data_11284 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of human hypothetical protein FLJ21522 ; _BMRB_accession_number 11284 _BMRB_flat_file_name bmr11284.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Yoneyama M. . . 2 Saito K. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 375 "13C chemical shifts" 279 "15N chemical shifts" 60 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the SH3 domain of human hypothetical protein FLJ21522' _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 Yoneyama M. . . 2 Saito K. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Hypothetical protein FLJ21522' _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 68 _Mol_residue_sequence ; GSSGSSGLKMQVLYEFEARN PRELTVVQGEKLEVLDHSKR WWLVKNEAGRSGYIPSNILE PLSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 LYS 10 MET 11 GLN 12 VAL 13 LEU 14 TYR 15 GLU 16 PHE 17 GLU 18 ALA 19 ARG 20 ASN 21 PRO 22 ARG 23 GLU 24 LEU 25 THR 26 VAL 27 VAL 28 GLN 29 GLY 30 GLU 31 LYS 32 LEU 33 GLU 34 VAL 35 LEU 36 ASP 37 HIS 38 SER 39 LYS 40 ARG 41 TRP 42 TRP 43 LEU 44 VAL 45 LYS 46 ASN 47 GLU 48 ALA 49 GLY 50 ARG 51 SER 52 GLY 53 TYR 54 ILE 55 PRO 56 SER 57 ASN 58 ILE 59 LEU 60 GLU 61 PRO 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 2015-03-22 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 1WXT "Solution Structure Of The Sh3 Domain Of Human Hypothetical Protein Flj21522" 100.00 68 100.00 100.00 8.01e-40 GB EAW56414 "EPS8-like 3, isoform CRA_e [Homo sapiens]" 82.35 594 98.21 98.21 1.01e-28 REF NP_620641 "epidermal growth factor receptor kinase substrate 8-like protein 3 isoform a [Homo sapiens]" 82.35 594 98.21 98.21 1.01e-28 REF XP_011540429 "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 3 isoform X1 [Homo sapiens]" 82.35 683 98.21 98.21 1.58e-28 REF XP_011540430 "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 3 isoform X2 [Homo sapiens]" 82.35 682 98.21 98.21 1.66e-28 REF XP_011540431 "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 3 isoform X3 [Homo sapiens]" 82.35 675 98.21 98.21 1.55e-28 REF XP_011540432 "PREDICTED: epidermal growth factor receptor kinase substrate 8-like protein 3 isoform X4 [Homo sapiens]" 82.35 656 98.21 98.21 1.56e-28 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' 'E. coli' Escherichia coli . P040517-02 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.33mM SH3 domain U-15N, {13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10%D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.33 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.921 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_4D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 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' '4D 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 4.516 0.030 1 2 6 6 SER HB2 H 3.887 0.030 2 3 6 6 SER HB3 H 3.927 0.030 2 4 6 6 SER C C 174.974 0.300 1 5 6 6 SER CA C 58.629 0.300 1 6 6 6 SER CB C 64.182 0.300 1 7 7 7 GLY H H 8.559 0.030 1 8 7 7 GLY HA2 H 3.996 0.030 1 9 7 7 GLY HA3 H 3.996 0.030 1 10 7 7 GLY C C 173.420 0.300 1 11 7 7 GLY CA C 45.191 0.300 1 12 7 7 GLY N N 111.008 0.300 1 13 8 8 LEU H H 8.206 0.030 1 14 8 8 LEU HA H 4.368 0.030 1 15 8 8 LEU HB2 H 1.672 0.030 2 16 8 8 LEU HB3 H 1.464 0.030 2 17 8 8 LEU HD1 H 0.841 0.030 1 18 8 8 LEU HD2 H 0.699 0.030 1 19 8 8 LEU HG H 1.373 0.030 1 20 8 8 LEU C