data_11242 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first SH3 domain of human vinexin ; _BMRB_accession_number 11242 _BMRB_flat_file_name bmr11242.str _Entry_type original _Submission_date 2010-07-23 _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 Zhang H. . . 2 Izumi K. . . 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" 375 "13C chemical shifts" 277 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the first SH3 domain of human vinexin' _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 Zhang H. . . 2 Izumi K. . . 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 Vinexin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Vinexin $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, residues 8-62' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; GSSGSSGKAARLKFDFQAQS PKELTLQKGDIVYIHKEVDK NWLEGEHHGRLGIFPANYVE VLSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 ALA 10 ALA 11 ARG 12 LEU 13 LYS 14 PHE 15 ASP 16 PHE 17 GLN 18 ALA 19 GLN 20 SER 21 PRO 22 LYS 23 GLU 24 LEU 25 THR 26 LEU 27 GLN 28 LYS 29 GLY 30 ASP 31 ILE 32 VAL 33 TYR 34 ILE 35 HIS 36 LYS 37 GLU 38 VAL 39 ASP 40 LYS 41 ASN 42 TRP 43 LEU 44 GLU 45 GLY 46 GLU 47 HIS 48 HIS 49 GLY 50 ARG 51 LEU 52 GLY 53 ILE 54 PHE 55 PRO 56 ALA 57 ASN 58 TYR 59 VAL 60 GLU 61 VAL 62 LEU 63 SER 64 GLY 65 PRO 66 SER 67 SER 68 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 BMRB 15129 Vinexin 80.88 65 100.00 100.00 4.24e-32 PDB 2DLM "Solution Structure Of The First Sh3 Domain Of Human Vinexin" 100.00 68 100.00 100.00 4.50e-41 PDB 2NWM "Solution Structure Of The First Sh3 Domain Of Human Vinexin And Its Interaction With The Peptides From Vinculin" 80.88 65 100.00 100.00 4.24e-32 REF XP_004332006 "PREDICTED: vinexin-like, partial [Tursiops truncatus]" 77.94 93 98.11 100.00 2.91e-30 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 P050516-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.89mM 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 0.89 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_NMR _Saveframe_category software _Name Delta _Version 4.3.2 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 5.04 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.93191 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntent, 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 700 _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_NMR $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 Vinexin _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 7 7 GLY H H 8.364 0.030 1 2 7 7 GLY HA2 H 3.879 0.030 1 3 7 7 GLY HA3 H 3.879 0.030 1 4 7 7 GLY CA C 42.731 0.300 1 5 7 7 GLY N N 110.626 0.300 1 6 8 8 LYS HA H 4.530 0.030 1 7 8 8 LYS HB2 H 1.718 0.030 2 8 8 8 LYS HB3 H 1.869 0.030 2 9 8 8 LYS HD2 H 1.546 0.030 2 10 8 8 LYS HD3 H 1.610 0.030 2 11 8 8 LYS HE2 H 2.900 0.030 1 12 8 8 LYS HE3 H 2.900 0.030 1 13 8 8 LYS HG2 H 1.338 0.030 2 14 8 8 LYS HG3 H 1.278 0.030 2 15 8 8 LYS CA C 52.699 0.300 1 16 8 8 LYS CB C 31.713 0.300 1 17 8 8 LYS CD C 26.656 0.300 1 18 8 8 LYS CE C 39.778 0.300 1 19 8 8 LYS CG C 22.349 0.300 1 20 9 9 ALA H H 8.456 0.030 1 21 9 9 ALA HA H 4.715 0.030 1 22 9 9 ALA HB H 1.201 0.030 1 23 9 9 ALA CA C 48.715 0.300 1 24 9 9 ALA CB C 17.930 0.300 1 25 9 9 ALA N N 125.418 0.300 1 26 10 10 ALA H H 8.877 0.030 1 27 10 10 ALA HA H 