 523 53 53 GLU HG3 H 2.129 0.030 1 524 53 53 GLU C C 175.048 0.300 1 525 53 53 GLU CA C 56.175 0.300 1 526 53 53 GLU CB C 31.830 0.300 1 527 53 53 GLU CG C 36.428 0.300 1 528 53 53 GLU N N 123.568 0.300 1 529 54 54 ARG H H 9.258 0.030 1 530 54 54 ARG HA H 3.786 0.030 1 531 54 54 ARG HB2 H 2.212 0.030 2 532 54 54 ARG HB3 H 1.919 0.030 2 533 54 54 ARG HD2 H 3.311 0.030 2 534 54 54 ARG HD3 H 3.230 0.030 2 535 54 54 ARG HG2 H 1.710 0.030 2 536 54 54 ARG HG3 H 1.660 0.030 2 537 54 54 ARG C C 176.219 0.300 1 538 54 54 ARG CA C 58.736 0.300 1 539 54 54 ARG CB C 27.545 0.300 1 540 54 54 ARG CD C 43.315 0.300 1 541 54 54 ARG CG C 27.934 0.300 1 542 54 54 ARG N N 125.355 0.300 1 543 55 55 ASP H H 8.620 0.030 1 544 55 55 ASP HA H 4.798 0.030 1 545 55 55 ASP HB2 H 2.933 0.030 2 546 55 55 ASP HB3 H 2.780 0.030 2 547 55 55 ASP C C 175.841 0.300 1 548 55 55 ASP CA C 55.475 0.300 1 549 55 55 ASP CB C 40.992 0.300 1 550 55 55 ASP N N 121.642 0.300 1 551 56 56 ASP H H 8.504 0.030 1 552 56 56 ASP HA H 5.028 0.030 1 553 56 56 ASP HB2 H 2.941 0.030 2 554 56 56 ASP HB3 H 2.403 0.030 2 555 56 56 ASP C C 175.987 0.300 1 556 56 56 ASP CA C 54.443 0.300 1 557 56 56 ASP CB C 42.808 0.300 1 558 56 56 ASP N N 121.296 0.300 1 559 57 57 ILE H H 8.271 0.030 1 560 57 57 ILE HA H 4.819 0.030 1 561 57 57 ILE HB H 1.161 0.030 1 562 57 57 ILE HD1 H -0.334 0.030 1 563 57 57 ILE HG12 H 1.121 0.030 2 564 57 57 ILE HG13 H 1.030 0.030 2 565 57 57 ILE HG2 H 0.311 0.030 1 566 57 57 ILE C C 174.038 0.300 1 567 57 57 ILE CA C 59.629 0.300 1 568 57 57 ILE CB C 39.142 0.300 1 569 57 57 ILE CD1 C 12.707 0.300 1 570 57 57 ILE CG1 C 24.896 0.300 1 571 57 57 ILE CG2 C 18.100 0.300 1 572 57 57 ILE N N 118.669 0.300 1 573 58 58 LEU H H 8.620 0.030 1 574 58 58 LEU HA H 5.688 0.030 1 575 58 58 LEU HB2 H 1.505 0.030 2 576 58 58 LEU HB3 H 1.290 0.030 2 577 58 58 LEU HD1 H 0.784 0.030 1 578 58 58 LEU HD2 H 0.970 0.030 1 579 58 58 LEU HG H 1.440 0.030 1 580 58 58 LEU C C 175.972 0.300 1 581 58 58 LEU CA C 52.746 0.300 1 582 58 58 LEU CB C 47.607 0.300 1 583 58 58 LEU CD1 C 26.727 0.300 2 584 58 58 LEU CD2 C 25.557 0.300 2 585 58 58 LEU CG C 27.599 0.300 1 586 58 58 LEU N N 122.512 0.300 1 587 59 59 CYS H H 9.621 0.030 1 588 59 59 CYS HA H 4.860 0.030 1 589 59 59 CYS HB2 H 3.292 0.030 2 590 59 59 CYS HB3 H 2.821 0.030 2 591 59 59 CYS C C 173.788 0.300 1 592 59 59 CYS CA C 56.733 0.300 1 593 59 59 CYS CB C 29.350 0.300 1 594 59 59 CYS N N 120.622 0.300 1 595 60 60 PRO HA H 4.041 0.030 1 596 60 60 PRO HB2 H 2.272 0.030 2 597 60 60 PRO HB3 H 1.799 0.030 2 598 60 60 PRO HD2 H 3.884 0.030 2 599 60 60 PRO HD3 H 3.631 0.030 2 600 60 60 PRO HG2 H 1.582 0.030 2 601 60 60 PRO HG3 H 2.053 0.030 2 602 60 60 PRO C C 178.290 0.300 1 603 60 60 PRO CA C 65.194 0.300 1 604 60 60 PRO CB C 31.799 0.300 1 605 60 60 PRO CD C 50.247 0.300 1 606 60 60 PRO CG C 28.575 0.300 1 607 61 61 ASP H H 7.661 0.030 1 608 61 61 ASP HA H 4.478 0.030 1 609 61 61 ASP HB2 H 2.729 0.030 2 610 61 61 ASP HB3 H 2.678 0.030 2 611 61 61 ASP C C 178.423 0.300 1 612 61 61 ASP CA C 57.350 0.300 1 613 61 61 ASP CB C 41.410 0.300 1 614 61 61 ASP N N 115.960 0.300 1 615 62 62 CYS H H 8.720 0.030 1 616 62 62 CYS HA H 