data_11154 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of Sorbin and SH3 domain-containing protein 1 ; _BMRB_accession_number 11154 _BMRB_flat_file_name bmr11154.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 Abe H. . . 2 Miyamoto K. . . 3 Tochio N. . . 4 Saito K. . . 5 Kigawa T. . . 6 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" 370 "13C chemical shifts" 277 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the SH3 domain of Sorbin and SH3 domain-containing protein 1 ; _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 Abe H. . . 2 Miyamoto K. . . 3 Tochio N. . . 4 Saito K. . . 5 Kigawa T. . . 6 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 'Sorbin and SH3 domain-containing protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; GSSGSSGGEAIAKFNFNGDT QVEMSFRKGERITLLRQVDE NWYEGRIPGTSRQGIFPITY VDVISGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 GLU 10 ALA 11 ILE 12 ALA 13 LYS 14 PHE 15 ASN 16 PHE 17 ASN 18 GLY 19 ASP 20 THR 21 GLN 22 VAL 23 GLU 24 MET 25 SER 26 PHE 27 ARG 28 LYS 29 GLY 30 GLU 31 ARG 32 ILE 33 THR 34 LEU 35 LEU 36 ARG 37 GLN 38 VAL 39 ASP 40 GLU 41 ASN 42 TRP 43 TYR 44 GLU 45 GLY 46 ARG 47 ILE 48 PRO 49 GLY 50 THR 51 SER 52 ARG 53 GLN 54 GLY 55 ILE 56 PHE 57 PRO 58 ILE 59 THR 60 TYR 61 VAL 62 ASP 63 VAL 64 ILE 65 SER 66 GLY 67 PRO 68 SER 69 SER 70 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 2ECZ "Solution Structure Of The Sh3 Domain Of Sorbin And Sh3 Domain-Containing Protein 1" 100.00 70 100.00 100.00 9.32e-42 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_name $entity_1 'cell free synthesis' . Escherichia coli . P050613-24 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.75mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.75 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_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 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 0.9747 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 '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 'SH3 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 4.554 0.030 1 2 6 6 SER HB2 H 3.937 0.030 1 3 6 6 SER HB3 H 3.937 0.030 1 4 6 6 SER C C 174.683 0.300 1 5 6 6 SER CA C 58.429 0.300 1 6 6 6 SER CB C 64.018 0.300 1 7 7 7 GLY H H 8.357 0.030 1 8 7 7 GLY HA2 H 4.064 0.030 2 9 7 7 GLY HA3 H 3.980 0.030 2 10 7 7 GLY C C 173.906 0.300 1 11 7 7 GLY CA C 45.305 0.300 1 12 7 7 GLY N N 110.492 0.300 1 13 8 8 GLY H H 8.211 0.030 1 14 8 8 GLY HA2 H 4.082 0.030 2 15 8 8 GLY HA3 H 4.007 0.030 2 16 8 8 GLY C C 172.959 0.300 1 17 8 8 GLY CA C 44.832 0.300 1 18 8 8 GLY N N 107.819 0.300 1 19 9 9 GLU H H 8.557 0.030 1 20 9 9 GLU HA H 5.205 0.030 1 21 9 9 GLU HB2 H 1.952 0.030 2 22 9 9 GLU HB3 H 1.861 0.030 2 23 9 9 GLU HG2 H 2.223 0.030 2 24 9 9 GLU HG3 H 2.152 0.030 2 25 9 9 GLU C C 174.197 0.300 1 26 9 9 GLU CA C 55.326 0.300 1 27 9 9 GLU CB C 34.230 0.300 1 28 9 9 GLU CG C 37.121 0.300 1 29 9 9 GLU N N 120.712 0.300 1 30 10 10 ALA H H 9.211 0.030 1 31 10 10 ALA HA H 5.212 0.030 1 32 10 10 ALA HB H 1.036 0.030 1 33 10 10 ALA C C 174.659 0.300 1 34 10 10 ALA CA C 50.005 0.300 1 35 10 10 ALA CB C 24.036 0.300 1 36 10 10 ALA N N 124.385 0.300 1 37 11 11 ILE H H 8.615 0.030 1 38 11 11 ILE HA H 4.703 0.030 1 39 11 11 ILE