data_11219 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first SH3 domain of human sorbin and Sh3 domain-containing protein 1 ; _BMRB_accession_number 11219 _BMRB_flat_file_name bmr11219.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 Nagashima T. . . 3 Hayashi F. . . 4 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" 399 "13C chemical shifts" 295 "15N chemical shifts" 63 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 first SH3 domain of human 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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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 'Sorbin and SH3 domain-containing protein 1' $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 68 _Mol_residue_sequence ; GSSGSSGRPARAKFDFKAQT LKELPLQKGDIVYIYKQIDQ NWYEGEHHGRVGIFPRTYIE LLSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 PRO 10 ALA 11 ARG 12 ALA 13 LYS 14 PHE 15 ASP 16 PHE 17 LYS 18 ALA 19 GLN 20 THR 21 LEU 22 LYS 23 GLU 24 LEU 25 PRO 26 LEU 27 GLN 28 LYS 29 GLY 30 ASP 31 ILE 32 VAL 33 TYR 34 ILE 35 TYR 36 LYS 37 GLN 38 ILE 39 ASP 40 GLN 41 ASN 42 TRP 43 TYR 44 GLU 45 GLY 46 GLU 47 HIS 48 HIS 49 GLY 50 ARG 51 VAL 52 GLY 53 ILE 54 PHE 55 PRO 56 ARG 57 THR 58 TYR 59 ILE 60 GLU 61 LEU 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 2015-01-31 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 2DL3 "Solution Structure Of The First Sh3 Domain Of Human Sorbin And Sh3 Domain-Containing Protein 1" 100.00 68 100.00 100.00 2.35e-41 PDB 4LNP "The First Sh3 Domain From Cap/ponsin In Complex With Proline Rich Peptide From Vinculin" 80.88 61 100.00 100.00 2.08e-32 GB KFP25985 "Sorbin and SH3 domain-containing protein 1, partial [Colius striatus]" 80.88 96 98.18 100.00 6.24e-32 GB KFV06230 "Sorbin and SH3 domain-containing protein 1, partial [Tauraco erythrolophus]" 80.88 96 98.18 100.00 6.04e-32 GB KFZ48496 "Sorbin and SH3 domain-containing protein 1, partial [Podiceps cristatus]" 80.88 96 98.18 100.00 6.73e-32 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 P050613-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.00mM 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 1.00 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address '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 Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Sorbin and SH3 domain-containing protein 1' _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 H H 6.800 0.030 1 2 6 6 SER HA H 4.517 0.030 1 3 6 6 SER HB2 H 3.824 0.030 2 4 6 6 SER HB3 H 3.841 0.030 2 5 6 6 SER CA C 58.331 0.300 1 6 6 6 SER CB C 64.000 0.300 1 7 7 7 GLY H H 8.319 0.030 1 8 7 7 GLY HA2 H 4.242 0.030 2 9 7 7 GLY HA3 H 3.939 0.030 2 10 7 7 GLY C C 173.185 0.300 1 11 7 7 GLY CA C 44.957 0.300 1 12 7 7 GLY N N 108.830 0.300 1 13 8 8 ARG H H 8.454 0.030 1 14 8 8 ARG HA H 4.982 0.030 1 15 8 8 ARG HB2 H 1.858 0.030 2 16 8 8 ARG HB3 H 1.795 0.030 2 17 8 8 ARG HD2 H 3.208 0.030 1 18 8 8 ARG HD3 H 3.208 0.030 1 19 8 8 ARG HG2 H 1.750 0.030 1 20 8 8 ARG HG3 H 1.750 0.030 1 21 8 8 ARG C C 174.125 0.300 1 22 8 8 ARG CA C 53.122 0.300 1 23 8 8 ARG CB C 31.645 0.300 1 24 8 8 ARG CD C 43.816 0.300 1 25 8 8 ARG CG C 26.584 0.300 1 26 8 8 ARG N N 121.264 0.300 1 27 9 9 PRO HA H 4.501 0.030 1 28 9 9 PRO HB2 H 1.941 0.030 2 29 9 9 PRO HB3 H 1.729 0.030 2 30 9 9 PRO HD2 H 3.869 0.030 2 31 9 9 PRO HD3 H 3.984 0.030 2 32 9 9 PRO HG2 H 2.088 0.030 1 33 9 9 PRO HG3 H 2.088 0.030 1 34 9 9 PRO C C 175.993 0.300 1 35 9 9 PRO CA C 62.618 0.300 1 