4.028 0.030 1 617 62 62 CYS HB2 H 2.898 0.030 2 618 62 62 CYS HB3 H 2.828 0.030 2 619 62 62 CYS C C 177.782 0.300 1 620 62 62 CYS CA C 63.606 0.300 1 621 62 62 CYS CB C 30.451 0.300 1 622 62 62 CYS N N 124.036 0.300 1 623 63 63 GLY H H 8.299 0.030 1 624 63 63 GLY HA2 H 4.082 0.030 2 625 63 63 GLY HA3 H 3.381 0.030 2 626 63 63 GLY C C 173.696 0.300 1 627 63 63 GLY CA C 45.667 0.300 1 628 63 63 GLY N N 105.149 0.300 1 629 64 64 LYS H H 7.339 0.030 1 630 64 64 LYS HA H 4.130 0.030 1 631 64 64 LYS HB2 H 1.864 0.030 1 632 64 64 LYS HB3 H 1.864 0.030 1 633 64 64 LYS HD2 H 1.685 0.030 1 634 64 64 LYS HD3 H 1.685 0.030 1 635 64 64 LYS HE2 H 2.995 0.030 1 636 64 64 LYS HE3 H 2.995 0.030 1 637 64 64 LYS HG2 H 1.439 0.030 1 638 64 64 LYS HG3 H 1.439 0.030 1 639 64 64 LYS C C 176.409 0.300 1 640 64 64 LYS CA C 57.711 0.300 1 641 64 64 LYS CB C 32.654 0.300 1 642 64 64 LYS CD C 29.308 0.300 1 643 64 64 LYS CE C 42.145 0.300 1 644 64 64 LYS CG C 24.316 0.300 1 645 64 64 LYS N N 120.093 0.300 1 646 65 65 ASP H H 8.119 0.030 1 647 65 65 ASP HA H 4.646 0.030 1 648 65 65 ASP HB2 H 2.742 0.030 2 649 65 65 ASP HB3 H 2.575 0.030 2 650 65 65 ASP C C 176.539 0.300 1 651 65 65 ASP CA C 54.542 0.300 1 652 65 65 ASP CB C 40.976 0.300 1 653 65 65 ASP N N 119.688 0.300 1 654 66 66 ILE H H 7.782 0.030 1 655 66 66 ILE HA H 4.162 0.030 1 656 66 66 ILE HB H 1.931 0.030 1 657 66 66 ILE HD1 H 0.829 0.030 1 658 66 66 ILE HG12 H 1.409 0.030 2 659 66 66 ILE HG13 H 1.160 0.030 2 660 66 66 ILE HG2 H 0.892 0.030 1 661 66 66 ILE C C 176.575 0.300 1 662 66 66 ILE CA C 61.769 0.300 1 663 66 66 ILE CB C 38.570 0.300 1 664 66 66 ILE CD1 C 13.664 0.300 1 665 66 66 ILE CG1 C 27.238 0.300 1 666 66 66 ILE CG2 C 17.676 0.300 1 667 66 66 ILE N N 119.947 0.300 1 668 67 67 SER H H 8.308 0.030 1 669 67 67 SER HA H 4.468 0.030 1 670 67 67 SER HB2 H 3.887 0.030 2 671 67 67 SER HB3 H 3.838 0.030 2 672 67 67 SER C C 174.649 0.300 1 673 67 67 SER CA C 58.613 0.300 1 674 67 67 SER CB C 64.049 0.300 1 675 67 67 SER N N 118.899 0.300 1 676 68 68 GLY H H 8.159 0.030 1 677 68 68 GLY HA2 H 4.182 0.030 2 678 68 68 GLY HA3 H 4.072 0.030 2 679 68 68 GLY C C 171.811 0.300 1 680 68 68 GLY CA C 44.760 0.300 1 681 68 68 GLY N N 110.767 0.300 1 682 69 69 PRO HA H 4.477 0.030 1 683 69 69 PRO HB2 H 2.286 0.030 2 684 69 69 PRO HB3 H 1.968 0.030 2 685 69 69 PRO HD2 H 3.630 0.030 1 686 69 69 PRO HD3 H 3.630 0.030 1 687 69 69 PRO HG2 H 2.011 0.030 1 688 69 69 PRO HG3 H 2.011 0.030 1 689 69 69 PRO C C 177.432 0.300 1 690 69 69 PRO CA C 63.267 0.300 1 691 69 69 PRO CB C 32.191 0.300 1 692 69 69 PRO CD C 49.844 0.300 1 693 69 69 PRO CG C 27.171 0.300 1 694 70 70 SER H H 8.513 0.030 1 695 70 70 SER HA H 4.471 0.030 1 696 70 70 SER HB2 H 3.902 0.030 1 697 70 70 SER HB3 H 3.902 0.030 1 698 70 70 SER C C 174.685 0.300 1 699 70 70 SER CA C 58.422 0.300 1 700 70 70 SER CB C 63.867 0.300 1 701 70 70 SER N N 116.458 0.300 1 702 71 71 SER H H 8.341 0.030 1 703 71 71 SER HA H 4.530 0.030 1 704 71 71 SER HB2 H 3.842 0.030 1 705 71 71 SER HB3 H 3.842 0.030 1 706 71 71 SER C C 173.991 0.300 1 707 71 71 SER CA C 58.373 0.300 1 708 71 71 SER CB C 63.966 0.300 1 709 71 71 SER N N 117.971 0.300 1 stop_ save_