HB H 1.624 0.030 1 40 11 11 ILE HD1 H 0.779 0.030 1 41 11 11 ILE HG12 H 1.394 0.030 2 42 11 11 ILE HG13 H 0.978 0.030 2 43 11 11 ILE HG2 H 0.756 0.030 1 44 11 11 ILE C C 176.480 0.300 1 45 11 11 ILE CA C 58.971 0.300 1 46 11 11 ILE CB C 40.601 0.300 1 47 11 11 ILE CD1 C 12.460 0.300 1 48 11 11 ILE CG1 C 27.709 0.300 1 49 11 11 ILE CG2 C 16.821 0.300 1 50 11 11 ILE N N 118.673 0.300 1 51 12 12 ALA H H 8.637 0.030 1 52 12 12 ALA HA H 4.140 0.030 1 53 12 12 ALA HB H 1.404 0.030 1 54 12 12 ALA C C 178.496 0.300 1 55 12 12 ALA CA C 53.468 0.300 1 56 12 12 ALA CB C 21.274 0.300 1 57 12 12 ALA N N 129.474 0.300 1 58 13 13 LYS H H 9.381 0.030 1 59 13 13 LYS HA H 4.094 0.030 1 60 13 13 LYS HB2 H 1.050 0.030 1 61 13 13 LYS HB3 H 1.050 0.030 1 62 13 13 LYS HD2 H 1.380 0.030 2 63 13 13 LYS HD3 H 1.346 0.030 2 64 13 13 LYS HE2 H 2.687 0.030 1 65 13 13 LYS HE3 H 2.687 0.030 1 66 13 13 LYS HG2 H 0.838 0.030 2 67 13 13 LYS HG3 H 0.751 0.030 2 68 13 13 LYS C C 174.319 0.300 1 69 13 13 LYS CA C 57.119 0.300 1 70 13 13 LYS CB C 33.969 0.300 1 71 13 13 LYS CD C 29.111 0.300 1 72 13 13 LYS CE C 41.495 0.300 1 73 13 13 LYS CG C 24.412 0.300 1 74 13 13 LYS N N 126.828 0.300 1 75 14 14 PHE H H 7.348 0.030 1 76 14 14 PHE HA H 4.983 0.030 1 77 14 14 PHE HB2 H 2.610 0.030 2 78 14 14 PHE HB3 H 3.445 0.030 2 79 14 14 PHE HD1 H 6.945 0.030 1 80 14 14 PHE HD2 H 6.945 0.030 1 81 14 14 PHE HE1 H 7.182 0.030 1 82 14 14 PHE HE2 H 7.182 0.030 1 83 14 14 PHE HZ H 7.204 0.030 1 84 14 14 PHE C C 174.197 0.300 1 85 14 14 PHE CA C 53.928 0.300 1 86 14 14 PHE CB C 43.679 0.300 1 87 14 14 PHE CD1 C 132.338 0.300 1 88 14 14 PHE CD2 C 132.338 0.300 1 89 14 14 PHE CE1 C 131.003 0.300 1 90 14 14 PHE CE2 C 131.003 0.300 1 91 14 14 PHE CZ C 129.587 0.300 1 92 14 14 PHE N N 113.592 0.300 1 93 15 15 ASN H H 8.696 0.030 1 94 15 15 ASN HA H 4.803 0.030 1 95 15 15 ASN HB2 H 2.884 0.030 1 96 15 15 ASN HB3 H 2.884 0.030 1 97 15 15 ASN HD21 H 7.870 0.030 2 98 15 15 ASN HD22 H 6.933 0.030 2 99 15 15 ASN C C 174.634 0.300 1 100 15 15 ASN CA C 53.665 0.300 1 101 15 15 ASN CB C 38.425 0.300 1 102 15 15 ASN N N 116.426 0.300 1 103 15 15 ASN ND2 N 113.857 0.300 1 104 16 16 PHE H H 8.532 0.030 1 105 16 16 PHE HA H 4.788 0.030 1 106 16 16 PHE HB2 H 1.096 0.030 2 107 16 16 PHE HB3 H 2.456 0.030 2 108 16 16 PHE HD1 H 6.857 0.030 1 109 16 16 PHE HD2 H 6.857 0.030 1 110 16 16 PHE HE1 H 7.292 0.030 1 111 16 16 PHE HE2 H 7.292 0.030 1 112 16 16 PHE HZ H 7.733 0.030 1 113 16 16 PHE C C 173.177 0.300 1 114 16 16 PHE CA C 56.326 0.300 1 115 16 16 PHE CB C 42.360 0.300 1 116 16 16 PHE CD1 C 132.633 0.300 1 117 16 16 PHE CD2 C 132.633 0.300 1 118 16 16 PHE CE1 C 131.159 0.300 1 119 16 16 PHE CE2 C 131.159 0.300 1 120 16 16 PHE CZ C 129.842 0.300 1 121 16 16 PHE N N 123.030 0.300 1 122 17 17 ASN H H 8.096 0.030 1 123 17 17 ASN HA H 4.641 0.030 1 124 17 17 ASN HB2 H 2.447 0.030 1 125 17 17 ASN HB3 H 2.447 0.030 1 126 17 17 ASN HD21 H 6.941 0.030 2 127 17 17 ASN HD22 H 7.571 0.030 2 128 17 17 ASN C C 173.420 0.300 1 129 17 17 ASN CA C 51.212 0.300 1 130 17 17 ASN CB C 39.474 0.300 1 131 17 17 ASN N N 126.920 0.300 1 132 17 17 ASN ND2 N 115.188 0.300 1 133 18 18 GLY H H 8.050 0.030 1 134 18 18 GLY HA2 H 3.234 0.030 2 135 18 18 GLY HA3 H 3.702 0.030 2 136 18 18 GLY C C 173.575 