C 175.363 0.300 1 21 8 8 LEU CA C 55.207 0.300 1 22 8 8 LEU CB C 42.876 0.300 1 23 8 8 LEU CD1 C 23.677 0.300 2 24 8 8 LEU CD2 C 24.620 0.300 2 25 8 8 LEU CG C 27.265 0.300 1 26 8 8 LEU N N 122.933 0.300 1 27 9 9 LYS H H 8.379 0.030 1 28 9 9 LYS HA H 5.373 0.030 1 29 9 9 LYS HB2 H 1.766 0.030 2 30 9 9 LYS HB3 H 1.671 0.030 2 31 9 9 LYS HD2 H 1.601 0.030 1 32 9 9 LYS HD3 H 1.601 0.030 1 33 9 9 LYS HE2 H 2.911 0.030 1 34 9 9 LYS HE3 H 2.911 0.030 1 35 9 9 LYS HG2 H 1.500 0.030 2 36 9 9 LYS HG3 H 1.326 0.030 2 37 9 9 LYS C C 175.873 0.300 1 38 9 9 LYS CA C 54.794 0.300 1 39 9 9 LYS CB C 34.949 0.300 1 40 9 9 LYS CD C 29.190 0.300 1 41 9 9 LYS CE C 42.131 0.300 1 42 9 9 LYS CG C 25.301 0.300 1 43 9 9 LYS N N 125.099 0.300 1 44 10 10 MET H H 8.763 0.030 1 45 10 10 MET HA H 4.852 0.030 1 46 10 10 MET HB2 H 2.255 0.030 2 47 10 10 MET HB3 H 1.512 0.030 2 48 10 10 MET HE H 1.999 0.030 1 49 10 10 MET HG2 H 2.467 0.030 1 50 10 10 MET HG3 H 2.467 0.030 1 51 10 10 MET C C 173.323 0.300 1 52 10 10 MET CA C 54.210 0.300 1 53 10 10 MET CB C 39.296 0.300 1 54 10 10 MET CE C 18.016 0.300 1 55 10 10 MET CG C 33.857 0.300 1 56 10 10 MET N N 119.585 0.300 1 57 11 11 GLN H H 9.168 0.030 1 58 11 11 GLN HA H 5.556 0.030 1 59 11 11 GLN HB2 H 1.908 0.030 2 60 11 11 GLN HB3 H 1.759 0.030 2 61 11 11 GLN HE21 H 7.812 0.030 2 62 11 11 GLN HE22 H 6.798 0.030 2 63 11 11 GLN HG2 H 2.193 0.030 2 64 11 11 GLN HG3 H 2.043 0.030 2 65 11 11 GLN C C 175.096 0.300 1 66 11 11 GLN CA C 53.472 0.300 1 67 11 11 GLN CB C 32.385 0.300 1 68 11 11 GLN CG C 33.644 0.300 1 69 11 11 GLN N N 118.153 0.300 1 70 11 11 GLN NE2 N 112.503 0.300 1 71 12 12 VAL H H 8.476 0.030 1 72 12 12 VAL HA H 3.902 0.030 1 73 12 12 VAL HB H 2.255 0.030 1 74 12 12 VAL HG1 H 0.693 0.030 1 75 12 12 VAL HG2 H 0.930 0.030 1 76 12 12 VAL C C 177.743 0.300 1 77 12 12 VAL CA C 63.782 0.300 1 78 12 12 VAL CB C 32.535 0.300 1 79 12 12 VAL CG1 C 24.093 0.300 2 80 12 12 VAL CG2 C 23.639 0.300 2 81 12 12 VAL N N 123.293 0.300 1 82 13 13 LEU H H 9.411 0.030 1 83 13 13 LEU HA H 4.197 0.030 1 84 13 13 LEU HB2 H 1.114 0.030 2 85 13 13 LEU HB3 H 0.936 0.030 2 86 13 13 LEU HD1 H 0.656 0.030 1 87 13 13 LEU HD2 H 0.918 0.030 1 88 13 13 LEU HG H 1.140 0.030 1 89 13 13 LEU C C 175.436 0.300 1 90 13 13 LEU CA C 56.561 0.300 1 91 13 13 LEU CB C 44.157 0.300 1 92 13 13 LEU CD1 C 24.001 0.300 2 93 13 13 LEU CD2 C 26.752 0.300 2 94 13 13 LEU CG C 26.770 0.300 1 95 13 13 LEU N N 131.442 0.300 1 96 14 14 TYR H H 6.866 0.030 1 97 14 14 TYR HA H 4.852 0.030 1 98 14 14 TYR HB2 H 3.245 0.030 2 99 14 14 TYR HB3 H 2.557 0.030 2 100 14 14 TYR HD1 H 7.081 0.030 1 101 14 14 TYR HD2 H 7.081 0.030 1 102 14 14 TYR HE1 H 6.788 0.030 1 103 14 14 TYR HE2 H 6.788 0.030 1 104 14 14 TYR C C 172.158 0.300 1 105 14 14 TYR CA C 55.246 0.300 1 106 14 14 TYR CB C 41.356 0.300 1 107 14 14 TYR CD1 C 133.741 0.300 1 108 14 14 TYR CD2 C 133.741 0.300 1 109 14 14 TYR CE1 C 118.086 0.300 1 110 14 14 TYR CE2 C 118.086 0.300 1 111 14 14 TYR N N 115.367 0.300 1 112 15 15 GLU H H 8.443 0.030 1 113 15 15 GLU HA H 4.056 0.030 1 114 15 15 GLU HB2 H 2.293 0.030 2 115 15 15 GLU HB3 H 2.167 0.030 2 116 15 15 GLU HG2 H 2.428 0.030 2 117 15 15 GLU HG3 H 2.344 0.030 2 118 15 15 GLU C C 174.999 0.300 1 119 15 15 GLU CA C 56.827 0.300 1 120 15 15 GLU CB C 30.172 0.300 1 121 15 15 GLU CG C 35.917 0.300 1 122 15 15 GLU N N 117.238 