data_11220 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second SH3 domain of human KIAA0769 protein ; _BMRB_accession_number 11220 _BMRB_flat_file_name bmr11220.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 Kurosaki C. . . 3 Yoshida M. . . 4 Hayashi F. . . 5 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" 392 "13C chemical shifts" 297 "15N chemical shifts" 72 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 second SH3 domain of human KIAA0769 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 Qin X. . . 2 Kurosaki C. . . 3 Yoshida M. . . 4 Hayashi F. . . 5 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 'second SH3 domain of human KIAA0769 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'second SH3 domain of human KIAA0769 protein' $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 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; GSSGSSGVCFVKALYDYEGQ TDDELSFPEGAIIRILNKEN QDDDGFWEGEFNGRIGVFPS VLVEELSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 CYS 10 PHE 11 VAL 12 LYS 13 ALA 14 LEU 15 TYR 16 ASP 17 TYR 18 GLU 19 GLY 20 GLN 21 THR 22 ASP 23 ASP 24 GLU 25 LEU 26 SER 27 PHE 28 PRO 29 GLU 30 GLY 31 ALA 32 ILE 33 ILE 34 ARG 35 ILE 36 LEU 37 ASN 38 LYS 39 GLU 40 ASN 41 GLN 42 ASP 43 ASP 44 ASP 45 GLY 46 PHE 47 TRP 48 GLU 49 GLY 50 GLU 51 PHE 52 ASN 53 GLY 54 ARG 55 ILE 56 GLY 57 VAL 58 PHE 59 PRO 60 SER 61 VAL 62 LEU 63 VAL 64 GLU 65 GLU 66 LEU 67 SER 68 SER 69 GLY 70 PRO 71 SER 72 SER 73 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 2DL7 "Solution Structure Of The Second Sh3 Domain Of Human Kiaa0769 Protein" 100.00 73 100.00 100.00 2.73e-43 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 P050725-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.24mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.24 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_Delta _Saveframe_category software _Name Delta _Version 4.3 loop_ _Vendor _Address _Electronic_address JEOL . . 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 0.9296 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 JEOL _Model ECA _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 $Delta $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 'second SH3 domain of human KIAA0769 protein' _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 4.449 0.030 1 2 6 6 SER HB2 H 3.803 0.030 1 3 6 6 SER HB3 H 3.803 0.030 1 4 6 6 SER C C 172.291 0.300 1 5 6 6 SER CA C 55.918 0.300 1 6 6 6 SER CB C 61.068 0.300 1 7 7 7 GLY H H 8.261 0.030 1 8 7 7 GLY HA2 H 3.862 0.030 1 9 7 7 GLY HA3 H 3.862 0.030 1 10 7 7 GLY C C 170.987 0.300 1 11 7 7 GLY CA C 42.547 0.300 1 12 7 7 GLY N N 110.593 0.300 1 13 8 8 VAL H H 7.941 0.030 1 14 8 8 VAL HA H 3.915 0.030 1 15 8 8 VAL HB H 1.818 0.030 1 16 8 8 VAL HG1 H 0.609 0.030 1 17 8 8 VAL HG2 H 0.752 0.030 1 18 8 8 VAL C C 172.468 0.300 1 19 8 8 VAL CA C 59.708 0.300 1 20 8 8 VAL CB C 30.223 0.300 1 21 8 8 VAL CG1 C 18.957 0.300 2 22 8 8 VAL CG2 C 18.306 0.300 2 23 8 8 VAL N N 120.222 0.300 1 24 9 9 CYS H H 8.257 0.030 1 25 9 9 CYS HA H 4.546 0.030 1 26 9 9 CYS HB2 H 2.739 0.030 2 27 9 9 CYS HB3 H 2.640 0.030 2 28 9 9 CYS C C 169.605 0.300 1 29 9 9 CYS CA C 55.146 0.300 1 30 9 9 CYS CB C 26.313 0.300 1 31 9 9 CYS N N 123.898 0.300 1 32 10 10 PHE H H 8.813 0.030 1 33 10 10 PHE HA H 5.445 0.030 1 34 10 10 PHE HB2 H 2.824 0.030 2 35 10 10 PHE HB3 H 2.727 0.030 2 36 10 10 PHE HD1 H 7.029 0.030 1 37 10 10 PHE HD2 H 7.029 0.030 1 38 10 10 PHE HE1 H 7.254 0.030 1 39 10 10 PHE HE2 