36 9 9 PRO CB C 32.314 0.300 1 37 9 9 PRO CD C 50.825 0.300 1 38 9 9 PRO CG C 27.484 0.300 1 39 10 10 ALA H H 8.897 0.030 1 40 10 10 ALA HA H 4.741 0.030 1 41 10 10 ALA HB H 1.110 0.030 1 42 10 10 ALA C C 173.546 0.300 1 43 10 10 ALA CA C 50.942 0.300 1 44 10 10 ALA CB C 23.675 0.300 1 45 10 10 ALA N N 124.157 0.300 1 46 11 11 ARG H H 8.838 0.030 1 47 11 11 ARG HA H 5.386 0.030 1 48 11 11 ARG HB2 H 1.668 0.030 2 49 11 11 ARG HB3 H 1.433 0.030 2 50 11 11 ARG HD2 H 3.137 0.030 2 51 11 11 ARG HD3 H 3.110 0.030 2 52 11 11 ARG HG2 H 1.330 0.030 1 53 11 11 ARG HG3 H 1.330 0.030 1 54 11 11 ARG C C 176.292 0.300 1 55 11 11 ARG CA C 53.263 0.300 1 56 11 11 ARG CB C 34.413 0.300 1 57 11 11 ARG CD C 43.494 0.300 1 58 11 11 ARG CG C 27.049 0.300 1 59 11 11 ARG N N 119.089 0.300 1 60 12 12 ALA H H 9.101 0.030 1 61 12 12 ALA HA H 4.610 0.030 1 62 12 12 ALA HB H 1.369 0.030 1 63 12 12 ALA C C 178.147 0.300 1 64 12 12 ALA CA C 52.212 0.300 1 65 12 12 ALA CB C 18.719 0.300 1 66 12 12 ALA N N 127.831 0.300 1 67 13 13 LYS H H 9.343 0.030 1 68 13 13 LYS HA H 3.819 0.030 1 69 13 13 LYS HB2 H 0.927 0.030 2 70 13 13 LYS HB3 H 0.774 0.030 2 71 13 13 LYS HD2 H 1.394 0.030 2 72 13 13 LYS HD3 H 1.331 0.030 2 73 13 13 LYS HE2 H 2.683 0.030 2 74 13 13 LYS HE3 H 2.662 0.030 2 75 13 13 LYS HG2 H 0.924 0.030 1 76 13 13 LYS HG3 H 0.924 0.030 1 77 13 13 LYS C C 174.300 0.300 1 78 13 13 LYS CA C 57.391 0.300 1 79 13 13 LYS CB C 33.693 0.300 1 80 13 13 LYS CD C 29.222 0.300 1 81 13 13 LYS CE C 41.502 0.300 1 82 13 13 LYS CG C 24.851 0.300 1 83 13 13 LYS N N 126.987 0.300 1 84 14 14 PHE H H 7.109 0.030 1 85 14 14 PHE HA H 4.811 0.030 1 86 14 14 PHE HB2 H 3.324 0.030 2 87 14 14 PHE HB3 H 2.471 0.030 2 88 14 14 PHE HD1 H 6.804 0.030 1 89 14 14 PHE HD2 H 6.804 0.030 1 90 14 14 PHE HE1 H 7.112 0.030 1 91 14 14 PHE HE2 H 7.112 0.030 1 92 14 14 PHE HZ H 7.160 0.030 1 93 14 14 PHE C C 173.498 0.300 1 94 14 14 PHE CA C 53.451 0.300 1 95 14 14 PHE CB C 43.299 0.300 1 96 14 14 PHE CD1 C 132.389 0.300 1 97 14 14 PHE CD2 C 132.389 0.300 1 98 14 14 PHE CE1 C 130.705 0.300 1 99 14 14 PHE CE2 C 130.705 0.300 1 100 14 14 PHE CZ C 129.422 0.300 1 101 14 14 PHE N N 111.866 0.300 1 102 15 15 ASP H H 8.370 0.030 1 103 15 15 ASP HA H 4.590 0.030 1 104 15 15 ASP HB2 H 2.707 0.030 2 105 15 15 ASP HB3 H 2.624 0.030 2 106 15 15 ASP C C 175.873 0.300 1 107 15 15 ASP CA C 54.787 0.300 1 108 15 15 ASP CB C 41.194 0.300 1 109 15 15 ASP N N 117.493 0.300 1 110 16 16 PHE H H 9.288 0.030 1 111 16 16 PHE HA H 5.072 0.030 1 112 16 16 PHE HB2 H 3.052 0.030 2 113 16 16 PHE HB3 H 2.825 0.030 2 114 16 16 PHE HD1 H 7.334 0.030 1 115 16 16 PHE HD2 H 7.334 0.030 1 116 16 16 PHE HE1 H 7.450 0.030 1 117 16 16 PHE HE2 H 7.450 0.030 1 118 16 16 PHE HZ H 7.607 0.030 1 119 16 16 PHE C C 173.846 0.300 1 120 16 16 PHE CA C 56.406 0.300 1 121 16 16 PHE CB C 42.244 0.300 1 122 16 16 PHE CD1 C 132.350 0.300 1 123 16 16 PHE CD2 C 132.350 0.300 1 124 16 16 PHE CE1 C 131.471 0.300 1 125 16 16 PHE CE2 C 131.471 0.300 1 126 16 16 PHE CZ C 129.974 0.300 1 127 16 16 PHE N N 123.054 0.300 1 128 17 17 LYS H H 8.175 0.030 1 129 17 17 LYS HA H 4.190 0.030 1 130 17 17 LYS HB2 H 1.575 0.030 1 131 17 17 LYS HB3 H 1.575 0.030 1 132 17 17 LYS HD2 H 1.626 0.030 1 133 17 17 LYS HD3 H 1.626 0.030 1 134 17 17 LYS HE2 H 2.971 0.030 1 135 17 17 LYS HE3 H 2.971 0.030 1 136 17 17 LYS HG2 H 1.362 0.030 2 137 17 17 LYS HG3 H 1.213 0.030 2 138 17 17 LYS C C 174.075 0.300 1 139 17 17 LYS CA C 54.502 0.300 1 140 17 17 LYS CB C 31.809 0.300 1 