0.300 1 123 16 16 PHE H H 8.103 0.030 1 124 16 16 PHE HA H 4.707 0.030 1 125 16 16 PHE HB2 H 3.125 0.030 2 126 16 16 PHE HB3 H 2.794 0.030 2 127 16 16 PHE HD1 H 7.546 0.030 1 128 16 16 PHE HD2 H 7.546 0.030 1 129 16 16 PHE HE1 H 7.491 0.030 1 130 16 16 PHE HE2 H 7.491 0.030 1 131 16 16 PHE HZ H 7.754 0.030 1 132 16 16 PHE C C 171.745 0.300 1 133 16 16 PHE CA C 58.190 0.300 1 134 16 16 PHE CB C 43.274 0.300 1 135 16 16 PHE CD1 C 132.802 0.300 1 136 16 16 PHE CD2 C 132.802 0.300 1 137 16 16 PHE CE1 C 131.189 0.300 1 138 16 16 PHE CE2 C 131.189 0.300 1 139 16 16 PHE CZ C 130.912 0.300 1 140 16 16 PHE N N 122.200 0.300 1 141 17 17 GLU H H 7.535 0.030 1 142 17 17 GLU HA H 4.469 0.030 1 143 17 17 GLU HB2 H 1.710 0.030 1 144 17 17 GLU HB3 H 1.710 0.030 1 145 17 17 GLU HG2 H 2.132 0.030 2 146 17 17 GLU HG3 H 2.072 0.030 2 147 17 17 GLU C C 173.785 0.300 1 148 17 17 GLU CA C 53.908 0.300 1 149 17 17 GLU CB C 31.467 0.300 1 150 17 17 GLU CG C 36.328 0.300 1 151 17 17 GLU N N 127.483 0.300 1 152 18 18 ALA H H 8.463 0.030 1 153 18 18 ALA HA H 4.130 0.030 1 154 18 18 ALA HB H 1.347 0.030 1 155 18 18 ALA C C 179.054 0.300 1 156 18 18 ALA CA C 52.997 0.300 1 157 18 18 ALA CB C 20.631 0.300 1 158 18 18 ALA N N 126.964 0.300 1 159 19 19 ARG H H 9.285 0.030 1 160 19 19 ARG HA H 4.417 0.030 1 161 19 19 ARG HB2 H 2.025 0.030 2 162 19 19 ARG HB3 H 1.939 0.030 2 163 19 19 ARG HD2 H 3.438 0.030 2 164 19 19 ARG HD3 H 3.279 0.030 2 165 19 19 ARG HG2 H 1.816 0.030 2 166 19 19 ARG HG3 H 1.776 0.030 2 167 19 19 ARG C C 175.703 0.300 1 168 19 19 ARG CA C 56.135 0.300 1 169 19 19 ARG CB C 30.726 0.300 1 170 19 19 ARG CD C 43.011 0.300 1 171 19 19 ARG CG C 26.770 0.300 1 172 19 19 ARG N N 120.731 0.300 1 173 20 20 ASN H H 7.624 0.030 1 174 20 20 ASN HA H 4.993 0.030 1 175 20 20 ASN HB2 H 2.795 0.030 2 176 20 20 ASN HB3 H 2.659 0.030 2 177 20 20 ASN HD21 H 7.709 0.030 2 178 20 20 ASN HD22 H 6.698 0.030 2 179 20 20 ASN C C 174.125 0.300 1 180 20 20 ASN CA C 51.529 0.300 1 181 20 20 ASN CB C 39.744 0.300 1 182 20 20 ASN N N 115.285 0.300 1 183 20 20 ASN ND2 N 116.197 0.300 1 184 21 21 PRO HA H 4.548 0.030 1 185 21 21 PRO HB2 H 2.520 0.030 2 186 21 21 PRO HB3 H 1.986 0.030 2 187 21 21 PRO HD2 H 3.888 0.030 2 188 21 21 PRO HD3 H 3.726 0.030 2 189 21 21 PRO HG2 H 2.129 0.030 2 190 21 21 PRO HG3 H 2.007 0.030 2 191 21 21 PRO C C 176.990 0.300 1 192 21 21 PRO CA C 65.079 0.300 1 193 21 21 PRO CB C 32.456 0.300 1 194 21 21 PRO CD C 51.327 0.300 1 195 21 21 PRO CG C 27.594 0.300 1 196 22 22 ARG H H 8.452 0.030 1 197 22 22 ARG HA H 4.566 0.030 1 198 22 22 ARG HB2 H 2.100 0.030 2 199 22 22 ARG HB3 H 2.047 0.030 2 200 22 22 ARG HD2 H 3.124 0.030 2 201 22 22 ARG HD3 H 3.067 0.030 2 202 22 22 ARG HG2 H 1.713 0.030 2 203 22 22 ARG HG3 H 1.589 0.030 2 204 22 22 ARG C C 177.330 0.300 1 205 22 22 ARG CA C 56.635 0.300 1 206 22 22 ARG CB C 29.997 0.300 1 207 22 22 ARG CD C 43.311 0.300 1 208 22 22 ARG CG C 27.841 0.300 1 209 22 22 ARG N N 114.569 0.300 1 210 23 23 GLU H H 7.792 0.030 1 211 23 23 GLU HA H 5.423 0.030 1 212 23 23 GLU HB2 H 2.569 0.030 2 213 23 23 GLU HB3 H 2.367 0.030 2 214 23 23 GLU HG2 H 2.503 0.030 2 215 23 23 GLU HG3 H 2.395 0.030 2 216 23 23 GLU C C 174.586 0.300 1 217 23 23 GLU CA C 55.431 0.300 1 218 23 23 GLU CB C 32.621 0.300 1 219 23 23 GLU CG C 36.966 0.300 1 220 23 23 GLU N N 120.945 0.300 1 221 24 24 LEU H H 