0.300 1 137 18 18 GLY CA C 45.795 0.300 1 138 18 18 GLY N N 111.295 0.300 1 139 19 19 ASP H H 8.844 0.030 1 140 19 19 ASP HA H 4.715 0.030 1 141 19 19 ASP HB2 H 2.764 0.030 1 142 19 19 ASP HB3 H 2.764 0.030 1 143 19 19 ASP C C 176.485 0.300 1 144 19 19 ASP CA C 55.479 0.300 1 145 19 19 ASP CB C 43.287 0.300 1 146 19 19 ASP N N 122.416 0.300 1 147 20 20 THR H H 7.590 0.030 1 148 20 20 THR HA H 4.655 0.030 1 149 20 20 THR HB H 4.436 0.030 1 150 20 20 THR HG2 H 1.205 0.030 1 151 20 20 THR C C 176.167 0.300 1 152 20 20 THR CA C 60.473 0.300 1 153 20 20 THR CB C 71.972 0.300 1 154 20 20 THR CG2 C 21.504 0.300 1 155 20 20 THR N N 108.754 0.300 1 156 21 21 GLN H H 8.750 0.030 1 157 21 21 GLN HA H 4.215 0.030 1 158 21 21 GLN HB2 H 2.179 0.030 1 159 21 21 GLN HB3 H 2.179 0.030 1 160 21 21 GLN HE21 H 6.880 0.030 2 161 21 21 GLN HE22 H 7.608 0.030 2 162 21 21 GLN HG2 H 2.483 0.030 1 163 21 21 GLN HG3 H 2.483 0.030 1 164 21 21 GLN C C 176.626 0.300 1 165 21 21 GLN CA C 58.369 0.300 1 166 21 21 GLN CB C 28.781 0.300 1 167 21 21 GLN CG C 33.974 0.300 1 168 21 21 GLN N N 118.564 0.300 1 169 21 21 GLN NE2 N 112.423 0.300 1 170 22 22 VAL H H 7.295 0.030 1 171 22 22 VAL HA H 4.278 0.030 1 172 22 22 VAL HB H 2.230 0.030 1 173 22 22 VAL HG1 H 0.944 0.030 1 174 22 22 VAL HG2 H 0.878 0.030 1 175 22 22 VAL C C 176.626 0.300 1 176 22 22 VAL CA C 62.446 0.300 1 177 22 22 VAL CB C 32.021 0.300 1 178 22 22 VAL CG1 C 21.198 0.300 2 179 22 22 VAL CG2 C 19.978 0.300 2 180 22 22 VAL N N 111.713 0.300 1 181 23 23 GLU H H 7.483 0.030 1 182 23 23 GLU HA H 4.937 0.030 1 183 23 23 GLU HB2 H 2.381 0.030 2 184 23 23 GLU HB3 H 2.182 0.030 2 185 23 23 GLU HG2 H 2.321 0.030 2 186 23 23 GLU HG3 H 2.146 0.030 2 187 23 23 GLU C C 175.533 0.300 1 188 23 23 GLU CA C 55.621 0.300 1 189 23 23 GLU CB C 31.789 0.300 1 190 23 23 GLU CG C 37.401 0.300 1 191 23 23 GLU N N 121.779 0.300 1 192 24 24 MET H H 9.173 0.030 1 193 24 24 MET HA H 4.601 0.030 1 194 24 24 MET HB2 H 1.436 0.030 2 195 24 24 MET HB3 H 2.253 0.030 2 196 24 24 MET HE H 1.778 0.030 1 197 24 24 MET HG2 H 2.410 0.030 2 198 24 24 MET HG3 H 2.496 0.030 2 199 24 24 MET C C 172.910 0.300 1 200 24 24 MET CA C 54.275 0.300 1 201 24 24 MET CB C 35.130 0.300 1 202 24 24 MET CE C 17.033 0.300 1 203 24 24 MET CG C 31.388 0.300 1 204 24 24 MET N N 125.718 0.300 1 205 25 25 SER H H 7.912 0.030 1 206 25 25 SER HA H 4.456 0.030 1 207 25 25 SER HB2 H 3.734 0.030 2 208 25 25 SER HB3 H 4.075 0.030 2 209 25 25 SER C C 174.853 0.300 1 210 25 25 SER CA C 58.833 0.300 1 211 25 25 SER CB C 64.309 0.300 1 212 25 25 SER N N 118.397 0.300 1 213 26 26 PHE H H 8.866 0.030 1 214 26 26 PHE HA H 4.589 0.030 1 215 26 26 PHE HB2 H 3.238 0.030 2 216 26 26 PHE HB3 H 3.072 0.030 2 217 26 26 PHE HD1 H 6.849 0.030 1 218 26 26 PHE HD2 H 6.849 0.030 1 219 26 26 PHE HE1 H 7.121 0.030 1 220 26 26 PHE HE2 H 7.121 0.030 1 221 26 26 PHE HZ H 6.659 0.030 1 222 26 26 PHE C C 174.974 0.300 1 223 26 26 PHE CA C 56.749 0.300 1 224 26 26 PHE CB C 39.925 0.300 1 225 26 26 PHE CD1 C 133.029 0.300 1 226 26 26 PHE CD2 C 133.029 0.300 1 227 26 26 PHE CE1 C 131.520 0.300 1 228 26 26 PHE CE2 C 131.520 0.300 1 229 26 26 PHE CZ C 128.094 0.300 1 230 26 26 PHE N N 116.443 0.300 1 231 27 27 ARG H H 10.250 0.030 1 232 27 27 ARG HA H 5.047 