H 7.254 0.030 1 40 10 10 PHE HZ H 7.205 0.030 1 41 10 10 PHE C C 172.697 0.300 1 42 10 10 PHE CA C 54.108 0.300 1 43 10 10 PHE CB C 40.550 0.300 1 44 10 10 PHE CD1 C 129.070 0.300 1 45 10 10 PHE CD2 C 129.070 0.300 1 46 10 10 PHE CE1 C 128.946 0.300 1 47 10 10 PHE CE2 C 128.946 0.300 1 48 10 10 PHE CZ C 127.086 0.300 1 49 10 10 PHE N N 122.768 0.300 1 50 11 11 VAL H H 8.985 0.030 1 51 11 11 VAL HA H 5.035 0.030 1 52 11 11 VAL HB H 1.909 0.030 1 53 11 11 VAL HG1 H 0.928 0.030 1 54 11 11 VAL HG2 H 0.658 0.030 1 55 11 11 VAL C C 170.130 0.300 1 56 11 11 VAL CA C 55.451 0.300 1 57 11 11 VAL CB C 33.037 0.300 1 58 11 11 VAL CG1 C 19.153 0.300 2 59 11 11 VAL CG2 C 17.687 0.300 2 60 11 11 VAL N N 112.184 0.300 1 61 12 12 LYS H H 8.949 0.030 1 62 12 12 LYS HA H 5.302 0.030 1 63 12 12 LYS HB2 H 1.317 0.030 2 64 12 12 LYS HB3 H 1.599 0.030 2 65 12 12 LYS HD2 H 1.497 0.030 1 66 12 12 LYS HD3 H 1.497 0.030 1 67 12 12 LYS HE2 H 2.720 0.030 2 68 12 12 LYS HE3 H 2.795 0.030 2 69 12 12 LYS HG2 H 1.084 0.030 2 70 12 12 LYS HG3 H 1.006 0.030 2 71 12 12 LYS C C 173.729 0.300 1 72 12 12 LYS CA C 50.508 0.300 1 73 12 12 LYS CB C 33.589 0.300 1 74 12 12 LYS CD C 27.037 0.300 1 75 12 12 LYS CE C 39.201 0.300 1 76 12 12 LYS CG C 21.830 0.300 1 77 12 12 LYS N N 120.539 0.300 1 78 13 13 ALA H H 8.880 0.030 1 79 13 13 ALA HA H 4.158 0.030 1 80 13 13 ALA HB H 1.257 0.030 1 81 13 13 ALA C C 176.467 0.300 1 82 13 13 ALA CA C 50.102 0.300 1 83 13 13 ALA CB C 18.299 0.300 1 84 13 13 ALA N N 127.521 0.300 1 85 14 14 LEU H H 9.413 0.030 1 86 14 14 LEU HA H 4.001 0.030 1 87 14 14 LEU HB2 H 1.434 0.030 2 88 14 14 LEU HB3 H 0.875 0.030 2 89 14 14 LEU HD1 H 0.703 0.030 1 90 14 14 LEU HD2 H 0.610 0.030 1 91 14 14 LEU HG H 1.361 0.030 1 92 14 14 LEU C C 172.237 0.300 1 93 14 14 LEU CA C 52.805 0.300 1 94 14 14 LEU CB C 40.910 0.300 1 95 14 14 LEU CD1 C 22.781 0.300 2 96 14 14 LEU CD2 C 19.372 0.300 2 97 14 14 LEU CG C 24.521 0.300 1 98 14 14 LEU N N 126.860 0.300 1 99 15 15 TYR H H 7.212 0.030 1 100 15 15 TYR HA H 4.588 0.030 1 101 15 15 TYR HB2 H 2.356 0.030 2 102 15 15 TYR HB3 H 3.343 0.030 2 103 15 15 TYR HD1 H 7.089 0.030 1 104 15 15 TYR HD2 H 7.089 0.030 1 105 15 15 TYR HE1 H 6.725 0.030 1 106 15 15 TYR HE2 H 6.725 0.030 1 107 15 15 TYR C C 170.745 0.300 1 108 15 15 TYR CA C 52.781 0.300 1 109 15 15 TYR CB C 41.229 0.300 1 110 15 15 TYR CD1 C 131.748 0.300 1 111 15 15 TYR CD2 C 131.748 0.300 1 112 15 15 TYR CE1 C 115.378 0.300 1 113 15 15 TYR CE2 C 115.378 0.300 1 114 15 15 TYR N N 112.735 0.300 1 115 16 16 ASP H H 8.136 0.030 1 116 16 16 ASP HA H 4.667 0.030 1 117 16 16 ASP HB2 H 2.587 0.030 2 118 16 16 ASP HB3 H 2.468 0.030 2 119 16 16 ASP C C 173.117 0.300 1 120 16 16 ASP CA C 51.670 0.300 1 121 16 16 ASP CB C 39.886 0.300 1 122 16 16 ASP N N 116.721 0.300 1 123 17 17 TYR H H 8.766 0.030 1 124 17 17 TYR HA H 4.332 0.030 1 125 17 17 TYR HB2 H 2.194 0.030 2 126 17 17 TYR HB3 H 1.034 0.030 2 127 17 17 TYR HD1 H 6.956 0.030 1 128 17 17 TYR HD2 H 6.956 0.030 1 129 17 17 TYR HE1 H 6.800 0.030 1 130 17 17 TYR HE2 H 6.800 0.030 1 131 17 17 TYR C C 171.396 0.300 1 132 17 17 TYR CA C 55.942 0.300 1 133 17 17 TYR CB C 39.781 0.300 1 134 17 17 TYR CD1 C 131.280 0.300 1 135 17 17 TYR CD2 C 131.280 0.300 1 136 17 17 TYR CE1 C 115.517 0.300 1 137 17 17 TYR CE2 C 115.517 0.300 1 138 17 17 TYR N N 120.240 0.300 1 139 18 18 GLU H H 7.352 0.030 1 140 18 18 GLU HA H 4.108 0.030 1 141 18 18 GLU HB2 H 1.547 0.030 2 142 18 18 GLU HB3 H 1.464 0.030 2 143 18 18 GLU HG2 H 1.921 0.030 