4.842 0.030 1 28 10 10 ALA HB H 0.972 0.030 1 29 10 10 ALA C C 170.889 0.300 1 30 10 10 ALA CA C 48.018 0.300 1 31 10 10 ALA CB C 20.555 0.300 1 32 10 10 ALA N N 121.973 0.300 1 33 11 11 ARG H H 8.615 0.030 1 34 11 11 ARG HA H 5.218 0.030 1 35 11 11 ARG HB2 H 1.366 0.030 2 36 11 11 ARG HB3 H 1.615 0.030 2 37 11 11 ARG HD2 H 3.065 0.030 1 38 11 11 ARG HD3 H 3.065 0.030 1 39 11 11 ARG HG2 H 1.298 0.030 1 40 11 11 ARG HG3 H 1.298 0.030 1 41 11 11 ARG C C 173.717 0.300 1 42 11 11 ARG CA C 50.734 0.300 1 43 11 11 ARG CB C 31.544 0.300 1 44 11 11 ARG CD C 40.802 0.300 1 45 11 11 ARG CG C 24.690 0.300 1 46 11 11 ARG N N 120.035 0.300 1 47 12 12 LEU H H 8.760 0.030 1 48 12 12 LEU HA H 4.292 0.030 1 49 12 12 LEU HB2 H 1.689 0.030 2 50 12 12 LEU HB3 H 2.043 0.030 2 51 12 12 LEU HD1 H 0.353 0.030 1 52 12 12 LEU HD2 H 0.889 0.030 1 53 12 12 LEU HG H 1.746 0.030 1 54 12 12 LEU C C 176.525 0.300 1 55 12 12 LEU CA C 50.310 0.300 1 56 12 12 LEU CB C 37.293 0.300 1 57 12 12 LEU CD1 C 19.897 0.300 2 58 12 12 LEU CD2 C 19.801 0.300 2 59 12 12 LEU CG C 25.710 0.300 1 60 12 12 LEU N N 130.115 0.300 1 61 13 13 LYS H H 9.218 0.030 1 62 13 13 LYS HA H 3.634 0.030 1 63 13 13 LYS HB2 H 0.545 0.030 2 64 13 13 LYS HB3 H 0.715 0.030 2 65 13 13 LYS HD2 H 1.281 0.030 2 66 13 13 LYS HD3 H 1.235 0.030 2 67 13 13 LYS HE2 H 2.502 0.030 2 68 13 13 LYS HE3 H 2.560 0.030 2 69 13 13 LYS HG2 H 0.920 0.030 2 70 13 13 LYS HG3 H 0.983 0.030 2 71 13 13 LYS C C 171.704 0.300 1 72 13 13 LYS CA C 54.791 0.300 1 73 13 13 LYS CB C 30.504 0.300 1 74 13 13 LYS CD C 26.576 0.300 1 75 13 13 LYS CE C 38.902 0.300 1 76 13 13 LYS CG C 22.495 0.300 1 77 13 13 LYS N N 123.837 0.300 1 78 14 14 PHE H H 6.793 0.030 1 79 14 14 PHE HA H 4.719 0.030 1 80 14 14 PHE HB2 H 2.194 0.030 2 81 14 14 PHE HB3 H 3.188 0.030 2 82 14 14 PHE HD1 H 6.519 0.030 1 83 14 14 PHE HD2 H 6.519 0.030 1 84 14 14 PHE HE1 H 6.985 0.030 1 85 14 14 PHE HE2 H 6.985 0.030 1 86 14 14 PHE HZ H 7.050 0.030 1 87 14 14 PHE C C 170.817 0.300 1 88 14 14 PHE CA C 50.758 0.300 1 89 14 14 PHE CB C 40.732 0.300 1 90 14 14 PHE CD1 C 130.033 0.300 1 91 14 14 PHE CD2 C 130.033 0.300 1 92 14 14 PHE CE1 C 127.910 0.300 1 93 14 14 PHE CE2 C 127.910 0.300 1 94 14 14 PHE CZ C 126.833 0.300 1 95 14 14 PHE N N 111.439 0.300 1 96 15 15 ASP H H 8.236 0.030 1 97 15 15 ASP HA H 4.483 0.030 1 98 15 15 ASP HB2 H 2.777 0.030 2 99 15 15 ASP HB3 H 2.519 0.030 2 100 15 15 ASP C C 173.126 0.300 1 101 15 15 ASP CA C 52.298 0.300 1 102 15 15 ASP CB C 38.884 0.300 1 103 15 15 ASP N N 117.472 0.300 1 104 16 16 PHE H H 8.862 0.030 1 105 16 16 PHE HA H 4.920 0.030 1 106 16 16 PHE HB2 H 3.077 0.030 2 107 16 16 PHE HB3 H 2.684 0.030 2 108 16 16 PHE HD1 H 7.324 0.030 1 109 16 16 PHE HD2 H 7.324 0.030 1 110 16 16 PHE HE1 H 7.436 0.030 1 111 16 16 PHE HE2 H 7.436 0.030 1 112 16 16 PHE HZ H 7.573 0.030 1 113 16 16 PHE C C 169.749 0.300 1 114 16 16 PHE CA C 54.914 0.300 1 115 16 16 PHE CB C 40.026 0.300 1 116 16 16 PHE CD1 C 130.054 0.300 1 117 16 16 PHE CD2 C 130.054 0.300 1 118 16 16 PHE CE1 C 129.118 0.300 1 119 16 16 PHE CE2 C 129.118 0.300 1 120 16 16 PHE CZ C 127.566 0.300 1 121 16 16 PHE N N 121.339 0.300 1 122 17 17 GLN H H 7.861 0.030 1 123 17 17 GLN HA H 4.205 0.030 1 124 17 17 GLN HB2 H 1.744 0.030 2 125 17 17 GLN HB3 H 1.699 0.030 2 126 17 17 GLN HE21 H 7.492 0.030 2 127 17 17 GLN