0.030 1 233 27 27 ARG HB2 H 1.727 0.030 2 234 27 27 ARG HB3 H 1.949 0.030 2 235 27 27 ARG HD2 H 3.180 0.030 1 236 27 27 ARG HD3 H 3.180 0.030 1 237 27 27 ARG HG2 H 1.719 0.030 2 238 27 27 ARG HG3 H 1.678 0.030 2 239 27 27 ARG C C 175.509 0.300 1 240 27 27 ARG CA C 53.482 0.300 1 241 27 27 ARG CB C 32.890 0.300 1 242 27 27 ARG CD C 42.975 0.300 1 243 27 27 ARG CG C 27.297 0.300 1 244 27 27 ARG N N 121.925 0.300 1 245 28 28 LYS H H 8.400 0.030 1 246 28 28 LYS HA H 3.328 0.030 1 247 28 28 LYS HB2 H 1.657 0.030 2 248 28 28 LYS HB3 H 1.485 0.030 2 249 28 28 LYS HD2 H 1.706 0.030 2 250 28 28 LYS HD3 H 1.655 0.030 2 251 28 28 LYS HE2 H 2.989 0.030 1 252 28 28 LYS HE3 H 2.989 0.030 1 253 28 28 LYS HG2 H 1.156 0.030 1 254 28 28 LYS HG3 H 1.156 0.030 1 255 28 28 LYS C C 176.747 0.300 1 256 28 28 LYS CA C 58.560 0.300 1 257 28 28 LYS CB C 32.971 0.300 1 258 28 28 LYS CD C 29.654 0.300 1 259 28 28 LYS CE C 42.152 0.300 1 260 28 28 LYS CG C 24.614 0.300 1 261 28 28 LYS N N 120.049 0.300 1 262 29 29 GLY H H 8.778 0.030 1 263 29 29 GLY HA2 H 3.457 0.030 2 264 29 29 GLY HA3 H 4.406 0.030 2 265 29 29 GLY C C 174.440 0.300 1 266 29 29 GLY CA C 44.830 0.300 1 267 29 29 GLY N N 114.232 0.300 1 268 30 30 GLU H H 7.921 0.030 1 269 30 30 GLU HA H 4.190 0.030 1 270 30 30 GLU HB2 H 1.876 0.030 2 271 30 30 GLU HB3 H 2.080 0.030 2 272 30 30 GLU HG2 H 2.730 0.030 2 273 30 30 GLU HG3 H 2.058 0.030 2 274 30 30 GLU C C 174.562 0.300 1 275 30 30 GLU CA C 59.607 0.300 1 276 30 30 GLU CB C 30.738 0.300 1 277 30 30 GLU CG C 39.826 0.300 1 278 30 30 GLU N N 119.555 0.300 1 279 31 31 ARG H H 8.154 0.030 1 280 31 31 ARG HA H 4.739 0.030 1 281 31 31 ARG HB2 H 1.814 0.030 2 282 31 31 ARG HB3 H 1.685 0.030 2 283 31 31 ARG HD2 H 3.161 0.030 1 284 31 31 ARG HD3 H 3.161 0.030 1 285 31 31 ARG HG2 H 1.584 0.030 2 286 31 31 ARG HG3 H 1.454 0.030 2 287 31 31 ARG C C 174.950 0.300 1 288 31 31 ARG CA C 55.656 0.300 1 289 31 31 ARG CB C 31.292 0.300 1 290 31 31 ARG CD C 43.313 0.300 1 291 31 31 ARG CG C 28.160 0.300 1 292 31 31 ARG N N 122.481 0.300 1 293 32 32 ILE H H 8.701 0.030 1 294 32 32 ILE HA H 4.146 0.030 1 295 32 32 ILE HB H 0.941 0.030 1 296 32 32 ILE HD1 H -0.760 0.030 1 297 32 32 ILE HG12 H 0.135 0.030 2 298 32 32 ILE HG13 H 0.854 0.030 2 299 32 32 ILE HG2 H 0.472 0.030 1 300 32 32 ILE C C 175.824 0.300 1 301 32 32 ILE CA C 60.325 0.300 1 302 32 32 ILE CB C 43.647 0.300 1 303 32 32 ILE CD1 C 13.873 0.300 1 304 32 32 ILE CG1 C 27.413 0.300 1 305 32 32 ILE CG2 C 18.412 0.300 1 306 32 32 ILE N N 123.161 0.300 1 307 33 33 THR H H 9.134 0.030 1 308 33 33 THR HA H 4.591 0.030 1 309 33 33 THR HB H 3.984 0.030 1 310 33 33 THR HG2 H 1.237 0.030 1 311 33 33 THR C C 174.246 0.300 1 312 33 33 THR CA C 62.805 0.300 1 313 33 33 THR CB C 69.831 0.300 1 314 33 33 THR CG2 C 22.022 0.300 1 315 33 33 THR N N 123.933 0.300 1 316 34 34 LEU H H 8.483 0.030 1 317 34 34 LEU HA H 4.335 0.030 1 318 34 34 LEU HB2 H 1.557 0.030 2 319 34 34 LEU HB3 H 1.088 0.030 2 320 34 34 LEU HD1 H 0.491 0.030 1 321 34 34 LEU HD2 H 0.420 0.030 1 322 34 34 LEU HG H 1.311 0.030 1 323 34 34 LEU C C 175.849 0.300 1 324 34 34 LEU CA C 54.849 0.300 1 325 34 34 LEU CB C 41.640 0.300 1 326 34 34 LEU CD1 C 25.566 0.300 2 327 34 34 LEU CD2 C 23.142 0.300 2 328 34 34 LEU CG C 26.651 0.300 