7.834 0.030 1 222 24 24 LEU HA H 4.753 0.030 1 223 24 24 LEU HB2 H 1.644 0.030 2 224 24 24 LEU HB3 H 0.671 0.030 2 225 24 24 LEU HD1 H 0.782 0.030 1 226 24 24 LEU HD2 H 0.625 0.030 1 227 24 24 LEU HG H 1.487 0.030 1 228 24 24 LEU C C 173.785 0.300 1 229 24 24 LEU CA C 53.191 0.300 1 230 24 24 LEU CB C 46.809 0.300 1 231 24 24 LEU CD1 C 23.639 0.300 2 232 24 24 LEU CD2 C 26.440 0.300 2 233 24 24 LEU CG C 26.353 0.300 1 234 24 24 LEU N N 122.927 0.300 1 235 25 25 THR H H 8.105 0.030 1 236 25 25 THR HA H 4.955 0.030 1 237 25 25 THR HB H 4.130 0.030 1 238 25 25 THR HG2 H 1.351 0.030 1 239 25 25 THR C C 175.436 0.300 1 240 25 25 THR CA C 62.922 0.300 1 241 25 25 THR CB C 69.620 0.300 1 242 25 25 THR CG2 C 22.567 0.300 1 243 25 25 THR N N 122.418 0.300 1 244 26 26 VAL H H 9.244 0.030 1 245 26 26 VAL HA H 5.164 0.030 1 246 26 26 VAL HB H 2.283 0.030 1 247 26 26 VAL HG1 H 0.938 0.030 1 248 26 26 VAL HG2 H 1.129 0.030 1 249 26 26 VAL C C 175.314 0.300 1 250 26 26 VAL CA C 58.777 0.300 1 251 26 26 VAL CB C 36.368 0.300 1 252 26 26 VAL CG1 C 23.048 0.300 2 253 26 26 VAL CG2 C 20.817 0.300 2 254 26 26 VAL N N 121.117 0.300 1 255 27 27 VAL H H 9.150 0.030 1 256 27 27 VAL HA H 4.647 0.030 1 257 27 27 VAL HB H 2.289 0.030 1 258 27 27 VAL HG1 H 0.956 0.030 1 259 27 27 VAL HG2 H 0.891 0.030 1 260 27 27 VAL C C 175.557 0.300 1 261 27 27 VAL CA C 59.145 0.300 1 262 27 27 VAL CB C 34.434 0.300 1 263 27 27 VAL CG1 C 21.167 0.300 2 264 27 27 VAL CG2 C 19.024 0.300 2 265 27 27 VAL N N 116.716 0.300 1 266 28 28 GLN H H 8.575 0.030 1 267 28 28 GLN HA H 3.421 0.030 1 268 28 28 GLN HB2 H 1.936 0.030 2 269 28 28 GLN HB3 H 2.031 0.030 2 270 28 28 GLN HE21 H 7.573 0.030 2 271 28 28 GLN HE22 H 6.865 0.030 2 272 28 28 GLN HG2 H 2.369 0.030 2 273 28 28 GLN HG3 H 2.208 0.030 2 274 28 28 GLN C C 177.330 0.300 1 275 28 28 GLN CA C 58.757 0.300 1 276 28 28 GLN CB C 28.665 0.300 1 277 28 28 GLN CG C 34.072 0.300 1 278 28 28 GLN N N 120.621 0.300 1 279 28 28 GLN NE2 N 111.815 0.300 1 280 29 29 GLY H H 8.964 0.030 1 281 29 29 GLY HA2 H 4.326 0.030 2 282 29 29 GLY HA3 H 3.607 0.030 2 283 29 29 GLY C C 173.906 0.300 1 284 29 29 GLY CA C 45.058 0.300 1 285 29 29 GLY N N 113.824 0.300 1 286 30 30 GLU H H 7.831 0.030 1 287 30 30 GLU HA H 4.274 0.030 1 288 30 30 GLU HB2 H 2.331 0.030 2 289 30 30 GLU HB3 H 1.983 0.030 2 290 30 30 GLU HG2 H 2.459 0.030 2 291 30 30 GLU HG3 H 2.261 0.030 2 292 30 30 GLU C C 174.902 0.300 1 293 30 30 GLU CA C 57.598 0.300 1 294 30 30 GLU CB C 30.973 0.300 1 295 30 30 GLU CG C 36.745 0.300 1 296 30 30 GLU N N 121.825 0.300 1 297 31 31 LYS H H 8.670 0.030 1 298 31 31 LYS HA H 4.999 0.030 1 299 31 31 LYS HB2 H 1.889 0.030 2 300 31 31 LYS HB3 H 1.652 0.030 2 301 31 31 LYS HD2 H 1.693 0.030 1 302 31 31 LYS HD3 H 1.693 0.030 1 303 31 31 LYS HE2 H 3.023 0.030 1 304 31 31 LYS HE3 H 3.023 0.030 1 305 31 31 LYS HG2 H 1.586 0.030 2 306 31 31 LYS HG3 H 1.361 0.030 2 307 31 31 LYS C C 176.358 0.300 1 308 31 31 LYS CA C 55.601 0.300 1 309 31 31 LYS CB C 33.445 0.300 1 310 31 31 LYS CD C 29.276 0.300 1 311 31 31 LYS CE C 42.131 0.300 1 312 31 31 LYS CG C 25.569 0.300 1 313 31 31 LYS N N 122.124 0.300 1 314 32 32 LEU H H 8.984 0.030 1 315 32 32 LEU HA H 4.949 0.030 1 316 32 32 LEU HB2 H 1.360 0.030 2 317 32 32 LEU HB3 H 1.310 0.030 2 318 32 32 LEU HD1 H 0.784 0.030 1 319 32 32 LEU HD2 H 0.800 0.030 1 320 32 32 LEU HG H 