2 144 18 18 GLU HG3 H 1.850 0.030 2 145 18 18 GLU C C 171.682 0.300 1 146 18 18 GLU CA C 51.043 0.300 1 147 18 18 GLU CB C 27.761 0.300 1 148 18 18 GLU CG C 33.217 0.300 1 149 18 18 GLU N N 129.089 0.300 1 150 19 19 GLY H H 8.515 0.030 1 151 19 19 GLY HA2 H 3.314 0.030 2 152 19 19 GLY HA3 H 3.898 0.030 2 153 19 19 GLY C C 172.403 0.300 1 154 19 19 GLY CA C 43.802 0.300 1 155 19 19 GLY N N 113.931 0.300 1 156 20 20 GLN H H 9.201 0.030 1 157 20 20 GLN HA H 4.093 0.030 1 158 20 20 GLN HB2 H 2.004 0.030 2 159 20 20 GLN HB3 H 2.174 0.030 2 160 20 20 GLN HE21 H 7.443 0.030 2 161 20 20 GLN HE22 H 6.788 0.030 2 162 20 20 GLN HG2 H 2.438 0.030 2 163 20 20 GLN HG3 H 2.313 0.030 2 164 20 20 GLN C C 173.593 0.300 1 165 20 20 GLN CA C 53.810 0.300 1 166 20 20 GLN CB C 28.123 0.300 1 167 20 20 GLN CG C 31.865 0.300 1 168 20 20 GLN N N 122.627 0.300 1 169 20 20 GLN NE2 N 114.277 0.300 1 170 21 21 THR H H 7.304 0.030 1 171 21 21 THR HA H 4.599 0.030 1 172 21 21 THR HB H 4.439 0.030 1 173 21 21 THR HG2 H 1.067 0.030 1 174 21 21 THR C C 173.156 0.300 1 175 21 21 THR CA C 56.546 0.300 1 176 21 21 THR CB C 69.430 0.300 1 177 21 21 THR CG2 C 18.846 0.300 1 178 21 21 THR N N 107.333 0.300 1 179 22 22 ASP H H 8.800 0.030 1 180 22 22 ASP HA H 4.401 0.030 1 181 22 22 ASP HB2 H 2.716 0.030 2 182 22 22 ASP HB3 H 2.564 0.030 2 183 22 22 ASP C C 173.593 0.300 1 184 22 22 ASP CA C 54.036 0.300 1 185 22 22 ASP CB C 38.016 0.300 1 186 22 22 ASP N N 119.609 0.300 1 187 23 23 ASP H H 7.951 0.030 1 188 23 23 ASP HA H 4.712 0.030 1 189 23 23 ASP HB2 H 2.388 0.030 2 190 23 23 ASP HB3 H 2.775 0.030 2 191 23 23 ASP C C 173.749 0.300 1 192 23 23 ASP CA C 52.153 0.300 1 193 23 23 ASP CB C 38.912 0.300 1 194 23 23 ASP N N 115.788 0.300 1 195 24 24 GLU H H 7.500 0.030 1 196 24 24 GLU HA H 5.126 0.030 1 197 24 24 GLU HB2 H 1.992 0.030 2 198 24 24 GLU HB3 H 2.617 0.030 2 199 24 24 GLU HG2 H 2.506 0.030 2 200 24 24 GLU HG3 H 2.232 0.030 2 201 24 24 GLU C C 174.117 0.300 1 202 24 24 GLU CA C 52.998 0.300 1 203 24 24 GLU CB C 30.354 0.300 1 204 24 24 GLU CG C 34.565 0.300 1 205 24 24 GLU N N 119.032 0.300 1 206 25 25 LEU H H 8.738 0.030 1 207 25 25 LEU HA H 4.410 0.030 1 208 25 25 LEU HB2 H 1.324 0.030 2 209 25 25 LEU HB3 H 1.806 0.030 2 210 25 25 LEU HD1 H 0.993 0.030 1 211 25 25 LEU HD2 H 0.854 0.030 1 212 25 25 LEU HG H 1.732 0.030 1 213 25 25 LEU C C 171.565 0.300 1 214 25 25 LEU CA C 51.502 0.300 1 215 25 25 LEU CB C 43.039 0.300 1 216 25 25 LEU CD1 C 21.994 0.300 2 217 25 25 LEU CD2 C 22.171 0.300 2 218 25 25 LEU CG C 24.568 0.300 1 219 25 25 LEU N N 124.380 0.300 1 220 26 26 SER H H 7.178 0.030 1 221 26 26 SER HA H 4.728 0.030 1 222 26 26 SER HB2 H 3.872 0.030 2 223 26 26 SER HB3 H 3.611 0.030 2 224 26 26 SER C C 171.174 0.300 1 225 26 26 SER CA C 55.001 0.300 1 226 26 26 SER CB C 62.930 0.300 1 227 26 26 SER N N 112.684 0.300 1 228 27 27 PHE H H 8.305 0.030 1 229 27 27 PHE HA H 4.771 0.030 1 230 27 27 PHE HB2 H 2.470 0.030 2 231 27 27 PHE HB3 H 2.030 0.030 2 232 27 27 PHE HD1 H 6.413 0.030 1 233 27 27 PHE HD2 H 6.413 0.030 1 234 27 27 PHE HE1 H 6.318 0.030 1 235 27 27 PHE HE2 H 6.318 0.030 1 236 27 27 PHE HZ H 6.677 0.030 1 237 27 27 PHE C C 169.746 0.300 1 238 27 27 PHE CA C 51.307 0.300 1 239 27 27 PHE CB C 34.645 0.300 1 240 27 27 PHE CD1 C 130.583 0.300 1 241 27 27 PHE CD2 C 130.583 0.300 1 242 27 27 PHE CE1 C 125.338 0.300 1 243 27 27 PHE CE2 C 125.338 0.300 1 244 27 27 PHE CZ C 128.070 0.300 1 245 27 27 PHE N N 117.919 0.300 1 246 28 28 PRO HA H 5.044 0.030 1 247 