141 17 17 LYS CD C 28.988 0.300 1 142 17 17 LYS CE C 42.172 0.300 1 143 17 17 LYS CG C 24.604 0.300 1 144 17 17 LYS N N 129.223 0.300 1 145 18 18 ALA H H 7.333 0.030 1 146 18 18 ALA HA H 3.952 0.030 1 147 18 18 ALA HB H 1.201 0.030 1 148 18 18 ALA C C 178.145 0.300 1 149 18 18 ALA CA C 51.767 0.300 1 150 18 18 ALA CB C 20.605 0.300 1 151 18 18 ALA N N 126.823 0.300 1 152 19 19 GLN H H 9.441 0.030 1 153 19 19 GLN HA H 4.391 0.030 1 154 19 19 GLN HB2 H 2.245 0.030 2 155 19 19 GLN HB3 H 2.178 0.030 2 156 19 19 GLN HE21 H 7.619 0.030 2 157 19 19 GLN HE22 H 6.843 0.030 2 158 19 19 GLN HG2 H 2.318 0.030 2 159 19 19 GLN HG3 H 2.472 0.030 2 160 19 19 GLN C C 176.035 0.300 1 161 19 19 GLN CA C 56.356 0.300 1 162 19 19 GLN CB C 31.057 0.300 1 163 19 19 GLN CG C 34.410 0.300 1 164 19 19 GLN N N 121.567 0.300 1 165 19 19 GLN NE2 N 112.591 0.300 1 166 20 20 THR H H 7.544 0.030 1 167 20 20 THR HA H 4.723 0.030 1 168 20 20 THR HB H 4.474 0.030 1 169 20 20 THR HG2 H 1.172 0.030 1 170 20 20 THR C C 175.351 0.300 1 171 20 20 THR CA C 59.559 0.300 1 172 20 20 THR CB C 72.004 0.300 1 173 20 20 THR CG2 C 21.112 0.300 1 174 20 20 THR N N 109.256 0.300 1 175 21 21 LEU H H 8.428 0.030 1 176 21 21 LEU HA H 4.270 0.030 1 177 21 21 LEU HB2 H 1.750 0.030 2 178 21 21 LEU HB3 H 1.663 0.030 2 179 21 21 LEU HD1 H 0.967 0.030 1 180 21 21 LEU HD2 H 0.930 0.030 1 181 21 21 LEU HG H 1.766 0.030 1 182 21 21 LEU C C 177.945 0.300 1 183 21 21 LEU CA C 57.038 0.300 1 184 21 21 LEU CB C 41.982 0.300 1 185 21 21 LEU CD1 C 24.884 0.300 2 186 21 21 LEU CD2 C 23.373 0.300 2 187 21 21 LEU CG C 27.113 0.300 1 188 21 21 LEU N N 119.481 0.300 1 189 22 22 LYS H H 7.757 0.030 1 190 22 22 LYS HA H 4.299 0.030 1 191 22 22 LYS HB2 H 1.779 0.030 2 192 22 22 LYS HB3 H 1.727 0.030 2 193 22 22 LYS HD2 H 1.601 0.030 1 194 22 22 LYS HD3 H 1.601 0.030 1 195 22 22 LYS HE2 H 2.899 0.030 1 196 22 22 LYS HE3 H 2.899 0.030 1 197 22 22 LYS HG2 H 1.425 0.030 1 198 22 22 LYS HG3 H 1.425 0.030 1 199 22 22 LYS C C 177.254 0.300 1 200 22 22 LYS CA C 56.856 0.300 1 201 22 22 LYS CB C 33.124 0.300 1 202 22 22 LYS CD C 28.864 0.300 1 203 22 22 LYS CE C 41.992 0.300 1 204 22 22 LYS CG C 24.993 0.300 1 205 22 22 LYS N N 115.739 0.300 1 206 23 23 GLU H H 7.300 0.030 1 207 23 23 GLU HA H 4.771 0.030 1 208 23 23 GLU HB2 H 2.302 0.030 2 209 23 23 GLU HB3 H 2.244 0.030 2 210 23 23 GLU HG2 H 2.348 0.030 2 211 23 23 GLU HG3 H 2.162 0.030 2 212 23 23 GLU C C 174.278 0.300 1 213 23 23 GLU CA C 55.575 0.300 1 214 23 23 GLU CB C 32.410 0.300 1 215 23 23 GLU CG C 37.332 0.300 1 216 23 23 GLU N N 119.558 0.300 1 217 24 24 LEU H H 9.209 0.030 1 218 24 24 LEU HA H 4.896 0.030 1 219 24 24 LEU HB2 H 2.048 0.030 2 220 24 24 LEU HB3 H 1.052 0.030 2 221 24 24 LEU HD1 H 0.926 0.030 1 222 24 24 LEU HD2 H 0.780 0.030 1 223 24 24 LEU HG H 1.548 0.030 1 224 24 24 LEU C C 172.405 0.300 1 225 24 24 LEU CA C 50.759 0.300 1 226 24 24 LEU CB C 45.235 0.300 1 227 24 24 LEU CD1 C 24.794 0.300 2 228 24 24 LEU CD2 C 25.993 0.300 2 229 24 24 LEU CG C 26.259 0.300 1 230 24 24 LEU N N 126.486 0.300 1 231 25 25 PRO HA H 4.521 0.030 1 232 25 25 PRO HB2 H 2.345 0.030 2 233 25 25 PRO HB3 H 1.995 0.030 2 234 25 25 PRO HD2 H 3.765 0.030 2 235 25 25 PRO HD3 H 4.006 0.030 2 236 25 25 PRO HG2 H 2.160 0.030 2 237 25 25 PRO HG3 H 2.064 0.030 2 238 25 25 PRO C C 176.821 0.300 1 239 25 25 PRO CA C 62.615 0.300 1 240 25 25 PRO CB C 32.086 0.300 1 241 25 25 PRO CD C 50.167 0.300 1 242 25 25 PRO CG C 27.483 0.300 1 243 26 26 LEU H H 8.603 0.030 1 244 26 26 