HE22 H 6.701 0.030 2 128 17 17 GLN HG2 H 2.136 0.030 2 129 17 17 GLN HG3 H 2.072 0.030 2 130 17 17 GLN C C 170.988 0.300 1 131 17 17 GLN CA C 51.128 0.300 1 132 17 17 GLN CB C 26.666 0.300 1 133 17 17 GLN CG C 30.820 0.300 1 134 17 17 GLN N N 127.372 0.300 1 135 17 17 GLN NE2 N 112.804 0.300 1 136 18 18 ALA H H 7.702 0.030 1 137 18 18 ALA HA H 3.930 0.030 1 138 18 18 ALA HB H 1.197 0.030 1 139 18 18 ALA C C 176.514 0.300 1 140 18 18 ALA CA C 50.443 0.300 1 141 18 18 ALA CB C 18.961 0.300 1 142 18 18 ALA N N 127.991 0.300 1 143 19 19 GLN H H 9.244 0.030 1 144 19 19 GLN HA H 4.343 0.030 1 145 19 19 GLN HB2 H 2.025 0.030 2 146 19 19 GLN HB3 H 2.225 0.030 2 147 19 19 GLN HE21 H 7.416 0.030 2 148 19 19 GLN HE22 H 6.716 0.030 2 149 19 19 GLN HG2 H 2.378 0.030 2 150 19 19 GLN HG3 H 2.240 0.030 2 151 19 19 GLN C C 172.470 0.300 1 152 19 19 GLN CA C 52.390 0.300 1 153 19 19 GLN CB C 27.728 0.300 1 154 19 19 GLN CG C 31.460 0.300 1 155 19 19 GLN N N 119.638 0.300 1 156 19 19 GLN NE2 N 112.743 0.300 1 157 20 20 SER H H 7.525 0.030 1 158 20 20 SER HA H 4.818 0.030 1 159 20 20 SER HB2 H 3.611 0.030 2 160 20 20 SER HB3 H 3.958 0.030 2 161 20 20 SER C C 171.069 0.300 1 162 20 20 SER CA C 53.689 0.300 1 163 20 20 SER CB C 61.808 0.300 1 164 20 20 SER N N 115.770 0.300 1 165 21 21 PRO HA H 4.409 0.030 1 166 21 21 PRO HB2 H 1.854 0.030 2 167 21 21 PRO HB3 H 2.359 0.030 2 168 21 21 PRO HD2 H 3.697 0.030 2 169 21 21 PRO HD3 H 3.775 0.030 2 170 21 21 PRO HG2 H 1.973 0.030 2 171 21 21 PRO HG3 H 1.903 0.030 2 172 21 21 PRO C C 174.303 0.300 1 173 21 21 PRO CA C 62.149 0.300 1 174 21 21 PRO CB C 29.596 0.300 1 175 21 21 PRO CD C 48.451 0.300 1 176 21 21 PRO CG C 24.873 0.300 1 177 22 22 LYS H H 7.653 0.030 1 178 22 22 LYS HA H 4.214 0.030 1 179 22 22 LYS HB2 H 1.585 0.030 2 180 22 22 LYS HB3 H 1.697 0.030 2 181 22 22 LYS HD2 H 1.477 0.030 1 182 22 22 LYS HD3 H 1.477 0.030 1 183 22 22 LYS HE2 H 2.768 0.030 2 184 22 22 LYS HG2 H 1.276 0.030 2 185 22 22 LYS HG3 H 1.337 0.030 2 186 22 22 LYS C C 174.578 0.300 1 187 22 22 LYS CA C 54.176 0.300 1 188 22 22 LYS CB C 30.385 0.300 1 189 22 22 LYS CD C 26.419 0.300 1 190 22 22 LYS CE C 39.291 0.300 1 191 22 22 LYS CG C 22.379 0.300 1 192 22 22 LYS N N 113.914 0.300 1 193 23 23 GLU H H 7.421 0.030 1 194 23 23 GLU HA H 4.784 0.030 1 195 23 23 GLU HB2 H 2.376 0.030 2 196 23 23 GLU HB3 H 2.192 0.030 2 197 23 23 GLU HG2 H 2.194 0.030 2 198 23 23 GLU HG3 H 1.908 0.030 2 199 23 23 GLU C C 172.870 0.300 1 200 23 23 GLU CA C 52.544 0.300 1 201 23 23 GLU CB C 29.854 0.300 1 202 23 23 GLU CG C 34.397 0.300 1 203 23 23 GLU N N 119.328 0.300 1 204 24 24 LEU H H 8.436 0.030 1 205 24 24 LEU HA H 4.548 0.030 1 206 24 24 LEU HB2 H 1.520 0.030 2 207 24 24 LEU HB3 H 1.367 0.030 2 208 24 24 LEU HD1 H 0.845 0.030 1 209 24 24 LEU HD2 H 0.771 0.030 1 210 24 24 LEU HG H 1.405 0.030 1 211 24 24 LEU C C 171.724 0.300 1 212 24 24 LEU CA C 50.842 0.300 1 213 24 24 LEU CB C 42.075 0.300 1 214 24 24 LEU CD1 C 22.772 0.300 2 215 24 24 LEU CD2 C 21.336 0.300 2 216 24 24 LEU CG C 24.407 0.300 1 217 24 24 LEU N N 122.113 0.300 1 218 25 25 THR H H 7.885 0.030 1 219 25 25 THR HA H 4.647 0.030 1 220 25 25 THR HB H 3.954 0.030 1 221 25 25 THR HG2 H 1.219 0.030 1 222 25 25 THR C C 172.734 0.300 1 223 25 25 THR CA C 60.764 0.300 1 224 25 25 THR CB C 66.861 0.300 1 225 25 25 THR