28 28 PRO HB2 H 2.095 0.030 2 248 28 28 PRO HB3 H 2.017 0.030 2 249 28 28 PRO HD2 H 3.313 0.030 2 250 28 28 PRO HD3 H 3.676 0.030 2 251 28 28 PRO HG2 H 1.791 0.030 2 252 28 28 PRO HG3 H 2.098 0.030 2 253 28 28 PRO C C 173.429 0.300 1 254 28 28 PRO CA C 57.994 0.300 1 255 28 28 PRO CB C 30.063 0.300 1 256 28 28 PRO CD C 47.860 0.300 1 257 28 28 PRO CG C 23.337 0.300 1 258 29 29 GLU H H 8.699 0.030 1 259 29 29 GLU HA H 3.121 0.030 1 260 29 29 GLU HB2 H 1.724 0.030 1 261 29 29 GLU HB3 H 1.724 0.030 1 262 29 29 GLU HG2 H 1.914 0.030 2 263 29 29 GLU HG3 H 1.794 0.030 2 264 29 29 GLU C C 174.226 0.300 1 265 29 29 GLU CA C 55.822 0.300 1 266 29 29 GLU CB C 26.700 0.300 1 267 29 29 GLU CG C 32.721 0.300 1 268 29 29 GLU N N 119.556 0.300 1 269 30 30 GLY H H 8.434 0.030 1 270 30 30 GLY HA2 H 4.173 0.030 2 271 30 30 GLY HA3 H 3.291 0.030 2 272 30 30 GLY C C 170.786 0.300 1 273 30 30 GLY CA C 42.316 0.300 1 274 30 30 GLY N N 114.595 0.300 1 275 31 31 ALA H H 7.564 0.030 1 276 31 31 ALA HA H 3.939 0.030 1 277 31 31 ALA HB H 0.633 0.030 1 278 31 31 ALA C C 173.086 0.300 1 279 31 31 ALA CA C 50.146 0.300 1 280 31 31 ALA CB C 17.624 0.300 1 281 31 31 ALA N N 122.837 0.300 1 282 32 32 ILE H H 7.934 0.030 1 283 32 32 ILE HA H 4.853 0.030 1 284 32 32 ILE HB H 1.886 0.030 1 285 32 32 ILE HD1 H 0.653 0.030 1 286 32 32 ILE HG12 H 1.449 0.030 2 287 32 32 ILE HG13 H 1.246 0.030 2 288 32 32 ILE HG2 H 0.736 0.030 1 289 32 32 ILE C C 173.284 0.300 1 290 32 32 ILE CA C 56.549 0.300 1 291 32 32 ILE CB C 34.008 0.300 1 292 32 32 ILE CD1 C 8.409 0.300 1 293 32 32 ILE CG1 C 24.279 0.300 1 294 32 32 ILE CG2 C 15.080 0.300 1 295 32 32 ILE N N 120.475 0.300 1 296 33 33 ILE H H 8.805 0.030 1 297 33 33 ILE HA H 4.284 0.030 1 298 33 33 ILE HB H 1.074 0.030 1 299 33 33 ILE HD1 H -1.038 0.030 1 300 33 33 ILE HG12 H 0.667 0.030 2 301 33 33 ILE HG13 H -0.026 0.030 2 302 33 33 ILE HG2 H 0.404 0.030 1 303 33 33 ILE C C 172.308 0.300 1 304 33 33 ILE CA C 57.763 0.300 1 305 33 33 ILE CB C 38.831 0.300 1 306 33 33 ILE CD1 C 10.519 0.300 1 307 33 33 ILE CG1 C 24.926 0.300 1 308 33 33 ILE CG2 C 14.934 0.300 1 309 33 33 ILE N N 129.511 0.300 1 310 34 34 ARG H H 8.303 0.030 1 311 34 34 ARG HA H 4.238 0.030 1 312 34 34 ARG HB2 H 1.911 0.030 2 313 34 34 ARG HB3 H 1.773 0.030 2 314 34 34 ARG HD2 H 2.978 0.030 2 315 34 34 ARG HD3 H 3.082 0.030 2 316 34 34 ARG HE H 7.295 0.030 1 317 34 34 ARG HG2 H 1.026 0.030 2 318 34 34 ARG HG3 H 0.884 0.030 2 319 34 34 ARG C C 173.019 0.300 1 320 34 34 ARG CA C 52.841 0.300 1 321 34 34 ARG CB C 29.788 0.300 1 322 34 34 ARG CD C 40.940 0.300 1 323 34 34 ARG CG C 25.003 0.300 1 324 34 34 ARG N N 128.247 0.300 1 325 34 34 ARG NE N 83.461 0.300 1 326 35 35 ILE H H 8.598 0.030 1 327 35 35 ILE HA H 4.250 0.030 1 328 35 35 ILE HB H 1.891 0.030 1 329 35 35 ILE HD1 H 0.837 0.030 1 330 35 35 ILE HG12 H 1.440 0.030 2 331 35 35 ILE HG13 H 1.081 0.030 2 332 35 35 ILE HG2 H 0.439 0.030 1 333 35 35 ILE C C 173.031 0.300 1 334 35 35 ILE CA C 56.370 0.300 1 335 35 35 ILE CB C 33.198 0.300 1 336 35 35 ILE CD1 C 8.495 0.300 1 337 35 35 ILE CG1 C 24.926 0.300 1 338 35 35 ILE CG2 C 15.037 0.300 1 339 35 35 ILE N N 126.851 0.300 1 340 36 36 LEU H H 9.029 0.030 1 341 36 36 LEU HA H 4.383 0.030 1 342 36 36 LEU HB2 H 1.256 0.030 2 343 36 36 LEU HB3 H 1.481 0.030 2 344 36 36 LEU HD1 H 0.786 0.030 1 345 36 36 LEU HD2 H 0.711 0.030 1 346 36 36 LEU HG H 1.490 0.030 1 347 36 36 LEU C C 174.357 0.300 1 348 36 36 LEU CA C 52.901 0.300 1 349 36 36 LEU CB C 40.505 0.300 1 350 36 36 