LEU HA H 4.705 0.030 1 245 26 26 LEU HB2 H 1.782 0.030 2 246 26 26 LEU HB3 H 1.078 0.030 2 247 26 26 LEU HD1 H 0.386 0.030 1 248 26 26 LEU HD2 H 0.282 0.030 1 249 26 26 LEU HG H 1.889 0.030 1 250 26 26 LEU C C 176.525 0.300 1 251 26 26 LEU CA C 53.554 0.300 1 252 26 26 LEU CB C 46.853 0.300 1 253 26 26 LEU CD1 C 25.360 0.300 2 254 26 26 LEU CD2 C 23.243 0.300 2 255 26 26 LEU CG C 25.663 0.300 1 256 26 26 LEU N N 118.661 0.300 1 257 27 27 GLN H H 8.978 0.030 1 258 27 27 GLN HA H 4.828 0.030 1 259 27 27 GLN HB2 H 1.959 0.030 2 260 27 27 GLN HB3 H 1.917 0.030 2 261 27 27 GLN HE21 H 7.682 0.030 2 262 27 27 GLN HE22 H 6.783 0.030 2 263 27 27 GLN HG2 H 2.361 0.030 2 264 27 27 GLN HG3 H 2.293 0.030 2 265 27 27 GLN C C 174.916 0.300 1 266 27 27 GLN CA C 53.459 0.300 1 267 27 27 GLN CB C 31.219 0.300 1 268 27 27 GLN CG C 34.868 0.300 1 269 27 27 GLN N N 123.348 0.300 1 270 27 27 GLN NE2 N 112.246 0.300 1 271 28 28 LYS H H 8.936 0.030 1 272 28 28 LYS HA H 3.178 0.030 1 273 28 28 LYS HB2 H 1.632 0.030 2 274 28 28 LYS HB3 H 1.515 0.030 2 275 28 28 LYS HD2 H 1.655 0.030 2 276 28 28 LYS HD3 H 1.695 0.030 2 277 28 28 LYS HE2 H 2.977 0.030 1 278 28 28 LYS HE3 H 2.977 0.030 1 279 28 28 LYS HG2 H 1.149 0.030 2 280 28 28 LYS HG3 H 1.097 0.030 2 281 28 28 LYS C C 177.151 0.300 1 282 28 28 LYS CA C 58.815 0.300 1 283 28 28 LYS CB C 32.374 0.300 1 284 28 28 LYS CD C 29.610 0.300 1 285 28 28 LYS CE C 41.984 0.300 1 286 28 28 LYS CG C 24.239 0.300 1 287 28 28 LYS N N 122.847 0.300 1 288 29 29 GLY H H 8.923 0.030 1 289 29 29 GLY HA2 H 4.477 0.030 2 290 29 29 GLY HA3 H 3.365 0.030 2 291 29 29 GLY C C 174.353 0.300 1 292 29 29 GLY CA C 44.737 0.300 1 293 29 29 GLY N N 115.478 0.300 1 294 30 30 ASP H H 8.525 0.030 1 295 30 30 ASP HA H 4.413 0.030 1 296 30 30 ASP HB2 H 2.425 0.030 2 297 30 30 ASP HB3 H 1.791 0.030 2 298 30 30 ASP C C 175.136 0.300 1 299 30 30 ASP CA C 55.674 0.300 1 300 30 30 ASP CB C 41.583 0.300 1 301 30 30 ASP N N 123.018 0.300 1 302 31 31 ILE H H 8.335 0.030 1 303 31 31 ILE HA H 4.901 0.030 1 304 31 31 ILE HB H 1.953 0.030 1 305 31 31 ILE HD1 H 0.748 0.030 1 306 31 31 ILE HG12 H 1.545 0.030 2 307 31 31 ILE HG13 H 1.410 0.030 2 308 31 31 ILE HG2 H 0.661 0.030 1 309 31 31 ILE C C 175.630 0.300 1 310 31 31 ILE CA C 58.649 0.300 1 311 31 31 ILE CB C 36.590 0.300 1 312 31 31 ILE CD1 C 10.674 0.300 1 313 31 31 ILE CG1 C 26.977 0.300 1 314 31 31 ILE CG2 C 16.401 0.300 1 315 31 31 ILE N N 120.975 0.300 1 316 32 32 VAL H H 8.752 0.030 1 317 32 32 VAL HA H 4.744 0.030 1 318 32 32 VAL HB H 1.505 0.030 1 319 32 32 VAL HG1 H 0.243 0.030 1 320 32 32 VAL HG2 H 0.246 0.030 1 321 32 32 VAL C C 172.649 0.300 1 322 32 32 VAL CA C 57.965 0.300 1 323 32 32 VAL CB C 34.507 0.300 1 324 32 32 VAL CG1 C 20.727 0.300 2 325 32 32 VAL CG2 C 20.660 0.300 2 326 32 32 VAL N N 124.445 0.300 1 327 33 33 TYR H H 8.425 0.030 1 328 33 33 TYR HA H 4.755 0.030 1 329 33 33 TYR HB2 H 2.841 0.030 2 330 33 33 TYR HB3 H 2.716 0.030 2 331 33 33 TYR HD1 H 6.952 0.030 1 332 33 33 TYR HD2 H 6.952 0.030 1 333 33 33 TYR HE1 H 6.782 0.030 1 334 33 33 TYR HE2 H 6.782 0.030 1 335 33 33 TYR C C 175.861 0.300 1 336 33 33 TYR CA C 57.012 0.300 1 337 33 33 TYR CB C 40.098 0.300 1 338 33 33 TYR CD1 C 132.691 0.300 1 339 33 33 TYR CD2 C 132.691 0.300 1 340 33 33 TYR CE1 C 117.768 0.300 1 341 33 33 TYR CE2 C 117.768 0.300 1 342 33 33 TYR N N 120.630 0.300 1 343 34 34 ILE H H 9.249 0.030 1 344 34 34 ILE HA H 3.902 0.030 1 345 34 34 ILE HB H 1.743 0.030 1 346 34 34 ILE HD1 H 0.159 0.030 1 347 34 