1.503 0.030 1 321 32 32 LEU C C 175.581 0.300 1 322 32 32 LEU CA C 53.047 0.300 1 323 32 32 LEU CB C 46.630 0.300 1 324 32 32 LEU CD1 C 27.903 0.300 2 325 32 32 LEU CD2 C 23.505 0.300 2 326 32 32 LEU CG C 26.443 0.300 1 327 32 32 LEU N N 122.753 0.300 1 328 33 33 GLU H H 8.485 0.030 1 329 33 33 GLU HA H 4.830 0.030 1 330 33 33 GLU HB2 H 1.970 0.030 2 331 33 33 GLU HB3 H 1.869 0.030 2 332 33 33 GLU HG2 H 2.192 0.030 2 333 33 33 GLU HG3 H 1.992 0.030 2 334 33 33 GLU C C 175.946 0.300 1 335 33 33 GLU CA C 54.920 0.300 1 336 33 33 GLU CB C 31.879 0.300 1 337 33 33 GLU CG C 36.449 0.300 1 338 33 33 GLU N N 120.787 0.300 1 339 34 34 VAL H H 8.990 0.030 1 340 34 34 VAL HA H 4.133 0.030 1 341 34 34 VAL HB H 2.006 0.030 1 342 34 34 VAL HG1 H 0.626 0.030 1 343 34 34 VAL HG2 H 0.955 0.030 1 344 34 34 VAL C C 175.484 0.300 1 345 34 34 VAL CA C 63.178 0.300 1 346 34 34 VAL CB C 31.962 0.300 1 347 34 34 VAL CG1 C 22.567 0.300 2 348 34 34 VAL CG2 C 21.084 0.300 2 349 34 34 VAL N N 125.571 0.300 1 350 35 35 LEU H H 9.226 0.030 1 351 35 35 LEU HA H 4.433 0.030 1 352 35 35 LEU HB2 H 1.522 0.030 2 353 35 35 LEU HB3 H 1.368 0.030 2 354 35 35 LEU HD1 H 0.767 0.030 1 355 35 35 LEU HD2 H 0.732 0.030 1 356 35 35 LEU HG H 1.518 0.030 1 357 35 35 LEU C C 177.427 0.300 1 358 35 35 LEU CA C 55.812 0.300 1 359 35 35 LEU CB C 41.850 0.300 1 360 35 35 LEU CD1 C 25.204 0.300 2 361 35 35 LEU CD2 C 22.567 0.300 2 362 35 35 LEU CG C 27.378 0.300 1 363 35 35 LEU N N 129.319 0.300 1 364 36 36 ASP H H 7.654 0.030 1 365 36 36 ASP HA H 4.615 0.030 1 366 36 36 ASP HB2 H 2.791 0.030 2 367 36 36 ASP HB3 H 2.653 0.030 2 368 36 36 ASP C C 174.902 0.300 1 369 36 36 ASP CA C 54.773 0.300 1 370 36 36 ASP CB C 43.708 0.300 1 371 36 36 ASP N N 116.492 0.300 1 372 37 37 HIS HA H 3.862 0.030 1 373 37 37 HIS HB2 H 1.973 0.030 2 374 37 37 HIS HB3 H 1.112 0.030 2 375 37 37 HIS HD2 H 6.404 0.030 1 376 37 37 HIS HE1 H 7.714 0.030 1 377 37 37 HIS C C 174.367 0.300 1 378 37 37 HIS CA C 53.659 0.300 1 379 37 37 HIS CB C 27.686 0.300 1 380 37 37 HIS CD2 C 121.755 0.300 1 381 37 37 HIS CE1 C 138.034 0.300 1 382 38 38 SER H H 8.182 0.030 1 383 38 38 SER HA H 4.231 0.030 1 384 38 38 SER HB2 H 3.951 0.030 2 385 38 38 SER HB3 H 3.829 0.030 2 386 38 38 SER C C 174.999 0.300 1 387 38 38 SER CA C 60.694 0.300 1 388 38 38 SER CB C 64.182 0.300 1 389 38 38 SER N N 116.602 0.300 1 390 39 39 LYS H H 8.373 0.030 1 391 39 39 LYS HA H 4.803 0.030 1 392 39 39 LYS HB2 H 2.310 0.030 2 393 39 39 LYS HB3 H 2.177 0.030 2 394 39 39 LYS HD2 H 1.795 0.030 2 395 39 39 LYS HD3 H 1.768 0.030 2 396 39 39 LYS HE2 H 3.077 0.030 1 397 39 39 LYS HE3 H 3.077 0.030 1 398 39 39 LYS HG2 H 1.652 0.030 2 399 39 39 LYS HG3 H 1.545 0.030 2 400 39 39 LYS C C 175.921 0.300 1 401 39 39 LYS CA C 55.442 0.300 1 402 39 39 LYS CB C 33.767 0.300 1 403 39 39 LYS CD C 28.921 0.300 1 404 39 39 LYS CE C 42.388 0.300 1 405 39 39 LYS CG C 25.133 0.300 1 406 39 39 LYS N N 122.545 0.300 1 407 40 40 ARG HA H 4.265 0.030 1 408 40 40 ARG HB2 H 1.926 0.030 1 409 40 40 ARG HB3 H 1.926 0.030 1 410 40 40 ARG HD2 H 3.217 0.030 1 411 40 40 ARG HD3 H 3.217 0.030 1 412 40 40 ARG HG2 H 1.719 0.030 2 413 40 40 ARG HG3 H 1.653 0.030 2 414 40 40 ARG C C 177.038 0.300 1 415 40 40 ARG CA C 58.405 0.300 1 416 40 40 ARG CB C 30.354 0.300 1 417 40 40 ARG CD C 43.220 0.300 1 418 40 40 ARG CG C 27.640 0.300 1 419 41 41 TRP H