LEU CD1 C 23.362 0.300 2 351 36 36 LEU CD2 C 20.802 0.300 2 352 36 36 LEU CG C 25.772 0.300 1 353 36 36 LEU N N 128.182 0.300 1 354 37 37 ASN H H 7.696 0.030 1 355 37 37 ASN HA H 4.529 0.030 1 356 37 37 ASN HB2 H 2.664 0.030 1 357 37 37 ASN HB3 H 2.664 0.030 1 358 37 37 ASN HD21 H 7.729 0.030 2 359 37 37 ASN HD22 H 6.818 0.030 2 360 37 37 ASN C C 171.234 0.300 1 361 37 37 ASN CA C 51.333 0.300 1 362 37 37 ASN CB C 38.694 0.300 1 363 37 37 ASN N N 116.098 0.300 1 364 37 37 ASN ND2 N 113.949 0.300 1 365 38 38 LYS H H 8.604 0.030 1 366 38 38 LYS HA H 3.904 0.030 1 367 38 38 LYS HB2 H 0.835 0.030 2 368 38 38 LYS HB3 H 0.737 0.030 2 369 38 38 LYS HD2 H 0.903 0.030 1 370 38 38 LYS HD3 H 0.903 0.030 1 371 38 38 LYS HE2 H 2.265 0.030 2 372 38 38 LYS HE3 H 1.777 0.030 2 373 38 38 LYS HG2 H -0.128 0.030 2 374 38 38 LYS HG3 H 0.543 0.030 2 375 38 38 LYS C C 173.144 0.300 1 376 38 38 LYS CA C 52.950 0.300 1 377 38 38 LYS CB C 29.854 0.300 1 378 38 38 LYS CD C 27.091 0.300 1 379 38 38 LYS CE C 38.694 0.300 1 380 38 38 LYS CG C 21.288 0.300 1 381 38 38 LYS N N 123.715 0.300 1 382 39 39 GLU H H 7.978 0.030 1 383 39 39 GLU HA H 4.160 0.030 1 384 39 39 GLU HB2 H 1.972 0.030 2 385 39 39 GLU HB3 H 1.888 0.030 2 386 39 39 GLU HG2 H 2.135 0.030 1 387 39 39 GLU HG3 H 2.135 0.030 1 388 39 39 GLU C C 174.022 0.300 1 389 39 39 GLU CA C 54.615 0.300 1 390 39 39 GLU CB C 27.689 0.300 1 391 39 39 GLU CG C 33.771 0.300 1 392 39 39 GLU N N 119.093 0.300 1 393 40 40 ASN H H 8.451 0.030 1 394 40 40 ASN HA H 4.611 0.030 1 395 40 40 ASN HB2 H 2.720 0.030 2 396 40 40 ASN HB3 H 2.915 0.030 2 397 40 40 ASN HD21 H 7.585 0.030 2 398 40 40 ASN HD22 H 7.040 0.030 2 399 40 40 ASN C C 173.120 0.300 1 400 40 40 ASN CA C 51.019 0.300 1 401 40 40 ASN CB C 36.385 0.300 1 402 40 40 ASN N N 118.035 0.300 1 403 40 40 ASN ND2 N 112.869 0.300 1 404 41 41 GLN H H 8.487 0.030 1 405 41 41 GLN HA H 4.289 0.030 1 406 41 41 GLN HB2 H 2.172 0.030 2 407 41 41 GLN HB3 H 1.910 0.030 2 408 41 41 GLN HE21 H 6.658 0.030 2 409 41 41 GLN HE22 H 7.354 0.030 2 410 41 41 GLN HG2 H 2.249 0.030 1 411 41 41 GLN HG3 H 2.249 0.030 1 412 41 41 GLN C C 173.457 0.300 1 413 41 41 GLN CA C 53.384 0.300 1 414 41 41 GLN CB C 26.530 0.300 1 415 41 41 GLN CG C 31.378 0.300 1 416 41 41 GLN N N 121.677 0.300 1 417 41 41 GLN NE2 N 112.575 0.300 1 418 42 42 ASP H H 8.365 0.030 1 419 42 42 ASP HA H 4.461 0.030 1 420 42 42 ASP HB2 H 2.609 0.030 1 421 42 42 ASP HB3 H 2.609 0.030 1 422 42 42 ASP C C 174.083 0.300 1 423 42 42 ASP CA C 52.588 0.300 1 424 42 42 ASP CB C 38.550 0.300 1 425 42 42 ASP N N 120.505 0.300 1 426 43 43 ASP H H 8.286 0.030 1 427 43 43 ASP HA H 4.425 0.030 1 428 43 43 ASP HB2 H 2.562 0.030 2 429 43 43 ASP HB3 H 2.367 0.030 2 430 43 43 ASP C C 173.530 0.300 1 431 43 43 ASP CA C 52.443 0.300 1 432 43 43 ASP CB C 38.332 0.300 1 433 43 43 ASP N N 120.528 0.300 1 434 44 44 ASP H H 8.178 0.030 1 435 44 44 ASP HA H 4.491 0.030 1 436 44 44 ASP HB2 H 2.540 0.030 2 437 44 44 ASP HB3 H 2.718 0.030 2 438 44 44 ASP C C 174.408 0.300 1 439 44 44 ASP CA C 51.546 0.300 1 440 44 44 ASP CB C 38.057 0.300 1 441 44 44 ASP N N 119.533 0.300 1 442 45 45 GLY H H 8.264 0.030 1 443 45 45 GLY HA2 H 3.814 0.030 2 444 45 45 GLY HA3 H 3.759 0.030 2 445 45 45 GLY C C 171.147 0.300 1 446 45 45 GLY CA C 42.740 0.300 1 447 45 45 GLY N N 107.706 0.300 1 448 46 46 PHE H H 8.083 0.030 1 449 46 46 PHE HA H 4.851 0.030 1 450 46 46 PHE HB2 H 2.456 0.030 2 451 46 46 PHE HB3 H 3.032 0.030 2 452 46 46 PHE HD1 H 6.848 0.030 1 453 46 46 PHE