34 ILE HG12 H 1.395 0.030 2 348 34 34 ILE HG13 H 0.662 0.030 2 349 34 34 ILE HG2 H 0.586 0.030 1 350 34 34 ILE C C 176.892 0.300 1 351 34 34 ILE CA C 62.568 0.300 1 352 34 34 ILE CB C 39.633 0.300 1 353 34 34 ILE CD1 C 13.751 0.300 1 354 34 34 ILE CG1 C 28.391 0.300 1 355 34 34 ILE CG2 C 18.058 0.300 1 356 34 34 ILE N N 122.985 0.300 1 357 35 35 TYR H H 9.692 0.030 1 358 35 35 TYR HA H 5.122 0.030 1 359 35 35 TYR HB2 H 3.256 0.030 2 360 35 35 TYR HB3 H 3.026 0.030 2 361 35 35 TYR HD1 H 7.062 0.030 1 362 35 35 TYR HD2 H 7.062 0.030 1 363 35 35 TYR HE1 H 6.802 0.030 1 364 35 35 TYR HE2 H 6.802 0.030 1 365 35 35 TYR C C 176.284 0.300 1 366 35 35 TYR CA C 56.527 0.300 1 367 35 35 TYR CB C 38.678 0.300 1 368 35 35 TYR CD1 C 130.959 0.300 1 369 35 35 TYR CD2 C 130.959 0.300 1 370 35 35 TYR CE1 C 118.408 0.300 1 371 35 35 TYR CE2 C 118.408 0.300 1 372 35 35 TYR N N 127.444 0.300 1 373 36 36 LYS H H 8.029 0.030 1 374 36 36 LYS HA H 4.753 0.030 1 375 36 36 LYS HB2 H 2.069 0.030 2 376 36 36 LYS HB3 H 1.795 0.030 2 377 36 36 LYS HD2 H 1.653 0.030 1 378 36 36 LYS HD3 H 1.653 0.030 1 379 36 36 LYS HE2 H 2.906 0.030 1 380 36 36 LYS HE3 H 2.906 0.030 1 381 36 36 LYS HG2 H 1.382 0.030 2 382 36 36 LYS HG3 H 1.186 0.030 2 383 36 36 LYS C C 174.153 0.300 1 384 36 36 LYS CA C 55.557 0.300 1 385 36 36 LYS CB C 35.481 0.300 1 386 36 36 LYS CD C 29.421 0.300 1 387 36 36 LYS CE C 42.009 0.300 1 388 36 36 LYS CG C 23.960 0.300 1 389 36 36 LYS N N 114.589 0.300 1 390 37 37 GLN H H 9.092 0.030 1 391 37 37 GLN HA H 4.722 0.030 1 392 37 37 GLN HB2 H 2.112 0.030 2 393 37 37 GLN HB3 H 2.046 0.030 2 394 37 37 GLN HE21 H 6.742 0.030 2 395 37 37 GLN HE22 H 7.130 0.030 2 396 37 37 GLN HG2 H 2.286 0.030 2 397 37 37 GLN HG3 H 2.093 0.030 2 398 37 37 GLN C C 175.395 0.300 1 399 37 37 GLN CA C 56.098 0.300 1 400 37 37 GLN CB C 29.104 0.300 1 401 37 37 GLN CG C 33.964 0.300 1 402 37 37 GLN N N 123.031 0.300 1 403 37 37 GLN NE2 N 110.325 0.300 1 404 38 38 ILE H H 8.401 0.030 1 405 38 38 ILE HA H 4.008 0.030 1 406 38 38 ILE HB H 1.783 0.030 1 407 38 38 ILE HD1 H 0.737 0.030 1 408 38 38 ILE HG12 H 1.315 0.030 2 409 38 38 ILE HG13 H 1.137 0.030 2 410 38 38 ILE HG2 H 0.842 0.030 1 411 38 38 ILE C C 175.546 0.300 1 412 38 38 ILE CA C 62.067 0.300 1 413 38 38 ILE CB C 38.216 0.300 1 414 38 38 ILE CD1 C 11.950 0.300 1 415 38 38 ILE CG1 C 27.365 0.300 1 416 38 38 ILE CG2 C 17.243 0.300 1 417 38 38 ILE N N 126.793 0.300 1 418 39 39 ASP H H 8.018 0.030 1 419 39 39 ASP HA H 4.490 0.030 1 420 39 39 ASP HB2 H 3.154 0.030 2 421 39 39 ASP HB3 H 3.111 0.030 2 422 39 39 ASP C C 175.782 0.300 1 423 39 39 ASP CA C 53.403 0.300 1 424 39 39 ASP CB C 40.097 0.300 1 425 39 39 ASP N N 118.627 0.300 1 426 40 40 GLN H H 8.516 0.030 1 427 40 40 GLN HA H 3.952 0.030 1 428 40 40 GLN HB2 H 2.029 0.030 1 429 40 40 GLN HB3 H 2.029 0.030 1 430 40 40 GLN HE21 H 7.530 0.030 2 431 40 40 GLN HE22 H 6.875 0.030 2 432 40 40 GLN HG2 H 2.361 0.030 1 433 40 40 GLN HG3 H 2.361 0.030 1 434 40 40 GLN C C 175.873 0.300 1 435 40 40 GLN CA C 58.356 0.300 1 436 40 40 GLN CB C 28.614 0.300 1 437 40 40 GLN CG C 33.561 0.300 1 438 40 40 GLN N N 113.827 0.300 1 439 40 40 GLN NE2 N 112.373 0.300 1 440 41 41 ASN H H 8.860 0.030 1 441 41 41 ASN HA H 4.811 0.030 1 442 41 41 ASN HB2 H 2.674 0.030 2 443 41 41 ASN HB3 H 2.343 0.030 2 444 41 41 ASN HD21 H 7.856 0.030 2 445 41 41 ASN HD22 H 6.960 0.030 2 446 41 41 ASN C C 175.691 0.300 1 447 41 41 ASN CA C 53.846 0.300 1 448 41 41 ASN CB C 41.844 0.300 1 449 41 41 ASN N N 114.694 