1 329 34 34 LEU N N 127.279 0.300 1 330 35 35 LEU H H 9.159 0.030 1 331 35 35 LEU HA H 4.590 0.030 1 332 35 35 LEU HB2 H 1.487 0.030 1 333 35 35 LEU HB3 H 1.487 0.030 1 334 35 35 LEU HD1 H 0.758 0.030 1 335 35 35 LEU HD2 H 0.833 0.030 1 336 35 35 LEU HG H 1.548 0.030 1 337 35 35 LEU C C 177.257 0.300 1 338 35 35 LEU CA C 56.185 0.300 1 339 35 35 LEU CB C 43.037 0.300 1 340 35 35 LEU CD1 C 25.319 0.300 2 341 35 35 LEU CD2 C 22.791 0.300 2 342 35 35 LEU CG C 27.388 0.300 1 343 35 35 LEU N N 122.971 0.300 1 344 36 36 ARG H H 7.609 0.030 1 345 36 36 ARG HA H 4.584 0.030 1 346 36 36 ARG HB2 H 1.704 0.030 2 347 36 36 ARG HB3 H 2.121 0.030 2 348 36 36 ARG HD2 H 3.055 0.030 2 349 36 36 ARG HD3 H 3.157 0.030 2 350 36 36 ARG HG2 H 1.228 0.030 2 351 36 36 ARG HG3 H 1.486 0.030 2 352 36 36 ARG C C 173.542 0.300 1 353 36 36 ARG CA C 55.474 0.300 1 354 36 36 ARG CB C 31.996 0.300 1 355 36 36 ARG CD C 43.502 0.300 1 356 36 36 ARG CG C 26.509 0.300 1 357 36 36 ARG N N 111.826 0.300 1 358 37 37 GLN H H 9.026 0.030 1 359 37 37 GLN HA H 4.039 0.030 1 360 37 37 GLN HB2 H 1.725 0.030 2 361 37 37 GLN HB3 H 1.930 0.030 2 362 37 37 GLN HE21 H 6.730 0.030 2 363 37 37 GLN HE22 H 7.108 0.030 2 364 37 37 GLN HG2 H 2.183 0.030 2 365 37 37 GLN HG3 H 1.984 0.030 2 366 37 37 GLN C C 175.436 0.300 1 367 37 37 GLN CA C 56.407 0.300 1 368 37 37 GLN CB C 28.534 0.300 1 369 37 37 GLN CG C 33.774 0.300 1 370 37 37 GLN N N 123.949 0.300 1 371 37 37 GLN NE2 N 110.555 0.300 1 372 38 38 VAL H H 8.549 0.030 1 373 38 38 VAL HA H 3.736 0.030 1 374 38 38 VAL HB H 1.848 0.030 1 375 38 38 VAL HG1 H 0.819 0.030 1 376 38 38 VAL HG2 H 0.770 0.030 1 377 38 38 VAL C C 175.752 0.300 1 378 38 38 VAL CA C 64.951 0.300 1 379 38 38 VAL CB C 32.768 0.300 1 380 38 38 VAL CG1 C 20.578 0.300 2 381 38 38 VAL CG2 C 21.476 0.300 2 382 38 38 VAL N N 129.024 0.300 1 383 39 39 ASP H H 8.130 0.030 1 384 39 39 ASP HA H 4.478 0.030 1 385 39 39 ASP HB2 H 3.118 0.030 2 386 39 39 ASP HB3 H 3.019 0.030 2 387 39 39 ASP C C 175.387 0.300 1 388 39 39 ASP CA C 53.456 0.300 1 389 39 39 ASP CB C 40.216 0.300 1 390 39 39 ASP N N 118.779 0.300 1 391 40 40 GLU H H 8.805 0.030 1 392 40 40 GLU HA H 3.918 0.030 1 393 40 40 GLU HB2 H 2.009 0.030 1 394 40 40 GLU HB3 H 2.009 0.030 1 395 40 40 GLU HG2 H 2.285 0.030 1 396 40 40 GLU HG3 H 2.285 0.030 1 397 40 40 GLU C C 176.260 0.300 1 398 40 40 GLU CA C 59.318 0.300 1 399 40 40 GLU CB C 29.440 0.300 1 400 40 40 GLU CG C 36.189 0.300 1 401 40 40 GLU N N 114.505 0.300 1 402 41 41 ASN H H 8.800 0.030 1 403 41 41 ASN HA H 4.930 0.030 1 404 41 41 ASN HB2 H 2.439 0.030 2 405 41 41 ASN HB3 H 2.699 0.030 2 406 41 41 ASN HD21 H 7.732 0.030 2 407 41 41 ASN HD22 H 6.938 0.030 2 408 41 41 ASN C C 175.339 0.300 1 409 41 41 ASN CA C 54.033 0.300 1 410 41 41 ASN CB C 42.208 0.300 1 411 41 41 ASN N N 114.305 0.300 1 412 41 41 ASN ND2 N 115.171 0.300 1 413 42 42 TRP H H 8.303 0.030 1 414 42 42 TRP HA H 4.988 0.030 1 415 42 42 TRP HB2 H 2.848 0.030 2 416 42 42 TRP HB3 H 2.807 0.030 2 417 42 42 TRP HD1 H 8.056 0.030 1 418 42 42 TRP HE1 H 10.174 0.030 1 419 42 42 TRP HE3 H 7.171 0.030 1 420 42 42 TRP HH2 H 7.311 0.030 1 421 42 42 TRP HZ2 H 7.433 0.030 1 422 42 42 TRP HZ3 H 6.863 0.030 1 423 42 42 TRP C C 175.169 0.300 1 424 42 42 TRP CA C 57.187 0.300 1 