HD2 H 6.848 0.030 1 454 46 46 PHE HE1 H 7.175 0.030 1 455 46 46 PHE HE2 H 7.175 0.030 1 456 46 46 PHE HZ H 7.219 0.030 1 457 46 46 PHE C C 172.796 0.300 1 458 46 46 PHE CA C 54.055 0.300 1 459 46 46 PHE CB C 37.904 0.300 1 460 46 46 PHE CD1 C 128.063 0.300 1 461 46 46 PHE CD2 C 128.063 0.300 1 462 46 46 PHE CE1 C 128.235 0.300 1 463 46 46 PHE CE2 C 128.235 0.300 1 464 46 46 PHE CZ C 127.758 0.300 1 465 46 46 PHE N N 120.964 0.300 1 466 47 47 TRP H H 8.132 0.030 1 467 47 47 TRP HA H 5.032 0.030 1 468 47 47 TRP HB2 H 2.111 0.030 2 469 47 47 TRP HB3 H 2.807 0.030 2 470 47 47 TRP HD1 H 7.081 0.030 1 471 47 47 TRP HE1 H 10.005 0.030 1 472 47 47 TRP HE3 H 7.156 0.030 1 473 47 47 TRP HH2 H 7.133 0.030 1 474 47 47 TRP HZ2 H 7.417 0.030 1 475 47 47 TRP HZ3 H 6.752 0.030 1 476 47 47 TRP C C 170.387 0.300 1 477 47 47 TRP CA C 49.933 0.300 1 478 47 47 TRP CB C 30.500 0.300 1 479 47 47 TRP CD1 C 121.250 0.300 1 480 47 47 TRP CE3 C 116.550 0.300 1 481 47 47 TRP CH2 C 122.049 0.300 1 482 47 47 TRP CZ2 C 112.083 0.300 1 483 47 47 TRP CZ3 C 118.686 0.300 1 484 47 47 TRP N N 121.853 0.300 1 485 47 47 TRP NE1 N 128.499 0.300 1 486 48 48 GLU H H 8.504 0.030 1 487 48 48 GLU HA H 5.024 0.030 1 488 48 48 GLU HB2 H 2.081 0.030 2 489 48 48 GLU HB3 H 1.780 0.030 2 490 48 48 GLU HG2 H 2.028 0.030 2 491 48 48 GLU HG3 H 1.977 0.030 2 492 48 48 GLU C C 174.305 0.300 1 493 48 48 GLU CA C 52.201 0.300 1 494 48 48 GLU CB C 30.883 0.300 1 495 48 48 GLU CG C 34.425 0.300 1 496 48 48 GLU N N 118.904 0.300 1 497 49 49 GLY H H 9.465 0.030 1 498 49 49 GLY HA2 H 3.724 0.030 2 499 49 49 GLY HA3 H 5.221 0.030 2 500 49 49 GLY C C 166.411 0.300 1 501 49 49 GLY CA C 43.320 0.300 1 502 49 49 GLY N N 114.506 0.300 1 503 50 50 GLU H H 9.048 0.030 1 504 50 50 GLU HA H 5.635 0.030 1 505 50 50 GLU HB2 H 2.023 0.030 2 506 50 50 GLU HB3 H 1.765 0.030 2 507 50 50 GLU HG2 H 2.080 0.030 2 508 50 50 GLU HG3 H 1.888 0.030 2 509 50 50 GLU C C 172.815 0.300 1 510 50 50 GLU CA C 51.594 0.300 1 511 50 50 GLU CB C 31.198 0.300 1 512 50 50 GLU CG C 33.516 0.300 1 513 50 50 GLU N N 119.225 0.300 1 514 51 51 PHE H H 9.164 0.030 1 515 51 51 PHE HA H 4.902 0.030 1 516 51 51 PHE HB2 H 3.133 0.030 2 517 51 51 PHE HB3 H 2.783 0.030 2 518 51 51 PHE HD1 H 7.398 0.030 1 519 51 51 PHE HD2 H 7.398 0.030 1 520 51 51 PHE HE1 H 7.481 0.030 1 521 51 51 PHE HE2 H 7.481 0.030 1 522 51 51 PHE HZ H 7.299 0.030 1 523 51 51 PHE C C 172.043 0.300 1 524 51 51 PHE CA C 54.784 0.300 1 525 51 51 PHE CB C 40.855 0.300 1 526 51 51 PHE CD1 C 129.552 0.300 1 527 51 51 PHE CD2 C 129.552 0.300 1 528 51 51 PHE CE1 C 129.599 0.300 1 529 51 51 PHE CE2 C 129.599 0.300 1 530 51 51 PHE CZ C 127.680 0.300 1 531 51 51 PHE N N 126.637 0.300 1 532 52 52 ASN H H 9.086 0.030 1 533 52 52 ASN HA H 4.006 0.030 1 534 52 52 ASN HB2 H 1.482 0.030 2 535 52 52 ASN HB3 H 2.740 0.030 2 536 52 52 ASN HD21 H 7.079 0.030 2 537 52 52 ASN HD22 H 6.505 0.030 2 538 52 52 ASN C C 172.386 0.300 1 539 52 52 ASN CA C 50.488 0.300 1 540 52 52 ASN CB C 34.464 0.300 1 541 52 52 ASN N N 129.404 0.300 1 542 52 52 ASN ND2 N 111.005 0.300 1 543 53 53 GLY H H 8.972 0.030 1 544 53 53 GLY HA2 H 3.532 0.030 2 545 53 53 GLY HA3 H 4.032 0.030 2 546 53 53 GLY C C 171.065 0.300 1 547 53 53 GLY CA C 42.896 0.300 1 548 53 53 GLY N N 104.228 0.300 1 549 54 54 ARG H H 7.737 0.030 1 550 54 54 ARG HA H 4.630 0.030 1 551 54 54 ARG HB2 H 1.877 0.030 1 552 54 54 ARG HB3 H 1.877 0.030 1 553 54 54 ARG HD2 H 3.281 0.030 1 554 54 54 ARG HD3 H 3.281 0.030 1 555 54 54 ARG HE H 7.293 0.030 