0.300 1 450 41 41 ASN ND2 N 115.492 0.300 1 451 42 42 TRP H H 8.071 0.030 1 452 42 42 TRP HA H 4.879 0.030 1 453 42 42 TRP HB2 H 2.868 0.030 2 454 42 42 TRP HB3 H 2.819 0.030 2 455 42 42 TRP HD1 H 7.953 0.030 1 456 42 42 TRP HE1 H 10.198 0.030 1 457 42 42 TRP HE3 H 7.137 0.030 1 458 42 42 TRP HH2 H 7.332 0.030 1 459 42 42 TRP HZ2 H 7.484 0.030 1 460 42 42 TRP HZ3 H 6.745 0.030 1 461 42 42 TRP C C 175.212 0.300 1 462 42 42 TRP CA C 57.340 0.300 1 463 42 42 TRP CB C 32.560 0.300 1 464 42 42 TRP CD1 C 129.716 0.300 1 465 42 42 TRP CE3 C 119.998 0.300 1 466 42 42 TRP CH2 C 124.552 0.300 1 467 42 42 TRP CZ2 C 114.434 0.300 1 468 42 42 TRP CZ3 C 120.305 0.300 1 469 42 42 TRP N N 121.550 0.300 1 470 42 42 TRP NE1 N 129.346 0.300 1 471 43 43 TYR H H 8.778 0.030 1 472 43 43 TYR HA H 5.159 0.030 1 473 43 43 TYR HB2 H 2.626 0.030 2 474 43 43 TYR HB3 H 1.819 0.030 2 475 43 43 TYR HD1 H 6.918 0.030 1 476 43 43 TYR HD2 H 6.918 0.030 1 477 43 43 TYR HE1 H 6.808 0.030 1 478 43 43 TYR HE2 H 6.808 0.030 1 479 43 43 TYR C C 173.820 0.300 1 480 43 43 TYR CA C 56.347 0.300 1 481 43 43 TYR CB C 42.812 0.300 1 482 43 43 TYR CD1 C 132.512 0.300 1 483 43 43 TYR CD2 C 132.512 0.300 1 484 43 43 TYR CE1 C 118.026 0.300 1 485 43 43 TYR CE2 C 118.026 0.300 1 486 43 43 TYR N N 120.202 0.300 1 487 44 44 GLU H H 8.792 0.030 1 488 44 44 GLU HA H 5.016 0.030 1 489 44 44 GLU HB2 H 2.063 0.030 2 490 44 44 GLU HB3 H 1.887 0.030 2 491 44 44 GLU HG2 H 2.072 0.030 1 492 44 44 GLU HG3 H 2.072 0.030 1 493 44 44 GLU C C 176.285 0.300 1 494 44 44 GLU CA C 54.612 0.300 1 495 44 44 GLU CB C 34.053 0.300 1 496 44 44 GLU CG C 37.762 0.300 1 497 44 44 GLU N N 117.907 0.300 1 498 45 45 GLY H H 9.183 0.030 1 499 45 45 GLY HA2 H 4.412 0.030 2 500 45 45 GLY HA3 H 3.936 0.030 2 501 45 45 GLY C C 169.070 0.300 1 502 45 45 GLY CA C 46.878 0.300 1 503 45 45 GLY N N 115.583 0.300 1 504 46 46 GLU H H 8.776 0.030 1 505 46 46 GLU HA H 5.704 0.030 1 506 46 46 GLU HB2 H 2.008 0.030 2 507 46 46 GLU HB3 H 1.832 0.030 2 508 46 46 GLU HG2 H 2.271 0.030 2 509 46 46 GLU HG3 H 2.098 0.030 2 510 46 46 GLU C C 175.188 0.300 1 511 46 46 GLU CA C 54.292 0.300 1 512 46 46 GLU CB C 34.952 0.300 1 513 46 46 GLU CG C 35.995 0.300 1 514 46 46 GLU N N 118.985 0.300 1 515 47 47 HIS H H 8.866 0.030 1 516 47 47 HIS HA H 4.893 0.030 1 517 47 47 HIS HB2 H 3.107 0.030 2 518 47 47 HIS HB3 H 2.936 0.030 2 519 47 47 HIS HD2 H 7.293 0.030 1 520 47 47 HIS HE1 H 7.763 0.030 1 521 47 47 HIS C C 174.654 0.300 1 522 47 47 HIS CA C 56.476 0.300 1 523 47 47 HIS CB C 33.223 0.300 1 524 47 47 HIS CD2 C 120.585 0.300 1 525 47 47 HIS CE1 C 137.259 0.300 1 526 47 47 HIS N N 121.548 0.300 1 527 48 48 HIS H H 9.515 0.030 1 528 48 48 HIS HA H 4.240 0.030 1 529 48 48 HIS HB2 H 2.784 0.030 2 530 48 48 HIS HB3 H 3.269 0.030 2 531 48 48 HIS HD2 H 6.774 0.030 1 532 48 48 HIS HE1 H 8.134 0.030 1 533 48 48 HIS C C 175.182 0.300 1 534 48 48 HIS CA C 55.861 0.300 1 535 48 48 HIS CB C 28.141 0.300 1 536 48 48 HIS CD2 C 118.273 0.300 1 537 48 48 HIS CE1 C 136.996 0.300 1 538 48 48 HIS N N 126.628 0.300 1 539 49 49 GLY H H 9.236 0.030 1 540 49 49 GLY HA2 H 4.187 0.030 2 541 49 49 GLY HA3 H 3.673 0.030 2 542 49 49 GLY C C 173.451 0.300 1 543 49 49 GLY CA C 45.644 0.300 1 544 49 49 GLY N N 105.687 0.300 1 545 50 50 ARG H H 7.899 0.030 1 546 50 50 ARG HA H 4.675 0.030 1 547 50 50 ARG HB2 H 1.984 0.030 2 548 50 50 ARG HB3 H 1.837 0.030 2 549 50 50 ARG HD2 H 3.350 0.030 2 550 50 50 ARG HD3 H 3.206 0.030 2 551 50 50 ARG HG2 H 1.594 0.030 2 552 50 50 