CG2 C 20.011 0.300 1 226 25 25 THR N N 118.555 0.300 1 227 26 26 LEU H H 9.301 0.030 1 228 26 26 LEU HA H 4.519 0.030 1 229 26 26 LEU HB2 H 1.393 0.030 2 230 26 26 LEU HB3 H 1.259 0.030 2 231 26 26 LEU HD1 H 0.281 0.030 1 232 26 26 LEU HD2 H 0.117 0.030 1 233 26 26 LEU HG H 1.310 0.030 1 234 26 26 LEU C C 172.648 0.300 1 235 26 26 LEU CA C 51.108 0.300 1 236 26 26 LEU CB C 45.914 0.300 1 237 26 26 LEU CD1 C 23.840 0.300 2 238 26 26 LEU CD2 C 20.289 0.300 2 239 26 26 LEU CG C 23.239 0.300 1 240 26 26 LEU N N 129.847 0.300 1 241 27 27 GLN H H 9.185 0.030 1 242 27 27 GLN HA H 4.786 0.030 1 243 27 27 GLN HB2 H 1.891 0.030 2 244 27 27 GLN HB3 H 1.779 0.030 2 245 27 27 GLN HE21 H 7.591 0.030 2 246 27 27 GLN HE22 H 6.684 0.030 2 247 27 27 GLN HG2 H 2.218 0.030 1 248 27 27 GLN HG3 H 2.218 0.030 1 249 27 27 GLN C C 172.214 0.300 1 250 27 27 GLN CA C 50.974 0.300 1 251 27 27 GLN CB C 29.588 0.300 1 252 27 27 GLN CG C 32.239 0.300 1 253 27 27 GLN N N 122.577 0.300 1 254 27 27 GLN NE2 N 112.160 0.300 1 255 28 28 LYS H H 9.036 0.030 1 256 28 28 LYS HA H 3.112 0.030 1 257 28 28 LYS HB2 H 1.370 0.030 2 258 28 28 LYS HB3 H 1.499 0.030 2 259 28 28 LYS HD2 H 1.539 0.030 1 260 28 28 LYS HD3 H 1.539 0.030 1 261 28 28 LYS HE2 H 2.832 0.030 2 262 28 28 LYS HG2 H 0.961 0.030 1 263 28 28 LYS HG3 H 0.961 0.030 1 264 28 28 LYS C C 174.524 0.300 1 265 28 28 LYS CA C 56.054 0.300 1 266 28 28 LYS CB C 29.721 0.300 1 267 28 28 LYS CD C 27.121 0.300 1 268 28 28 LYS CE C 39.352 0.300 1 269 28 28 LYS CG C 21.742 0.300 1 270 28 28 LYS N N 121.958 0.300 1 271 29 29 GLY H H 8.640 0.030 1 272 29 29 GLY HA2 H 4.322 0.030 2 273 29 29 GLY HA3 H 3.247 0.030 2 274 29 29 GLY C C 171.546 0.300 1 275 29 29 GLY CA C 42.215 0.300 1 276 29 29 GLY N N 115.306 0.300 1 277 30 30 ASP H H 8.400 0.030 1 278 30 30 ASP HA H 4.474 0.030 1 279 30 30 ASP HB2 H 2.515 0.030 2 280 30 30 ASP HB3 H 1.875 0.030 2 281 30 30 ASP C C 172.352 0.300 1 282 30 30 ASP CA C 53.129 0.300 1 283 30 30 ASP CB C 38.720 0.300 1 284 30 30 ASP N N 122.731 0.300 1 285 31 31 ILE H H 8.345 0.030 1 286 31 31 ILE HA H 4.954 0.030 1 287 31 31 ILE HB H 1.865 0.030 1 288 31 31 ILE HD1 H 0.645 0.030 1 289 31 31 ILE HG12 H 1.480 0.030 1 290 31 31 ILE HG13 H 1.480 0.030 1 291 31 31 ILE HG2 H 0.611 0.030 1 292 31 31 ILE CA C 55.643 0.300 1 293 31 31 ILE CB C 34.941 0.300 1 294 31 31 ILE CD1 C 8.069 0.300 1 295 31 31 ILE CG1 C 24.279 0.300 1 296 31 31 ILE CG2 C 14.329 0.300 1 297 31 31 ILE N N 119.792 0.300 1 298 32 32 VAL H H 8.796 0.030 1 299 32 32 VAL HA H 4.836 0.030 1 300 32 32 VAL HB H 1.529 0.030 1 301 32 32 VAL HG1 H 0.227 0.030 1 302 32 32 VAL HG2 H 0.271 0.030 1 303 32 32 VAL C C 170.783 0.300 1 304 32 32 VAL CA C 55.225 0.300 1 305 32 32 VAL CB C 32.471 0.300 1 306 32 32 VAL CG1 C 19.456 0.300 2 307 32 32 VAL CG2 C 16.854 0.300 2 308 32 32 VAL N N 121.572 0.300 1 309 33 33 TYR H H 8.198 0.030 1 310 33 33 TYR HA H 4.854 0.030 1 311 33 33 TYR HB2 H 2.766 0.030 1 312 33 33 TYR HB3 H 2.766 0.030 1 313 33 33 TYR HD1 H 6.799 0.030 1 314 33 33 TYR HD2 H 6.799 0.030 1 315 33 33 TYR HE1 H 6.583 0.030 1 316 33 33 TYR HE2 H 6.583 0.030 1 317 33 33 TYR C C 170.783 0.300 1 318 33 33 TYR CA C 54.030 0.300 1 319 33 33 TYR CB C 37.293 0.300 1 320 33 33 TYR CD1 C 130.175 0.300 1 321 33 33 TYR CD2 C 130.175 0.300 1 322 33 33 TYR CE1 C 115.395 0.300 1 323 33 