1 556 54 54 ARG HG2 H 1.698 0.030 2 557 54 54 ARG HG3 H 1.580 0.030 2 558 54 54 ARG C C 171.164 0.300 1 559 54 54 ARG CA C 52.057 0.300 1 560 54 54 ARG CB C 29.919 0.300 1 561 54 54 ARG CD C 40.795 0.300 1 562 54 54 ARG CG C 25.076 0.300 1 563 54 54 ARG N N 121.603 0.300 1 564 54 54 ARG NE N 85.306 0.300 1 565 55 55 ILE H H 8.308 0.030 1 566 55 55 ILE HA H 5.302 0.030 1 567 55 55 ILE HB H 1.571 0.030 1 568 55 55 ILE HD1 H 0.758 0.030 1 569 55 55 ILE HG12 H 1.501 0.030 2 570 55 55 ILE HG13 H 0.880 0.030 2 571 55 55 ILE HG2 H 0.816 0.030 1 572 55 55 ILE C C 174.453 0.300 1 573 55 55 ILE CA C 56.964 0.300 1 574 55 55 ILE CB C 38.107 0.300 1 575 55 55 ILE CD1 C 11.157 0.300 1 576 55 55 ILE CG1 C 25.655 0.300 1 577 55 55 ILE CG2 C 15.277 0.300 1 578 55 55 ILE N N 121.769 0.300 1 579 56 56 GLY H H 8.940 0.030 1 580 56 56 GLY HA2 H 3.975 0.030 2 581 56 56 GLY HA3 H 4.533 0.030 2 582 56 56 GLY C C 169.357 0.300 1 583 56 56 GLY CA C 43.175 0.300 1 584 56 56 GLY N N 113.378 0.300 1 585 57 57 VAL H H 8.455 0.030 1 586 57 57 VAL HA H 6.040 0.030 1 587 57 57 VAL HB H 2.180 0.030 1 588 57 57 VAL HG1 H 0.889 0.030 1 589 57 57 VAL HG2 H 0.799 0.030 1 590 57 57 VAL C C 174.473 0.300 1 591 57 57 VAL CA C 56.860 0.300 1 592 57 57 VAL CB C 32.198 0.300 1 593 57 57 VAL CG1 C 18.641 0.300 2 594 57 57 VAL CG2 C 16.109 0.300 2 595 57 57 VAL N N 111.653 0.300 1 596 58 58 PHE H H 8.401 0.030 1 597 58 58 PHE HA H 4.819 0.030 1 598 58 58 PHE HB2 H 3.344 0.030 2 599 58 58 PHE HB3 H 2.504 0.030 2 600 58 58 PHE HD1 H 6.869 0.030 1 601 58 58 PHE HD2 H 6.869 0.030 1 602 58 58 PHE HE1 H 6.777 0.030 1 603 58 58 PHE HE2 H 6.777 0.030 1 604 58 58 PHE HZ H 6.919 0.030 1 605 58 58 PHE C C 168.140 0.300 1 606 58 58 PHE CA C 52.925 0.300 1 607 58 58 PHE CB C 35.891 0.300 1 608 58 58 PHE CD1 C 131.140 0.300 1 609 58 58 PHE CD2 C 131.140 0.300 1 610 58 58 PHE CE1 C 127.081 0.300 1 611 58 58 PHE CE2 C 127.081 0.300 1 612 58 58 PHE CZ C 125.182 0.300 1 613 58 58 PHE N N 115.292 0.300 1 614 59 59 PRO HA H 3.597 0.030 1 615 59 59 PRO HB2 H 1.470 0.030 2 616 59 59 PRO HB3 H 1.748 0.030 2 617 59 59 PRO HD2 H 2.393 0.030 2 618 59 59 PRO HD3 H 2.977 0.030 2 619 59 59 PRO HG2 H 1.556 0.030 2 620 59 59 PRO HG3 H 1.317 0.030 2 621 59 59 PRO C C 174.872 0.300 1 622 59 59 PRO CA C 59.732 0.300 1 623 59 59 PRO CB C 28.922 0.300 1 624 59 59 PRO CD C 47.532 0.300 1 625 59 59 PRO CG C 24.931 0.300 1 626 60 60 SER H H 7.969 0.030 1 627 60 60 SER HA H 2.930 0.030 1 628 60 60 SER HB2 H 1.366 0.030 2 629 60 60 SER HB3 H 1.498 0.030 2 630 60 60 SER C C 173.235 0.300 1 631 60 60 SER CA C 58.148 0.300 1 632 60 60 SER CB C 57.801 0.300 1 633 60 60 SER N N 122.837 0.300 1 634 61 61 VAL H H 7.238 0.030 1 635 61 61 VAL HA H 3.937 0.030 1 636 61 61 VAL HB H 2.092 0.030 1 637 61 61 VAL HG1 H 0.776 0.030 1 638 61 61 VAL HG2 H 0.739 0.030 1 639 61 61 VAL C C 173.566 0.300 1 640 61 61 VAL CA C 60.214 0.300 1 641 61 61 VAL CB C 28.906 0.300 1 642 61 61 VAL CG1 C 17.190 0.300 2 643 61 61 VAL CG2 C 17.655 0.300 2 644 61 61 VAL N N 115.704 0.300 1 645 62 62 LEU H H 7.099 0.030 1 646 62 62 LEU HA H 4.427 0.030 1 647 62 62 LEU HB2 H 1.894 0.030 2 648 62 62 LEU HB3 H 1.787 0.030 2 649 62 62 LEU HD1 H 0.679 0.030 1 650 62 62 LEU HD2 H 0.574 0.030 1 651 62 62 LEU HG H 1.409 0.030 1 652 62 62 LEU C C 173.081 0.300 1 653 62 62 LEU CA C 52.075 0.300 1 654 62 62 LEU CB C 39.853 0.300 1 655 62 62 LEU CD1 C 24.747 0.300 2 656 62 62 LEU CD2 C 19.416 0.300 2 657 62 62 LEU CG C 24.773 0.300 1 658 62 62 LEU N N 117.640 