ARG HG3 H 1.824 0.030 2 553 50 50 ARG C C 173.716 0.300 1 554 50 50 ARG CA C 54.971 0.300 1 555 50 50 ARG CB C 32.183 0.300 1 556 50 50 ARG CD C 43.946 0.300 1 557 50 50 ARG CG C 27.353 0.300 1 558 50 50 ARG N N 122.910 0.300 1 559 51 51 VAL H H 8.432 0.030 1 560 51 51 VAL HA H 5.254 0.030 1 561 51 51 VAL HB H 1.978 0.030 1 562 51 51 VAL HG1 H 1.021 0.030 1 563 51 51 VAL HG2 H 1.004 0.030 1 564 51 51 VAL C C 177.374 0.300 1 565 51 51 VAL CA C 60.244 0.300 1 566 51 51 VAL CB C 34.058 0.300 1 567 51 51 VAL CG1 C 21.835 0.300 2 568 51 51 VAL CG2 C 21.083 0.300 2 569 51 51 VAL N N 123.451 0.300 1 570 52 52 GLY H H 9.039 0.030 1 571 52 52 GLY HA2 H 4.481 0.030 2 572 52 52 GLY HA3 H 4.099 0.030 2 573 52 52 GLY C C 171.397 0.300 1 574 52 52 GLY CA C 45.909 0.300 1 575 52 52 GLY N N 114.340 0.300 1 576 53 53 ILE H H 8.494 0.030 1 577 53 53 ILE HA H 5.970 0.030 1 578 53 53 ILE HB H 1.905 0.030 1 579 53 53 ILE HD1 H -0.008 0.030 1 580 53 53 ILE HG12 H 1.317 0.030 2 581 53 53 ILE HG13 H 0.800 0.030 2 582 53 53 ILE HG2 H 0.808 0.030 1 583 53 53 ILE C C 176.173 0.300 1 584 53 53 ILE CA C 59.520 0.300 1 585 53 53 ILE CB C 41.086 0.300 1 586 53 53 ILE CD1 C 12.598 0.300 1 587 53 53 ILE CG1 C 25.958 0.300 1 588 53 53 ILE CG2 C 17.549 0.300 1 589 53 53 ILE N N 112.762 0.300 1 590 54 54 PHE H H 8.446 0.030 1 591 54 54 PHE HA H 5.030 0.030 1 592 54 54 PHE HB2 H 2.406 0.030 2 593 54 54 PHE HB3 H 3.505 0.030 2 594 54 54 PHE HD1 H 6.907 0.030 1 595 54 54 PHE HD2 H 6.907 0.030 1 596 54 54 PHE HE1 H 6.789 0.030 1 597 54 54 PHE HE2 H 6.789 0.030 1 598 54 54 PHE HZ H 6.677 0.030 1 599 54 54 PHE C C 171.860 0.300 1 600 54 54 PHE CA C 54.446 0.300 1 601 54 54 PHE CB C 37.512 0.300 1 602 54 54 PHE CD1 C 133.491 0.300 1 603 54 54 PHE CD2 C 133.491 0.300 1 604 54 54 PHE CE1 C 129.997 0.300 1 605 54 54 PHE CE2 C 129.997 0.300 1 606 54 54 PHE CZ C 127.981 0.300 1 607 54 54 PHE N N 116.317 0.300 1 608 55 55 PRO HA H 3.975 0.030 1 609 55 55 PRO HB2 H 1.363 0.030 2 610 55 55 PRO HB3 H 1.496 0.030 2 611 55 55 PRO HD2 H 2.077 0.030 2 612 55 55 PRO HD3 H 2.125 0.030 2 613 55 55 PRO HG2 H 0.689 0.030 2 614 55 55 PRO HG3 H 0.546 0.030 2 615 55 55 PRO C C 178.290 0.300 1 616 55 55 PRO CA C 61.774 0.300 1 617 55 55 PRO CB C 31.618 0.300 1 618 55 55 PRO CD C 50.037 0.300 1 619 55 55 PRO CG C 27.666 0.300 1 620 56 56 ARG H H 7.934 0.030 1 621 56 56 ARG HA H 4.001 0.030 1 622 56 56 ARG HB2 H 1.499 0.030 2 623 56 56 ARG HB3 H 1.231 0.030 2 624 56 56 ARG HD2 H 2.880 0.030 2 625 56 56 ARG HD3 H 2.943 0.030 2 626 56 56 ARG HG2 H 1.227 0.030 2 627 56 56 ARG HG3 H 0.983 0.030 2 628 56 56 ARG C C 178.263 0.300 1 629 56 56 ARG CA C 58.695 0.300 1 630 56 56 ARG CB C 30.270 0.300 1 631 56 56 ARG CD C 43.369 0.300 1 632 56 56 ARG CG C 26.247 0.300 1 633 56 56 ARG N N 122.144 0.300 1 634 57 57 THR H H 7.943 0.030 1 635 57 57 THR HA H 4.237 0.030 1 636 57 57 THR HB H 4.462 0.030 1 637 57 57 THR HG2 H 1.269 0.030 1 638 57 57 THR C C 175.423 0.300 1 639 57 57 THR CA C 63.114 0.300 1 640 57 57 THR CB C 69.159 0.300 1 641 57 57 THR CG2 C 22.347 0.300 1 642 57 57 THR N N 105.470 0.300 1 643 58 58 TYR H H 7.674 0.030 1 644 58 58 TYR HA H 4.607 0.030 1 645 58 58 TYR HB2 H 3.304 0.030 2 646 58 58 TYR HB3 H 3.013 0.030 2 647 58 58 TYR HD1 H 7.168 0.030 1 648 58 58 TYR HD2 H 7.168 0.030 1 649 58 58 TYR HE1 H 7.052 0.030 1 650 58 58 TYR HE2 H 7.052 0.030 1 651 58 58 TYR C C 174.964 0.300 1 652 58 58 TYR CA C 58.847 0.300 1 653 58 58 TYR CB C 38.102 0.300 1 654 58 58 TYR CD1 C 132.393 0.300 1 655 58 