33 TYR CE2 C 115.395 0.300 1 324 33 33 TYR N N 120.204 0.300 1 325 34 34 ILE H H 8.986 0.030 1 326 34 34 ILE HA H 3.843 0.030 1 327 34 34 ILE HB H 1.955 0.030 1 328 34 34 ILE HD1 H 0.739 0.030 1 329 34 34 ILE HG12 H 0.956 0.030 2 330 34 34 ILE HG13 H 1.635 0.030 2 331 34 34 ILE HG2 H 0.744 0.030 1 332 34 34 ILE CA C 60.276 0.300 1 333 34 34 ILE CB C 36.230 0.300 1 334 34 34 ILE CD1 C 12.176 0.300 1 335 34 34 ILE CG1 C 25.320 0.300 1 336 34 34 ILE CG2 C 15.906 0.300 1 337 35 35 HIS H H 9.717 0.030 1 338 35 35 HIS HA H 4.756 0.030 1 339 35 35 HIS HB2 H 3.035 0.030 2 340 35 35 HIS HB3 H 2.894 0.030 2 341 35 35 HIS HD2 H 6.817 0.030 1 342 35 35 HIS HE1 H 7.738 0.030 1 343 35 35 HIS C C 173.111 0.300 1 344 35 35 HIS CA C 54.822 0.300 1 345 35 35 HIS CB C 30.385 0.300 1 346 35 35 HIS CD2 C 114.072 0.300 1 347 35 35 HIS CE1 C 135.911 0.300 1 348 35 35 HIS N N 127.343 0.300 1 349 36 36 LYS H H 7.959 0.030 1 350 36 36 LYS HA H 4.574 0.030 1 351 36 36 LYS HB2 H 1.897 0.030 2 352 36 36 LYS HB3 H 1.653 0.030 2 353 36 36 LYS HD2 H 1.505 0.030 1 354 36 36 LYS HD3 H 1.505 0.030 1 355 36 36 LYS HE2 H 2.784 0.030 1 356 36 36 LYS HE3 H 2.784 0.030 1 357 36 36 LYS HG2 H 1.215 0.030 2 358 36 36 LYS HG3 H 1.004 0.030 2 359 36 36 LYS C C 171.277 0.300 1 360 36 36 LYS CA C 52.975 0.300 1 361 36 36 LYS CB C 32.774 0.300 1 362 36 36 LYS CD C 26.931 0.300 1 363 36 36 LYS CE C 39.353 0.300 1 364 36 36 LYS CG C 21.087 0.300 1 365 36 36 LYS N N 114.378 0.300 1 366 37 37 GLU H H 8.515 0.030 1 367 37 37 GLU HA H 4.446 0.030 1 368 37 37 GLU HB2 H 1.869 0.030 2 369 37 37 GLU HB3 H 1.831 0.030 2 370 37 37 GLU HG2 H 2.072 0.030 2 371 37 37 GLU HG3 H 1.984 0.030 2 372 37 37 GLU C C 173.494 0.300 1 373 37 37 GLU CA C 53.375 0.300 1 374 37 37 GLU CB C 27.010 0.300 1 375 37 37 GLU CG C 33.706 0.300 1 376 37 37 GLU N N 121.184 0.300 1 377 38 38 VAL H H 8.301 0.030 1 378 38 38 VAL HA H 3.747 0.030 1 379 38 38 VAL HB H 1.808 0.030 1 380 38 38 VAL HG1 H 0.719 0.030 1 381 38 38 VAL HG2 H 0.745 0.030 1 382 38 38 VAL C C 173.193 0.300 1 383 38 38 VAL CA C 62.149 0.300 1 384 38 38 VAL CB C 30.119 0.300 1 385 38 38 VAL CG1 C 19.189 0.300 2 386 38 38 VAL CG2 C 18.132 0.300 2 387 38 38 VAL N N 126.135 0.300 1 388 39 39 ASP H H 8.238 0.030 1 389 39 39 ASP HA H 4.346 0.030 1 390 39 39 ASP HB2 H 2.990 0.030 1 391 39 39 ASP HB3 H 2.990 0.030 1 392 39 39 ASP C C 172.793 0.300 1 393 39 39 ASP CA C 50.820 0.300 1 394 39 39 ASP CB C 37.762 0.300 1 395 39 39 ASP N N 118.245 0.300 1 396 40 40 LYS H H 8.087 0.030 1 397 40 40 LYS HA H 3.979 0.030 1 398 40 40 LYS HB2 H 1.704 0.030 1 399 40 40 LYS HB3 H 1.704 0.030 1 400 40 40 LYS HD2 H 1.565 0.030 1 401 40 40 LYS HD3 H 1.565 0.030 1 402 40 40 LYS HE2 H 2.894 0.030 1 403 40 40 LYS HE3 H 2.894 0.030 1 404 40 40 LYS HG2 H 1.314 0.030 1 405 40 40 LYS HG3 H 1.314 0.030 1 406 40 40 LYS C C 174.215 0.300 1 407 40 40 LYS CA C 55.807 0.300 1 408 40 40 LYS CB C 29.119 0.300 1 409 40 40 LYS CD C 26.237 0.300 1 410 40 40 LYS CE C 39.551 0.300 1 411 40 40 LYS CG C 21.742 0.300 1 412 40 40 LYS N N 114.069 0.300 1 413 41 41 ASN H H 8.682 0.030 1 414 41 41 ASN HA H 4.622 0.030 1 415 41 41 ASN HB2 H 2.275 0.030 2 416 41 41 ASN HB3 H 2.600 0.030 2 417 41 41 ASN HD21 H 6.755 0.030 2 418 41 41 ASN HD22 H 7.653 0.030 2 419 41 41 ASN C C 173.344 0.300 1 420 41 41 ASN CA C 51.171 0.300 1 421 