425 42 42 TRP CB C 31.206 0.300 1 426 42 42 TRP CD1 C 129.965 0.300 1 427 42 42 TRP CE3 C 120.188 0.300 1 428 42 42 TRP CH2 C 124.762 0.300 1 429 42 42 TRP CZ2 C 114.597 0.300 1 430 42 42 TRP CZ3 C 120.370 0.300 1 431 42 42 TRP N N 121.574 0.300 1 432 42 42 TRP NE1 N 129.526 0.300 1 433 43 43 TYR H H 8.731 0.030 1 434 43 43 TYR HA H 4.969 0.030 1 435 43 43 TYR HB2 H 1.862 0.030 2 436 43 43 TYR HB3 H 2.563 0.030 2 437 43 43 TYR HD1 H 6.944 0.030 1 438 43 43 TYR HD2 H 6.944 0.030 1 439 43 43 TYR HE1 H 6.684 0.030 1 440 43 43 TYR HE2 H 6.684 0.030 1 441 43 43 TYR C C 173.736 0.300 1 442 43 43 TYR CA C 56.326 0.300 1 443 43 43 TYR CB C 43.382 0.300 1 444 43 43 TYR CD1 C 132.338 0.300 1 445 43 43 TYR CD2 C 132.338 0.300 1 446 43 43 TYR CE1 C 118.339 0.300 1 447 43 43 TYR CE2 C 118.339 0.300 1 448 43 43 TYR N N 122.598 0.300 1 449 44 44 GLU H H 8.914 0.030 1 450 44 44 GLU HA H 5.003 0.030 1 451 44 44 GLU HB2 H 1.663 0.030 2 452 44 44 GLU HB3 H 2.122 0.030 2 453 44 44 GLU HG2 H 2.205 0.030 1 454 44 44 GLU HG3 H 2.205 0.030 1 455 44 44 GLU C C 176.432 0.300 1 456 44 44 GLU CA C 54.915 0.300 1 457 44 44 GLU CB C 32.679 0.300 1 458 44 44 GLU CG C 36.777 0.300 1 459 44 44 GLU N N 117.908 0.300 1 460 45 45 GLY H H 9.362 0.030 1 461 45 45 GLY HA2 H 4.005 0.030 2 462 45 45 GLY HA3 H 5.130 0.030 2 463 45 45 GLY C C 169.559 0.300 1 464 45 45 GLY CA C 45.851 0.300 1 465 45 45 GLY N N 114.569 0.300 1 466 46 46 ARG H H 8.849 0.030 1 467 46 46 ARG HA H 5.450 0.030 1 468 46 46 ARG HB2 H 1.744 0.030 2 469 46 46 ARG HB3 H 2.053 0.030 2 470 46 46 ARG HD2 H 3.260 0.030 1 471 46 46 ARG HD3 H 3.260 0.030 1 472 46 46 ARG HG2 H 1.469 0.030 1 473 46 46 ARG HG3 H 1.469 0.030 1 474 46 46 ARG C C 174.173 0.300 1 475 46 46 ARG CA C 54.432 0.300 1 476 46 46 ARG CB C 34.588 0.300 1 477 46 46 ARG CD C 43.543 0.300 1 478 46 46 ARG CG C 26.473 0.300 1 479 46 46 ARG N N 115.128 0.300 1 480 47 47 ILE H H 7.827 0.030 1 481 47 47 ILE HA H 4.999 0.030 1 482 47 47 ILE HB H 2.167 0.030 1 483 47 47 ILE HD1 H 0.697 0.030 1 484 47 47 ILE HG12 H 1.295 0.030 2 485 47 47 ILE HG13 H 1.599 0.030 2 486 47 47 ILE HG2 H 1.069 0.030 1 487 47 47 ILE C C 175.287 0.300 1 488 47 47 ILE CA C 57.030 0.300 1 489 47 47 ILE CB C 36.130 0.300 1 490 47 47 ILE CD1 C 11.535 0.300 1 491 47 47 ILE CG1 C 26.398 0.300 1 492 47 47 ILE CG2 C 16.133 0.300 1 493 47 47 ILE N N 124.254 0.300 1 494 48 48 PRO HA H 4.336 0.030 1 495 48 48 PRO HB2 H 2.328 0.030 2 496 48 48 PRO HB3 H 1.967 0.030 2 497 48 48 PRO HD2 H 4.005 0.030 2 498 48 48 PRO HD3 H 4.111 0.030 2 499 48 48 PRO HG2 H 2.023 0.030 2 500 48 48 PRO HG3 H 1.965 0.030 2 501 48 48 PRO CA C 63.966 0.300 1 502 48 48 PRO CB C 32.216 0.300 1 503 48 48 PRO CD C 52.149 0.300 1 504 48 48 PRO CG C 27.470 0.300 1 505 49 49 GLY HA2 H 3.801 0.030 2 506 49 49 GLY HA3 H 4.234 0.030 2 507 49 49 GLY C C 174.124 0.300 1 508 49 49 GLY CA C 45.326 0.300 1 509 50 50 THR H H 7.813 0.030 1 510 50 50 THR HA H 5.080 0.030 1 511 50 50 THR HB H 4.454 0.030 1 512 50 50 THR HG2 H 1.208 0.030 1 513 50 50 THR C C 174.382 0.300 1 514 50 50 THR CA C 60.159 0.300 1 515 50 50 THR CB C 73.000 0.300 1 516 50 50 THR CG2 C 21.318 0.300 1 517 50 50 THR N N 109.430 0.300 1 518 51 51 SER HA H 4.745 0.030 1 519 51 51 SER HB2 H 3.989 0.030 2 520 51 51 SER HB3 H 