H 7.637 0.030 1 420 41 41 TRP HA H 4.991 0.030 1 421 41 41 TRP HB2 H 3.039 0.030 2 422 41 41 TRP HB3 H 3.106 0.030 2 423 41 41 TRP HD1 H 7.172 0.030 1 424 41 41 TRP HE1 H 10.169 0.030 1 425 41 41 TRP HE3 H 7.128 0.030 1 426 41 41 TRP HH2 H 7.326 0.030 1 427 41 41 TRP HZ2 H 7.500 0.030 1 428 41 41 TRP HZ3 H 6.964 0.030 1 429 41 41 TRP C C 175.849 0.300 1 430 41 41 TRP CA C 56.632 0.300 1 431 41 41 TRP CB C 29.654 0.300 1 432 41 41 TRP CD1 C 126.298 0.300 1 433 41 41 TRP CE3 C 119.326 0.300 1 434 41 41 TRP CH2 C 125.234 0.300 1 435 41 41 TRP CZ2 C 114.757 0.300 1 436 41 41 TRP CZ3 C 122.008 0.300 1 437 41 41 TRP N N 118.668 0.300 1 438 41 41 TRP NE1 N 129.885 0.300 1 439 42 42 TRP H H 9.470 0.030 1 440 42 42 TRP HA H 5.383 0.030 1 441 42 42 TRP HB2 H 3.071 0.030 2 442 42 42 TRP HB3 H 2.837 0.030 2 443 42 42 TRP HD1 H 7.150 0.030 1 444 42 42 TRP HE1 H 9.791 0.030 1 445 42 42 TRP HE3 H 7.144 0.030 1 446 42 42 TRP HH2 H 7.150 0.030 1 447 42 42 TRP HZ2 H 7.567 0.030 1 448 42 42 TRP HZ3 H 7.029 0.030 1 449 42 42 TRP C C 174.634 0.300 1 450 42 42 TRP CA C 54.810 0.300 1 451 42 42 TRP CB C 31.302 0.300 1 452 42 42 TRP CD1 C 125.053 0.300 1 453 42 42 TRP CE3 C 120.856 0.300 1 454 42 42 TRP CH2 C 124.754 0.300 1 455 42 42 TRP CZ2 C 114.846 0.300 1 456 42 42 TRP CZ3 C 121.325 0.300 1 457 42 42 TRP N N 125.895 0.300 1 458 42 42 TRP NE1 N 130.028 0.300 1 459 43 43 LEU H H 8.389 0.030 1 460 43 43 LEU HA H 4.213 0.030 1 461 43 43 LEU HB2 H 1.718 0.030 2 462 43 43 LEU HB3 H 1.117 0.030 2 463 43 43 LEU HD1 H 0.281 0.030 1 464 43 43 LEU HD2 H 0.809 0.030 1 465 43 43 LEU HG H 1.200 0.030 1 466 43 43 LEU C C 175.849 0.300 1 467 43 43 LEU CA C 54.310 0.300 1 468 43 43 LEU CB C 43.004 0.300 1 469 43 43 LEU CD1 C 21.002 0.300 2 470 43 43 LEU CD2 C 25.864 0.300 2 471 43 43 LEU CG C 27.139 0.300 1 472 43 43 LEU N N 124.538 0.300 1 473 44 44 VAL H H 9.016 0.030 1 474 44 44 VAL HA H 5.467 0.030 1 475 44 44 VAL HB H 2.130 0.030 1 476 44 44 VAL HG1 H 0.991 0.030 1 477 44 44 VAL HG2 H 0.961 0.030 1 478 44 44 VAL C C 173.105 0.300 1 479 44 44 VAL CA C 58.943 0.300 1 480 44 44 VAL CB C 36.411 0.300 1 481 44 44 VAL CG1 C 21.249 0.300 2 482 44 44 VAL CG2 C 18.859 0.300 2 483 44 44 VAL N N 121.629 0.300 1 484 45 45 LYS H H 8.963 0.030 1 485 45 45 LYS HA H 5.317 0.030 1 486 45 45 LYS HB2 H 1.671 0.030 2 487 45 45 LYS HB3 H 1.501 0.030 2 488 45 45 LYS HD2 H 1.643 0.030 1 489 45 45 LYS HD3 H 1.643 0.030 1 490 45 45 LYS HE2 H 2.907 0.030 1 491 45 45 LYS HE3 H 2.907 0.030 1 492 45 45 LYS HG2 H 1.636 0.030 2 493 45 45 LYS HG3 H 1.167 0.030 2 494 45 45 LYS C C 176.213 0.300 1 495 45 45 LYS CA C 54.501 0.300 1 496 45 45 LYS CB C 37.235 0.300 1 497 45 45 LYS CD C 29.983 0.300 1 498 45 45 LYS CE C 41.825 0.300 1 499 45 45 LYS CG C 24.326 0.300 1 500 45 45 LYS N N 119.542 0.300 1 501 46 46 ASN H H 8.847 0.030 1 502 46 46 ASN HA H 5.015 0.030 1 503 46 46 ASN HB2 H 3.759 0.030 2 504 46 46 ASN HB3 H 2.735 0.030 2 505 46 46 ASN HD21 H 8.992 0.030 2 506 46 46 ASN HD22 H 6.583 0.030 2 507 46 46 ASN C C 177.597 0.300 1 508 46 46 ASN CA C 51.087 0.300 1 509 46 46 ASN CB C 39.790 0.300 1 510 46 46 ASN N N 124.965 0.300 1 511 46 46 ASN ND2 N 111.674 0.300 1 512 47 47 GLU H H 9.337 0.030 1 513 47 47 GLU HA H 4.072 0.030 1 514 47 47 GLU HB2 H 2.156 0.030 1 515 47 47 GLU HB3 H 2.156 0.030 1 516 47 47 GLU HG2 H 2.562 0.030 2 517 47 47 GLU HG3 H 