41 41 ASN CB C 38.355 0.300 1 422 41 41 ASN N N 114.378 0.300 1 423 41 41 ASN ND2 N 114.120 0.300 1 424 42 42 TRP H H 8.125 0.030 1 425 42 42 TRP HA H 4.729 0.030 1 426 42 42 TRP HB2 H 2.761 0.030 2 427 42 42 TRP HB3 H 2.683 0.030 2 428 42 42 TRP HD1 H 7.679 0.030 1 429 42 42 TRP HE1 H 10.048 0.030 1 430 42 42 TRP HE3 H 6.950 0.030 1 431 42 42 TRP HH2 H 7.216 0.030 1 432 42 42 TRP HZ2 H 7.373 0.030 1 433 42 42 TRP HZ3 H 6.540 0.030 1 434 42 42 TRP C C 171.163 0.300 1 435 42 42 TRP CA C 54.451 0.300 1 436 42 42 TRP CB C 29.588 0.300 1 437 42 42 TRP CD1 C 126.679 0.300 1 438 42 42 TRP CE3 C 117.451 0.300 1 439 42 42 TRP CH2 C 122.075 0.300 1 440 42 42 TRP CZ2 C 111.943 0.300 1 441 42 42 TRP CZ3 C 117.473 0.300 1 442 42 42 TRP N N 122.038 0.300 1 443 42 42 TRP NE1 N 128.862 0.300 1 444 43 43 LEU H H 8.629 0.030 1 445 43 43 LEU HA H 4.663 0.030 1 446 43 43 LEU HB2 H 0.860 0.030 1 447 43 43 LEU HB3 H 0.860 0.030 1 448 43 43 LEU HD1 H 0.778 0.030 1 449 43 43 LEU HD2 H 0.823 0.030 1 450 43 43 LEU HG H 1.210 0.030 1 451 43 43 LEU C C 171.025 0.300 1 452 43 43 LEU CA C 50.143 0.300 1 453 43 43 LEU CB C 42.207 0.300 1 454 43 43 LEU CD1 C 23.970 0.300 2 455 43 43 LEU CD2 C 20.918 0.300 2 456 43 43 LEU CG C 24.344 0.300 1 457 43 43 LEU N N 121.649 0.300 1 458 44 44 GLU H H 8.566 0.030 1 459 44 44 GLU HA H 4.847 0.030 1 460 44 44 GLU HB2 H 1.636 0.030 2 461 44 44 GLU HB3 H 1.907 0.030 2 462 44 44 GLU HG2 H 1.900 0.030 2 463 44 44 GLU HG3 H 1.838 0.030 2 464 44 44 GLU C C 173.981 0.300 1 465 44 44 GLU CA C 51.497 0.300 1 466 44 44 GLU CB C 30.385 0.300 1 467 44 44 GLU CG C 35.029 0.300 1 468 44 44 GLU N N 118.400 0.300 1 469 45 45 GLY H H 9.245 0.030 1 470 45 45 GLY HA2 H 4.281 0.030 1 471 45 45 GLY HA3 H 4.281 0.030 1 472 45 45 GLY C C 166.893 0.300 1 473 45 45 GLY CA C 43.858 0.300 1 474 45 45 GLY N N 114.842 0.300 1 475 46 46 GLU H H 8.845 0.030 1 476 46 46 GLU HA H 5.752 0.030 1 477 46 46 GLU HB2 H 1.841 0.030 2 478 46 46 GLU HB3 H 2.012 0.030 2 479 46 46 GLU HG2 H 2.196 0.030 2 480 46 46 GLU HG3 H 2.108 0.030 2 481 46 46 GLU C C 172.473 0.300 1 482 46 46 GLU CA C 51.343 0.300 1 483 46 46 GLU CB C 32.550 0.300 1 484 46 46 GLU CG C 33.605 0.300 1 485 46 46 GLU N N 118.480 0.300 1 486 47 47 HIS H H 8.796 0.030 1 487 47 47 HIS HA H 4.686 0.030 1 488 47 47 HIS HB2 H 2.880 0.030 1 489 47 47 HIS HB3 H 2.880 0.030 1 490 47 47 HIS HD2 H 7.223 0.030 1 491 47 47 HIS HE1 H 7.551 0.030 1 492 47 47 HIS CA C 53.926 0.300 1 493 47 47 HIS CB C 32.173 0.300 1 494 47 47 HIS CD2 C 117.425 0.300 1 495 47 47 HIS CE1 C 135.104 0.300 1 496 47 47 HIS N N 122.378 0.300 1 497 48 48 HIS HA H 4.097 0.030 1 498 48 48 HIS HB2 H 3.184 0.030 2 499 48 48 HIS HB3 H 2.648 0.030 2 500 48 48 HIS HE1 H 8.074 0.030 1 501 48 48 HIS CA C 53.092 0.300 1 502 48 48 HIS CB C 25.674 0.300 1 503 48 48 HIS CE1 C 134.375 0.300 1 504 49 49 GLY HA2 H 3.639 0.030 2 505 49 49 GLY HA3 H 4.054 0.030 2 506 49 49 GLY C C 171.190 0.300 1 507 49 49 GLY CA C 42.962 0.300 1 508 50 50 ARG H H 7.944 0.030 1 509 50 50 ARG HA H 4.549 0.030 1 510 50 50 ARG HB2 H 1.828 0.030 2 511 50 50 ARG HB3 H 1.947 0.030 2 512 50 50 ARG HD2 H 3.264 0.030 1 513 50 50 ARG HD3 H 3.264 0.030 1 514 50 50 ARG HG2 H 1.688 0.030 2 515 50 50 ARG HG3 H 1.597 0.030 2 516 50 50 ARG C C 171.368 0.300 1 517 50 50 ARG CA C 52.452 0.300 1 518 50 50 ARG CB C 