4.127 0.030 2 521 51 51 SER C C 174.926 0.300 1 522 51 51 SER CA C 57.842 0.300 1 523 51 51 SER CB C 63.397 0.300 1 524 52 52 ARG H H 8.715 0.030 1 525 52 52 ARG HA H 4.306 0.030 1 526 52 52 ARG HB2 H 1.960 0.030 2 527 52 52 ARG HB3 H 1.833 0.030 2 528 52 52 ARG HD2 H 3.493 0.030 2 529 52 52 ARG HD3 H 3.068 0.030 2 530 52 52 ARG HE H 7.786 0.030 1 531 52 52 ARG HG2 H 1.805 0.030 2 532 52 52 ARG HG3 H 1.748 0.030 2 533 52 52 ARG C C 174.853 0.300 1 534 52 52 ARG CA C 57.033 0.300 1 535 52 52 ARG CB C 30.788 0.300 1 536 52 52 ARG CD C 44.950 0.300 1 537 52 52 ARG CG C 25.782 0.300 1 538 52 52 ARG N N 124.112 0.300 1 539 52 52 ARG NE N 83.698 0.300 1 540 53 53 GLN H H 8.109 0.030 1 541 53 53 GLN HA H 5.455 0.030 1 542 53 53 GLN HB2 H 1.876 0.030 2 543 53 53 GLN HB3 H 2.260 0.030 2 544 53 53 GLN HE21 H 6.715 0.030 2 545 53 53 GLN HE22 H 7.554 0.030 2 546 53 53 GLN HG2 H 2.489 0.030 2 547 53 53 GLN HG3 H 2.420 0.030 2 548 53 53 GLN C C 174.562 0.300 1 549 53 53 GLN CA C 55.742 0.300 1 550 53 53 GLN CB C 31.151 0.300 1 551 53 53 GLN CG C 32.874 0.300 1 552 53 53 GLN N N 124.202 0.300 1 553 53 53 GLN NE2 N 112.333 0.300 1 554 54 54 GLY H H 8.878 0.030 1 555 54 54 GLY HA2 H 4.455 0.030 2 556 54 54 GLY HA3 H 4.576 0.030 2 557 54 54 GLY C C 172.327 0.300 1 558 54 54 GLY CA C 45.393 0.300 1 559 54 54 GLY N N 112.389 0.300 1 560 55 55 ILE H H 8.760 0.030 1 561 55 55 ILE HA H 6.127 0.030 1 562 55 55 ILE HB H 1.967 0.030 1 563 55 55 ILE HD1 H 0.170 0.030 1 564 55 55 ILE HG12 H 1.402 0.030 2 565 55 55 ILE HG13 H 0.959 0.030 2 566 55 55 ILE HG2 H 0.854 0.030 1 567 55 55 ILE C C 176.699 0.300 1 568 55 55 ILE CA C 60.161 0.300 1 569 55 55 ILE CB C 41.273 0.300 1 570 55 55 ILE CD1 C 12.955 0.300 1 571 55 55 ILE CG1 C 26.188 0.300 1 572 55 55 ILE CG2 C 17.417 0.300 1 573 55 55 ILE N N 113.920 0.300 1 574 56 56 PHE H H 8.787 0.030 1 575 56 56 PHE HA H 5.002 0.030 1 576 56 56 PHE HB2 H 3.550 0.030 2 577 56 56 PHE HB3 H 2.470 0.030 2 578 56 56 PHE HD1 H 7.121 0.030 1 579 56 56 PHE HD2 H 7.121 0.030 1 580 56 56 PHE HE1 H 6.858 0.030 1 581 56 56 PHE HE2 H 6.858 0.030 1 582 56 56 PHE HZ H 6.700 0.030 1 583 56 56 PHE C C 171.106 0.300 1 584 56 56 PHE CA C 55.786 0.300 1 585 56 56 PHE CB C 38.922 0.300 1 586 56 56 PHE CD1 C 133.668 0.300 1 587 56 56 PHE CD2 C 133.668 0.300 1 588 56 56 PHE CE1 C 130.124 0.300 1 589 56 56 PHE CE2 C 130.124 0.300 1 590 56 56 PHE CZ C 127.943 0.300 1 591 56 56 PHE N N 116.394 0.300 1 592 57 57 PRO HA H 4.122 0.030 1 593 57 57 PRO HB2 H 1.496 0.030 1 594 57 57 PRO HB3 H 1.496 0.030 1 595 57 57 PRO HD2 H 1.971 0.030 2 596 57 57 PRO HD3 H 2.309 0.030 2 597 57 57 PRO HG2 H 0.960 0.030 2 598 57 57 PRO HG3 H 0.489 0.030 2 599 57 57 PRO C C 178.884 0.300 1 600 57 57 PRO CA C 61.231 0.300 1 601 57 57 PRO CB C 31.088 0.300 1 602 57 57 PRO CD C 50.140 0.300 1 603 57 57 PRO CG C 27.242 0.300 1 604 58 58 ILE H H 7.996 0.030 1 605 58 58 ILE HA H 3.804 0.030 1 606 58 58 ILE HB H 1.475 0.030 1 607 58 58 ILE HD1 H 0.356 0.030 1 608 58 58 ILE HG12 H 1.046 0.030 2 609 58 58 ILE HG13 H 0.447 0.030 2 610 58 58 ILE HG2 H 0.747 0.030 1 611 58 58 ILE C C 176.869 0.300 1 612 58 58 ILE CA C 62.780 0.300 1 613 58 58 ILE CB C 39.077 0.300 1 614 58 58 ILE CD1 C 13.367 0.300 1 615 58 58 ILE CG1 C 28.199 0.300 1 616 58 58 