0.300 1 659 63 63 VAL H H 7.317 0.030 1 660 63 63 VAL HA H 5.201 0.030 1 661 63 63 VAL HB H 1.703 0.030 1 662 63 63 VAL HG1 H 0.326 0.030 1 663 63 63 VAL HG2 H 0.918 0.030 1 664 63 63 VAL C C 171.049 0.300 1 665 63 63 VAL CA C 55.556 0.300 1 666 63 63 VAL CB C 33.119 0.300 1 667 63 63 VAL CG1 C 18.434 0.300 2 668 63 63 VAL CG2 C 16.142 0.300 2 669 63 63 VAL N N 107.866 0.300 1 670 64 64 GLU H H 8.673 0.030 1 671 64 64 GLU HA H 4.772 0.030 1 672 64 64 GLU HB2 H 1.917 0.030 2 673 64 64 GLU HB3 H 1.845 0.030 2 674 64 64 GLU HG2 H 2.143 0.030 1 675 64 64 GLU HG3 H 2.143 0.030 1 676 64 64 GLU C C 172.862 0.300 1 677 64 64 GLU CA C 51.236 0.300 1 678 64 64 GLU CB C 31.331 0.300 1 679 64 64 GLU CG C 33.261 0.300 1 680 64 64 GLU N N 118.934 0.300 1 681 65 65 GLU H H 8.964 0.030 1 682 65 65 GLU HA H 4.260 0.030 1 683 65 65 GLU HB2 H 1.999 0.030 1 684 65 65 GLU HB3 H 1.999 0.030 1 685 65 65 GLU HG2 H 2.349 0.030 2 686 65 65 GLU HG3 H 2.194 0.030 2 687 65 65 GLU C C 173.542 0.300 1 688 65 65 GLU CA C 55.460 0.300 1 689 65 65 GLU CB C 27.833 0.300 1 690 65 65 GLU CG C 34.393 0.300 1 691 65 65 GLU N N 124.951 0.300 1 692 66 66 LEU H H 8.249 0.030 1 693 66 66 LEU HA H 4.460 0.030 1 694 66 66 LEU HB2 H 1.522 0.030 1 695 66 66 LEU HB3 H 1.522 0.030 1 696 66 66 LEU HD1 H 0.750 0.030 1 697 66 66 LEU HD2 H 0.750 0.030 1 698 66 66 LEU HG H 1.517 0.030 1 699 66 66 LEU C C 174.652 0.300 1 700 66 66 LEU CA C 51.936 0.300 1 701 66 66 LEU CB C 40.143 0.300 1 702 66 66 LEU CD1 C 22.851 0.300 2 703 66 66 LEU CD2 C 21.091 0.300 2 704 66 66 LEU CG C 24.555 0.300 1 705 66 66 LEU N N 125.348 0.300 1 706 67 67 SER H H 8.530 0.030 1 707 67 67 SER HA H 4.451 0.030 1 708 67 67 SER HB2 H 3.841 0.030 1 709 67 67 SER HB3 H 3.841 0.030 1 710 67 67 SER C C 171.996 0.300 1 711 67 67 SER CA C 55.930 0.300 1 712 67 67 SER CB C 61.068 0.300 1 713 67 67 SER N N 117.842 0.300 1 714 68 68 SER H H 8.257 0.030 1 715 68 68 SER HA H 4.511 0.030 1 716 68 68 SER HB2 H 3.814 0.030 1 717 68 68 SER HB3 H 3.814 0.030 1 718 68 68 SER C C 171.720 0.300 1 719 68 68 SER CA C 55.460 0.300 1 720 68 68 SER CB C 61.647 0.300 1 721 68 68 SER N N 117.274 0.300 1 722 69 69 GLY H H 8.178 0.030 1 723 69 69 GLY HA2 H 3.984 0.030 2 724 69 69 GLY HA3 H 3.877 0.030 2 725 69 69 GLY C C 169.115 0.300 1 726 69 69 GLY CA C 41.924 0.300 1 727 69 69 GLY N N 110.121 0.300 1 728 70 70 PRO HA H 4.337 0.030 1 729 70 70 PRO HB2 H 1.839 0.030 2 730 70 70 PRO HB3 H 2.120 0.030 2 731 70 70 PRO HD2 H 3.352 0.030 1 732 70 70 PRO HD3 H 3.352 0.030 1 733 70 70 PRO HG2 H 1.833 0.030 1 734 70 70 PRO HG3 H 1.833 0.030 1 735 70 70 PRO C C 174.609 0.300 1 736 70 70 PRO CA C 60.577 0.300 1 737 70 70 PRO CB C 29.499 0.300 1 738 70 70 PRO CD C 47.034 0.300 1 739 70 70 PRO CG C 24.448 0.300 1 740 71 71 SER H H 8.371 0.030 1 741 71 71 SER HA H 4.403 0.030 1 742 71 71 SER HB2 H 3.800 0.030 1 743 71 71 SER HB3 H 3.800 0.030 1 744 71 71 SER C C 171.997 0.300 1 745 71 71 SER CA C 55.653 0.300 1 746 71 71 SER CB C 61.141 0.300 1 747 71 71 SER N N 116.220 0.300 1 748 72 72 SER H H 8.211 0.030 1 749 72 72 SER HA H 4.405 0.030 1 750 72 72 SER HB2 H 3.796 0.030 1 751 72 72 SER HB3 H 3.796 0.030 1 752 72 72 SER C C 171.284 0.300 1 753 72 72 SER CA C 55.653 0.300 1 754 72 72 SER CB C 61.430 0.300 1 755 72 72 SER N N 117.702 0.300 1 756 73 73 GLY H H 7.938 0.030 1 757 73 73 GLY HA2 H 3.684 0.030 1 758 73 73 GLY HA3 H 3.684 0.030 1 759 73 73 GLY C C 176.316 0.300 1 760 73 73 GLY CA C 43.333 0.300 1 761 73 73 GLY N N 116.772 0.300 1 stop_ save_