29.581 0.300 1 519 50 50 ARG CD C 41.049 0.300 1 520 50 50 ARG CG C 24.540 0.300 1 521 50 50 ARG N N 121.494 0.300 1 522 51 51 LEU H H 8.277 0.030 1 523 51 51 LEU HA H 5.266 0.030 1 524 51 51 LEU HB2 H 1.547 0.030 2 525 51 51 LEU HB3 H 1.463 0.030 2 526 51 51 LEU HD1 H 0.663 0.030 1 527 51 51 LEU HD2 H 0.653 0.030 1 528 51 51 LEU HG H 1.445 0.030 1 529 51 51 LEU C C 175.057 0.300 1 530 51 51 LEU CA C 50.898 0.300 1 531 51 51 LEU CB C 42.149 0.300 1 532 51 51 LEU CD1 C 22.016 0.300 2 533 51 51 LEU CD2 C 22.149 0.300 2 534 51 51 LEU CG C 25.184 0.300 1 535 51 51 LEU N N 123.814 0.300 1 536 52 52 GLY H H 8.837 0.030 1 537 52 52 GLY HA2 H 4.001 0.030 2 538 52 52 GLY HA3 H 4.299 0.030 2 539 52 52 GLY C C 168.611 0.300 1 540 52 52 GLY CA C 43.536 0.300 1 541 52 52 GLY N N 110.975 0.300 1 542 53 53 ILE H H 8.332 0.030 1 543 53 53 ILE HA H 5.831 0.030 1 544 53 53 ILE HB H 1.753 0.030 1 545 53 53 ILE HD1 H 0.051 0.030 1 546 53 53 ILE HG12 H 1.184 0.030 2 547 53 53 ILE HG13 H 0.691 0.030 2 548 53 53 ILE HG2 H 0.682 0.030 1 549 53 53 ILE C C 173.356 0.300 1 550 53 53 ILE CA C 56.952 0.300 1 551 53 53 ILE CB C 38.889 0.300 1 552 53 53 ILE CD1 C 10.067 0.300 1 553 53 53 ILE CG1 C 23.725 0.300 1 554 53 53 ILE CG2 C 14.710 0.300 1 555 53 53 ILE N N 112.676 0.300 1 556 54 54 PHE H H 8.144 0.030 1 557 54 54 PHE HA H 4.688 0.030 1 558 54 54 PHE HB2 H 2.176 0.030 2 559 54 54 PHE HB3 H 3.147 0.030 2 560 54 54 PHE HD1 H 6.609 0.030 1 561 54 54 PHE HD2 H 6.609 0.030 1 562 54 54 PHE HE1 H 6.692 0.030 1 563 54 54 PHE HE2 H 6.692 0.030 1 564 54 54 PHE HZ H 6.576 0.030 1 565 54 54 PHE C C 168.782 0.300 1 566 54 54 PHE CA C 51.749 0.300 1 567 54 54 PHE CB C 34.636 0.300 1 568 54 54 PHE CD1 C 130.297 0.300 1 569 54 54 PHE CD2 C 130.297 0.300 1 570 54 54 PHE CE1 C 127.763 0.300 1 571 54 54 PHE CE2 C 127.763 0.300 1 572 54 54 PHE CZ C 124.974 0.300 1 573 54 54 PHE N N 115.461 0.300 1 574 55 55 PRO HA H 3.656 0.030 1 575 55 55 PRO HB2 H 1.148 0.030 2 576 55 55 PRO HB3 H 1.399 0.030 2 577 55 55 PRO HD2 H 1.761 0.030 2 578 55 55 PRO HD3 H 1.896 0.030 2 579 55 55 PRO HG2 H 0.471 0.030 2 580 55 55 PRO HG3 H 0.354 0.030 2 581 55 55 PRO C C 175.608 0.300 1 582 55 55 PRO CA C 59.742 0.300 1 583 55 55 PRO CB C 29.057 0.300 1 584 55 55 PRO CD C 47.301 0.300 1 585 55 55 PRO CG C 25.388 0.300 1 586 56 56 ALA H H 7.837 0.030 1 587 56 56 ALA HA H 3.763 0.030 1 588 56 56 ALA HB H 1.096 0.030 1 589 56 56 ALA C C 176.451 0.300 1 590 56 56 ALA CA C 51.904 0.300 1 591 56 56 ALA CB C 15.375 0.300 1 592 56 56 ALA N N 125.052 0.300 1 593 57 57 ASN H H 8.448 0.030 1 594 57 57 ASN HA H 4.689 0.030 1 595 57 57 ASN HB2 H 2.727 0.030 2 596 57 57 ASN HB3 H 2.982 0.030 2 597 57 57 ASN HD21 H 7.454 0.030 2 598 57 57 ASN HD22 H 6.640 0.030 2 599 57 57 ASN C C 172.966 0.300 1 600 57 57 ASN CA C 50.820 0.300 1 601 57 57 ASN CB C 34.104 0.300 1 602 57 57 ASN N N 111.016 0.300 1 603 57 57 ASN ND2 N 110.812 0.300 1 604 58 58 TYR H H 7.618 0.030 1 605 58 58 TYR HA H 4.614 0.030 1 606 58 58 TYR HB2 H 3.191 0.030 2 607 58 58 TYR HB3 H 3.123 0.030 2 608 58 58 TYR HD1 H 6.977 0.030 1 609 58 58 TYR HD2 H 6.977 0.030 1 610 58 58 TYR HE1 H 7.014 0.030 1 611 58 58 TYR HE2 H 7.014 0.030 1 612 58 58 TYR C C 172.675 0.300 1 613 58 58 TYR CA C 55.715 0.300 1 614 58 58 TYR CB C 35.511 0.300 1 615 58 58 TYR CD1 C 128.899 0.300 1 616 58 58 