58 TYR CD2 C 132.393 0.300 1 656 58 58 TYR CE1 C 118.525 0.300 1 657 58 58 TYR CE2 C 118.525 0.300 1 658 58 58 TYR N N 119.055 0.300 1 659 59 59 ILE H H 7.437 0.030 1 660 59 59 ILE HA H 5.176 0.030 1 661 59 59 ILE HB H 1.838 0.030 1 662 59 59 ILE HD1 H 0.649 0.030 1 663 59 59 ILE HG12 H 1.620 0.030 2 664 59 59 ILE HG13 H 1.339 0.030 2 665 59 59 ILE HG2 H 0.621 0.030 1 666 59 59 ILE C C 174.301 0.300 1 667 59 59 ILE CA C 57.442 0.300 1 668 59 59 ILE CB C 42.356 0.300 1 669 59 59 ILE CD1 C 13.442 0.300 1 670 59 59 ILE CG1 C 26.818 0.300 1 671 59 59 ILE CG2 C 20.476 0.300 1 672 59 59 ILE N N 113.392 0.300 1 673 60 60 GLU H H 8.823 0.030 1 674 60 60 GLU HA H 4.707 0.030 1 675 60 60 GLU HB2 H 1.919 0.030 2 676 60 60 GLU HB3 H 1.784 0.030 2 677 60 60 GLU HG2 H 2.143 0.030 1 678 60 60 GLU HG3 H 2.143 0.030 1 679 60 60 GLU C C 175.330 0.300 1 680 60 60 GLU CA C 53.823 0.300 1 681 60 60 GLU CB C 32.638 0.300 1 682 60 60 GLU CG C 35.568 0.300 1 683 60 60 GLU N N 121.796 0.300 1 684 61 61 LEU H H 8.812 0.030 1 685 61 61 LEU HA H 4.153 0.030 1 686 61 61 LEU HB2 H 1.713 0.030 2 687 61 61 LEU HB3 H 1.498 0.030 2 688 61 61 LEU HD1 H 0.901 0.030 1 689 61 61 LEU HD2 H 0.699 0.030 1 690 61 61 LEU HG H 1.652 0.030 1 691 61 61 LEU C C 177.514 0.300 1 692 61 61 LEU CA C 55.852 0.300 1 693 61 61 LEU CB C 41.613 0.300 1 694 61 61 LEU CD1 C 25.248 0.300 2 695 61 61 LEU CD2 C 23.307 0.300 2 696 61 61 LEU CG C 27.356 0.300 1 697 61 61 LEU N N 126.496 0.300 1 698 62 62 LEU H H 7.951 0.030 1 699 62 62 LEU HA H 4.490 0.030 1 700 62 62 LEU HB2 H 1.594 0.030 2 701 62 62 LEU HB3 H 1.468 0.030 2 702 62 62 LEU HD1 H 0.778 0.030 1 703 62 62 LEU HD2 H 0.778 0.030 1 704 62 62 LEU HG H 1.500 0.030 1 705 62 62 LEU C C 177.307 0.300 1 706 62 62 LEU CA C 54.719 0.300 1 707 62 62 LEU CB C 42.086 0.300 1 708 62 62 LEU CD1 C 25.438 0.300 2 709 62 62 LEU CD2 C 22.703 0.300 2 710 62 62 LEU CG C 27.329 0.300 1 711 62 62 LEU N N 122.358 0.300 1 712 63 63 SER H H 8.342 0.030 1 713 63 63 SER HA H 4.517 0.030 1 714 63 63 SER HB2 H 3.825 0.030 1 715 63 63 SER HB3 H 3.825 0.030 1 716 63 63 SER C C 174.276 0.300 1 717 63 63 SER CA C 58.329 0.300 1 718 63 63 SER CB C 63.992 0.300 1 719 63 63 SER N N 115.901 0.300 1 720 64 64 GLY H H 8.225 0.030 1 721 64 64 GLY HA2 H 4.168 0.030 2 722 64 64 GLY HA3 H 4.131 0.030 2 723 64 64 GLY C C 173.182 0.300 1 724 64 64 GLY CA C 44.676 0.300 1 725 64 64 GLY N N 110.327 0.300 1 726 65 65 PRO HA H 4.488 0.030 1 727 65 65 PRO HB2 H 2.323 0.030 2 728 65 65 PRO HB3 H 2.004 0.030 2 729 65 65 PRO HD2 H 3.649 0.030 1 730 65 65 PRO HD3 H 3.649 0.030 1 731 65 65 PRO HG2 H 2.050 0.030 1 732 65 65 PRO HG3 H 2.050 0.030 1 733 65 65 PRO CA C 63.335 0.300 1 734 65 65 PRO CB C 32.218 0.300 1 735 65 65 PRO CD C 49.752 0.300 1 736 65 65 PRO CG C 27.179 0.300 1 737 66 66 SER H H 8.296 0.030 1 738 66 66 SER HA H 4.419 0.030 1 739 66 66 SER HB2 H 3.680 0.030 1 740 66 66 SER HB3 H 3.680 0.030 1 741 66 66 SER C C 174.502 0.300 1 742 66 66 SER CA C 58.362 0.300 1 743 66 66 SER CB C 63.836 0.300 1 744 67 67 SER H H 8.277 0.030 1 745 67 67 SER HA H 4.498 0.030 1 746 67 67 SER HB2 H 3.911 0.030 1 747 67 67 SER HB3 H 3.911 0.030 1 748 67 67 SER C C 173.873 0.300 1 749 67 67 SER CA C 58.401 0.300 1 750 67 67 SER CB C 64.050 0.300 1 751 67 67 SER N N 117.539 0.300 1 752 68 68 GLY H H 8.044 0.030 1 753 68 68 GLY HA2 H 3.818 0.030 2 754 68 68 GLY HA3 H 3.763 0.030 2 755 68 68 GLY C C 178.952 0.300 1 756 68 68 GLY CA C 46.278 0.300 1 757 68 68 GLY N N 116.795 0.300 1 stop_ save_