2.343 0.030 2 518 47 47 GLU C C 177.403 0.300 1 519 47 47 GLU CA C 59.446 0.300 1 520 47 47 GLU CB C 29.654 0.300 1 521 47 47 GLU CG C 37.294 0.300 1 522 47 47 GLU N N 120.183 0.300 1 523 48 48 ALA H H 7.671 0.030 1 524 48 48 ALA HA H 4.403 0.030 1 525 48 48 ALA HB H 1.488 0.030 1 526 48 48 ALA C C 177.961 0.300 1 527 48 48 ALA CA C 52.361 0.300 1 528 48 48 ALA CB C 18.530 0.300 1 529 48 48 ALA N N 120.499 0.300 1 530 49 49 GLY H H 8.203 0.030 1 531 49 49 GLY HA2 H 4.345 0.030 2 532 49 49 GLY HA3 H 3.523 0.030 2 533 49 49 GLY C C 174.392 0.300 1 534 49 49 GLY CA C 45.233 0.300 1 535 49 49 GLY N N 106.765 0.300 1 536 50 50 ARG H H 8.243 0.030 1 537 50 50 ARG HA H 4.482 0.030 1 538 50 50 ARG HB2 H 1.889 0.030 2 539 50 50 ARG HB3 H 1.780 0.030 2 540 50 50 ARG HD2 H 3.258 0.030 1 541 50 50 ARG HD3 H 3.258 0.030 1 542 50 50 ARG HG2 H 1.768 0.030 2 543 50 50 ARG HG3 H 1.624 0.030 2 544 50 50 ARG C C 174.562 0.300 1 545 50 50 ARG CA C 55.637 0.300 1 546 50 50 ARG CB C 30.973 0.300 1 547 50 50 ARG CD C 43.170 0.300 1 548 50 50 ARG CG C 27.842 0.300 1 549 50 50 ARG N N 123.341 0.300 1 550 51 51 SER H H 8.471 0.030 1 551 51 51 SER HA H 6.031 0.030 1 552 51 51 SER HB2 H 3.725 0.030 2 553 51 51 SER HB3 H 3.561 0.030 2 554 51 51 SER C C 174.416 0.300 1 555 51 51 SER CA C 55.887 0.300 1 556 51 51 SER CB C 67.231 0.300 1 557 51 51 SER N N 115.055 0.300 1 558 52 52 GLY H H 8.614 0.030 1 559 52 52 GLY HA2 H 3.949 0.030 1 560 52 52 GLY HA3 H 3.949 0.030 1 561 52 52 GLY C C 170.628 0.300 1 562 52 52 GLY CA C 45.210 0.300 1 563 52 52 GLY N N 107.027 0.300 1 564 53 53 TYR H H 9.108 0.030 1 565 53 53 TYR HA H 5.775 0.030 1 566 53 53 TYR HB2 H 3.124 0.030 2 567 53 53 TYR HB3 H 2.763 0.030 2 568 53 53 TYR HD1 H 7.074 0.030 1 569 53 53 TYR HD2 H 7.074 0.030 1 570 53 53 TYR HE1 H 6.846 0.030 1 571 53 53 TYR HE2 H 6.846 0.030 1 572 53 53 TYR C C 176.650 0.300 1 573 53 53 TYR CA C 58.985 0.300 1 574 53 53 TYR CB C 41.603 0.300 1 575 53 53 TYR CD1 C 133.062 0.300 1 576 53 53 TYR CD2 C 133.062 0.300 1 577 53 53 TYR CE1 C 118.596 0.300 1 578 53 53 TYR CE2 C 118.596 0.300 1 579 53 53 TYR N N 118.909 0.300 1 580 54 54 ILE H H 8.884 0.030 1 581 54 54 ILE HA H 4.662 0.030 1 582 54 54 ILE HB H 1.443 0.030 1 583 54 54 ILE HD1 H 0.713 0.030 1 584 54 54 ILE HG12 H 1.250 0.030 2 585 54 54 ILE HG13 H 1.066 0.030 2 586 54 54 ILE HG2 H 1.173 0.030 1 587 54 54 ILE C C 172.376 0.300 1 588 54 54 ILE CA C 58.369 0.300 1 589 54 54 ILE CB C 39.766 0.300 1 590 54 54 ILE CD1 C 15.715 0.300 1 591 54 54 ILE CG1 C 24.415 0.300 1 592 54 54 ILE CG2 C 19.795 0.300 1 593 54 54 ILE N N 112.136 0.300 1 594 55 55 PRO HA H 3.343 0.030 1 595 55 55 PRO HB2 H 1.438 0.030 2 596 55 55 PRO HB3 H 1.239 0.030 2 597 55 55 PRO HD2 H 2.207 0.030 2 598 55 55 PRO HD3 H 1.837 0.030 2 599 55 55 PRO HG2 H 1.400 0.030 2 600 55 55 PRO HG3 H 0.747 0.030 2 601 55 55 PRO C C 177.403 0.300 1 602 55 55 PRO CA C 62.005 0.300 1 603 55 55 PRO CB C 30.890 0.300 1 604 55 55 PRO CD C 48.888 0.300 1 605 55 55 PRO CG C 27.360 0.300 1 606 56 56 SER H H 7.557 0.030 1 607 56 56 SER HA H 2.665 0.030 1 608 56 56 SER HB2 H 2.347 0.030 2 609 56 56 SER HB3 H 2.152 0.030 2 610 56 56 SER C C 175.339 0.300 1 611 56 56 SER CA C 60.406 0.300 1 612 56 56 SER CB C 61.050 0.300 1 613 56 56 SER N N 115.592 0.300 1 614 57 57 ASN H H 7.489 0.030 1 615 57 57 ASN HA H 4.442 0.030 1 616 57 57 ASN HB2 H 