TYR CD2 C 128.899 0.300 1 617 58 58 TYR CE1 C 116.244 0.300 1 618 58 58 TYR CE2 C 116.244 0.300 1 619 58 58 TYR N N 118.245 0.300 1 620 59 59 VAL H H 7.204 0.030 1 621 59 59 VAL HA H 5.237 0.030 1 622 59 59 VAL HB H 1.719 0.030 1 623 59 59 VAL HG1 H 0.678 0.030 1 624 59 59 VAL HG2 H 0.724 0.030 1 625 59 59 VAL C C 171.384 0.300 1 626 59 59 VAL CA C 55.992 0.300 1 627 59 59 VAL CB C 31.956 0.300 1 628 59 59 VAL CG1 C 19.813 0.300 2 629 59 59 VAL CG2 C 15.640 0.300 2 630 59 59 VAL N N 109.428 0.300 1 631 60 60 GLU H H 8.704 0.030 1 632 60 60 GLU HA H 4.579 0.030 1 633 60 60 GLU HB2 H 1.841 0.030 2 634 60 60 GLU HB3 H 1.632 0.030 2 635 60 60 GLU HG2 H 2.044 0.030 2 636 60 60 GLU HG3 H 1.968 0.030 2 637 60 60 GLU C C 172.870 0.300 1 638 60 60 GLU CA C 51.158 0.300 1 639 60 60 GLU CB C 29.455 0.300 1 640 60 60 GLU CG C 33.015 0.300 1 641 60 60 GLU N N 121.494 0.300 1 642 61 61 VAL H H 8.732 0.030 1 643 61 61 VAL HA H 3.770 0.030 1 644 61 61 VAL HB H 1.894 0.030 1 645 61 61 VAL HG1 H 0.882 0.030 1 646 61 61 VAL HG2 H 0.826 0.030 1 647 61 61 VAL C C 173.801 0.300 1 648 61 61 VAL CA C 61.602 0.300 1 649 61 61 VAL CB C 29.100 0.300 1 650 61 61 VAL CG1 C 19.090 0.300 2 651 61 61 VAL CG2 C 19.090 0.300 2 652 61 61 VAL N N 126.753 0.300 1 653 62 62 LEU H H 8.437 0.030 1 654 62 62 LEU HA H 4.324 0.030 1 655 62 62 LEU HB2 H 1.447 0.030 1 656 62 62 LEU HB3 H 1.447 0.030 1 657 62 62 LEU HD2 H 0.638 0.030 1 658 62 62 LEU HG H 1.433 0.030 1 659 62 62 LEU C C 174.477 0.300 1 660 62 62 LEU CA C 52.298 0.300 1 661 62 62 LEU CB C 38.916 0.300 1 662 62 62 LEU CD1 C 22.443 0.300 2 663 62 62 LEU CD2 C 19.973 0.300 2 664 62 62 LEU CG C 24.386 0.300 1 665 62 62 LEU N N 128.766 0.300 1 666 63 63 SER H H 8.269 0.030 1 667 63 63 SER HA H 4.450 0.030 1 668 63 63 SER HB2 H 3.799 0.030 1 669 63 63 SER HB3 H 3.799 0.030 1 670 63 63 SER C C 171.846 0.300 1 671 63 63 SER CA C 55.530 0.300 1 672 63 63 SER CB C 61.252 0.300 1 673 63 63 SER N N 116.389 0.300 1 674 64 64 GLY H H 8.155 0.030 1 675 64 64 GLY HA2 H 4.043 0.030 2 676 64 64 GLY HA3 H 4.127 0.030 2 677 64 64 GLY C C 169.178 0.300 1 678 64 64 GLY CA C 42.075 0.300 1 679 64 64 GLY N N 110.511 0.300 1 680 65 65 PRO HA H 4.405 0.030 1 681 65 65 PRO HB2 H 2.219 0.030 2 682 65 65 PRO HB3 H 1.904 0.030 2 683 65 65 PRO HD2 H 3.559 0.030 1 684 65 65 PRO HD3 H 3.559 0.030 1 685 65 65 PRO HG2 H 1.943 0.030 1 686 65 65 PRO HG3 H 1.943 0.030 1 687 65 65 PRO C C 174.742 0.300 1 688 65 65 PRO CA C 60.664 0.300 1 689 65 65 PRO CB C 29.588 0.300 1 690 65 65 PRO CD C 47.162 0.300 1 691 65 65 PRO CG C 24.577 0.300 1 692 66 66 SER H H 8.418 0.030 1 693 66 66 SER HA H 4.404 0.030 1 694 66 66 SER HB2 H 3.846 0.030 1 695 66 66 SER HB3 H 3.846 0.030 1 696 66 66 SER C C 171.971 0.300 1 697 66 66 SER CA C 55.644 0.300 1 698 66 66 SER CB C 61.054 0.300 1 699 66 66 SER N N 116.172 0.300 1 700 67 67 SER H H 8.213 0.030 1 701 67 67 SER HA H 4.443 0.030 1 702 67 67 SER HB2 H 3.816 0.030 1 703 67 67 SER HB3 H 3.816 0.030 1 704 67 67 SER C C 171.245 0.300 1 705 67 67 SER CA C 55.776 0.300 1 706 67 67 SER CB C 61.516 0.300 1 707 67 67 SER N N 117.682 0.300 1 708 68 68 GLY H H 7.943 0.030 1 709 68 68 GLY HA2 H 3.700 0.030 1 710 68 68 GLY HA3 H 3.700 0.030 1 711 68 68 GLY C C 176.369 0.300 1 712 68 68 GLY CA C 43.586 0.300 1 713 68 68 GLY N N 116.708 0.300 1 stop_ save_