ILE CG2 C 17.364 0.300 1 617 58 58 ILE N N 124.492 0.300 1 618 59 59 THR H H 7.540 0.030 1 619 59 59 THR HA H 4.247 0.030 1 620 59 59 THR HB H 4.435 0.030 1 621 59 59 THR HG2 H 1.295 0.030 1 622 59 59 THR C C 175.849 0.300 1 623 59 59 THR CA C 63.056 0.300 1 624 59 59 THR CB C 69.254 0.300 1 625 59 59 THR CG2 C 22.460 0.300 1 626 59 59 THR N N 107.442 0.300 1 627 60 60 TYR H H 7.988 0.030 1 628 60 60 TYR HA H 4.705 0.030 1 629 60 60 TYR HB2 H 3.364 0.030 2 630 60 60 TYR HB3 H 3.667 0.030 2 631 60 60 TYR HD1 H 7.203 0.030 1 632 60 60 TYR HD2 H 7.203 0.030 1 633 60 60 TYR HE1 H 6.973 0.030 1 634 60 60 TYR HE2 H 6.973 0.030 1 635 60 60 TYR C C 175.557 0.300 1 636 60 60 TYR CA C 59.430 0.300 1 637 60 60 TYR CB C 38.467 0.300 1 638 60 60 TYR CD1 C 132.509 0.300 1 639 60 60 TYR CD2 C 132.509 0.300 1 640 60 60 TYR CE1 C 118.316 0.300 1 641 60 60 TYR CE2 C 118.316 0.300 1 642 60 60 TYR N N 119.233 0.300 1 643 61 61 VAL H H 7.718 0.030 1 644 61 61 VAL HA H 5.051 0.030 1 645 61 61 VAL HB H 1.753 0.030 1 646 61 61 VAL HG1 H 0.475 0.030 1 647 61 61 VAL HG2 H 0.908 0.030 1 648 61 61 VAL C C 173.104 0.300 1 649 61 61 VAL CA C 58.549 0.300 1 650 61 61 VAL CB C 35.375 0.300 1 651 61 61 VAL CG1 C 22.649 0.300 2 652 61 61 VAL CG2 C 19.036 0.300 2 653 61 61 VAL N N 109.634 0.300 1 654 62 62 ASP H H 8.561 0.030 1 655 62 62 ASP HA H 5.035 0.030 1 656 62 62 ASP HB2 H 2.328 0.030 2 657 62 62 ASP HB3 H 2.554 0.030 2 658 62 62 ASP C C 175.824 0.300 1 659 62 62 ASP CA C 53.016 0.300 1 660 62 62 ASP CB C 42.764 0.300 1 661 62 62 ASP N N 119.563 0.300 1 662 63 63 VAL H H 8.961 0.030 1 663 63 63 VAL HA H 3.864 0.030 1 664 63 63 VAL HB H 2.004 0.030 1 665 63 63 VAL HG1 H 0.919 0.030 1 666 63 63 VAL HG2 H 0.845 0.030 1 667 63 63 VAL C C 176.480 0.300 1 668 63 63 VAL CA C 64.203 0.300 1 669 63 63 VAL CB C 31.831 0.300 1 670 63 63 VAL CG1 C 22.157 0.300 2 671 63 63 VAL CG2 C 21.215 0.300 2 672 63 63 VAL N N 125.156 0.300 1 673 64 64 ILE H H 8.725 0.030 1 674 64 64 ILE HA H 4.224 0.030 1 675 64 64 ILE HB H 1.831 0.030 1 676 64 64 ILE HD1 H 0.722 0.030 1 677 64 64 ILE HG12 H 1.356 0.030 2 678 64 64 ILE HG13 H 1.024 0.030 2 679 64 64 ILE HG2 H 0.866 0.030 1 680 64 64 ILE C C 176.310 0.300 1 681 64 64 ILE CA C 61.560 0.300 1 682 64 64 ILE CB C 38.590 0.300 1 683 64 64 ILE CD1 C 12.639 0.300 1 684 64 64 ILE CG1 C 27.297 0.300 1 685 64 64 ILE CG2 C 17.570 0.300 1 686 64 64 ILE N N 127.724 0.300 1 687 65 65 SER H H 8.198 0.030 1 688 65 65 SER HA H 4.592 0.030 1 689 65 65 SER HB2 H 3.883 0.030 1 690 65 65 SER HB3 H 3.883 0.030 1 691 65 65 SER C C 173.967 0.300 1 692 65 65 SER CA C 57.948 0.300 1 693 65 65 SER CB C 64.390 0.300 1 694 65 65 SER N N 117.786 0.300 1 695 66 66 GLY H H 8.407 0.030 1 696 66 66 GLY HA2 H 4.221 0.030 2 697 66 66 GLY HA3 H 4.040 0.030 2 698 66 66 GLY C C 171.766 0.300 1 699 66 66 GLY CA C 44.546 0.300 1 700 66 66 GLY N N 110.257 0.300 1 701 67 67 PRO HA H 4.434 0.030 1 702 67 67 PRO HB2 H 2.241 0.030 2 703 67 67 PRO HB3 H 1.995 0.030 2 704 67 67 PRO HD2 H 3.553 0.030 2 705 67 67 PRO HD3 H 3.668 0.030 2 706 67 67 PRO HG2 H 2.050 0.030 2 707 67 67 PRO HG3 H 1.946 0.030 2 708 67 67 PRO CA C 63.261 0.300 1 709 67 67 PRO CB C 32.187 0.300 1 710 67 67 PRO CD C 49.641 0.300 1 711 67 67 PRO CG C 27.237 0.300 1 stop_ save_