2.950 0.030 2 617 57 57 ASN HB3 H 2.590 0.030 2 618 57 57 ASN HD21 H 7.403 0.030 2 619 57 57 ASN HD22 H 6.590 0.030 2 620 57 57 ASN C C 175.897 0.300 1 621 57 57 ASN CA C 54.075 0.300 1 622 57 57 ASN CB C 37.153 0.300 1 623 57 57 ASN N N 115.373 0.300 1 624 57 57 ASN ND2 N 111.147 0.300 1 625 58 58 ILE H H 6.859 0.030 1 626 58 58 ILE HA H 4.599 0.030 1 627 58 58 ILE HB H 2.581 0.030 1 628 58 58 ILE HD1 H 0.841 0.030 1 629 58 58 ILE HG12 H 1.459 0.030 2 630 58 58 ILE HG13 H 0.991 0.030 2 631 58 58 ILE HG2 H 0.796 0.030 1 632 58 58 ILE C C 174.197 0.300 1 633 58 58 ILE CA C 61.419 0.300 1 634 58 58 ILE CB C 37.235 0.300 1 635 58 58 ILE CD1 C 15.342 0.300 1 636 58 58 ILE CG1 C 24.957 0.300 1 637 58 58 ILE CG2 C 17.414 0.300 1 638 58 58 ILE N N 110.920 0.300 1 639 59 59 LEU H H 7.033 0.030 1 640 59 59 LEU HA H 5.045 0.030 1 641 59 59 LEU HB2 H 1.637 0.030 2 642 59 59 LEU HB3 H 1.293 0.030 2 643 59 59 LEU HD1 H 0.794 0.030 1 644 59 59 LEU HD2 H 0.651 0.030 1 645 59 59 LEU HG H 1.395 0.030 1 646 59 59 LEU C C 175.946 0.300 1 647 59 59 LEU CA C 53.400 0.300 1 648 59 59 LEU CB C 45.311 0.300 1 649 59 59 LEU CD1 C 26.688 0.300 2 650 59 59 LEU CD2 C 24.463 0.300 2 651 59 59 LEU CG C 26.688 0.300 1 652 59 59 LEU N N 119.761 0.300 1 653 60 60 GLU H H 9.009 0.030 1 654 60 60 GLU HA H 4.877 0.030 1 655 60 60 GLU HB2 H 2.092 0.030 2 656 60 60 GLU HB3 H 1.849 0.030 2 657 60 60 GLU HG2 H 2.278 0.030 2 658 60 60 GLU HG3 H 2.168 0.030 2 659 60 60 GLU C C 172.619 0.300 1 660 60 60 GLU CA C 53.362 0.300 1 661 60 60 GLU CB C 31.422 0.300 1 662 60 60 GLU CG C 35.354 0.300 1 663 60 60 GLU N N 119.845 0.300 1 664 61 61 PRO HA H 4.720 0.030 1 665 61 61 PRO HB2 H 2.372 0.030 2 666 61 61 PRO HB3 H 1.828 0.030 2 667 61 61 PRO HD2 H 3.784 0.030 2 668 61 61 PRO HD3 H 3.656 0.030 2 669 61 61 PRO HG2 H 2.060 0.030 2 670 61 61 PRO HG3 H 1.894 0.030 2 671 61 61 PRO C C 176.650 0.300 1 672 61 61 PRO CA C 63.087 0.300 1 673 61 61 PRO CB C 32.209 0.300 1 674 61 61 PRO CD C 50.948 0.300 1 675 61 61 PRO CG C 27.825 0.300 1 676 62 62 LEU H H 8.474 0.030 1 677 62 62 LEU HA H 4.256 0.030 1 678 62 62 LEU HB2 H 1.579 0.030 1 679 62 62 LEU HB3 H 1.579 0.030 1 680 62 62 LEU HD1 H 0.832 0.030 1 681 62 62 LEU HD2 H 0.881 0.030 1 682 62 62 LEU HG H 1.675 0.030 1 683 62 62 LEU C C 177.597 0.300 1 684 62 62 LEU CA C 55.369 0.300 1 685 62 62 LEU CB C 42.180 0.300 1 686 62 62 LEU CD1 C 23.918 0.300 2 687 62 62 LEU CD2 C 25.365 0.300 2 688 62 62 LEU CG C 27.180 0.300 1 689 62 62 LEU N N 121.367 0.300 1 690 63 63 SER H H 8.265 0.030 1 691 63 63 SER HA H 4.500 0.030 1 692 63 63 SER HB2 H 3.891 0.030 1 693 63 63 SER HB3 H 3.891 0.030 1 694 63 63 SER C C 174.537 0.300 1 695 63 63 SER CA C 58.171 0.300 1 696 63 63 SER CB C 64.099 0.300 1 697 63 63 SER N N 116.810 0.300 1 698 64 64 GLY H H 8.271 0.030 1 699 64 64 GLY HA2 H 4.161 0.030 2 700 64 64 GLY HA3 H 4.119 0.030 2 701 64 64 GLY C C 171.842 0.300 1 702 64 64 GLY CA C 44.724 0.300 1 703 64 64 GLY N N 110.547 0.300 1 704 65 65 PRO HA H 4.490 0.030 1 705 65 65 PRO HB2 H 2.314 0.030 2 706 65 65 PRO HB3 H 1.995 0.030 2 707 65 65 PRO HD2 H 3.637 0.030 1 708 65 65 PRO HD3 H 3.637 0.030 1 709 65 65 PRO HG2 H 2.036 0.030 1 710 65 65 PRO HG3 H 2.036 0.030 1 711 65 65 PRO CA C 63.307 0.300 1 712 65 65 PRO CB C 32.219 0.300 1 713 65 65 PRO CD C 49.811 0.300 1 714 65 65 PRO CG C 27.176 0.300 1 stop_ save_