data_11193 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the first SH3 domain from human KIAA0418 protein ; _BMRB_accession_number 11193 _BMRB_flat_file_name bmr11193.str _Entry_type original _Submission_date 2010-07-21 _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 Inoue K. . . 2 Kurosaki C. . . 3 Yoshida M. . . 4 Hayashi F. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 375 "13C chemical shifts" 280 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the first SH3 domain from human KIAA0418 protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Inoue K. . . 2 Kurosaki C. . . 3 Yoshida M. . . 4 Hayashi F. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SH3 and PX domain-containing protein 2A' _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 ; GSSGSSGLEQYVVVSNYKKQ ENSELSLQAGEVVDVIEKNE SGWWFVSTSEEQGWVPATYL EAQNSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 GLU 10 GLN 11 TYR 12 VAL 13 VAL 14 VAL 15 SER 16 ASN 17 TYR 18 LYS 19 LYS 20 GLN 21 GLU 22 ASN 23 SER 24 GLU 25 LEU 26 SER 27 LEU 28 GLN 29 ALA 30 GLY 31 GLU 32 VAL 33 VAL 34 ASP 35 VAL 36 ILE 37 GLU 38 LYS 39 ASN 40 GLU 41 SER 42 GLY 43 TRP 44 TRP 45 PHE 46 VAL 47 SER 48 THR 49 SER 50 GLU 51 GLU 52 GLN 53 GLY 54 TRP 55 VAL 56 PRO 57 ALA 58 THR 59 TYR 60 LEU 61 GLU 62 ALA 63 GLN 64 ASN 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 2EGA "Solution Structure Of The First Sh3 Domain From Human Kiaa0418 Protein" 100.00 70 100.00 100.00 2.52e-39 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 P050905-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.13mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.13 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_Delta_NMR _Saveframe_category software _Name 'Delta NMR' _Version 4.3.2 loop_ _Vendor _Address _Electronic_address JEOL . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060324 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 0.9807 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model ECA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Delta_NMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 4.485 0.030 1 2 6 6 SER HB2 H 3.901 0.030 1 3 6 6 SER HB3 H 3.901 0.030 1 4 6 6 SER C C 174.842 0.300 1 5 6 6 SER CA C 58.438 0.300 1 6 6 6 SER CB C 63.772 0.300 1 7 7 7 GLY H H 8.397 0.030 1 8 7 7 GLY HA2 H 3.937 0.030 1 9 7 7 GLY HA3 H 3.937 0.030 1 10 7 7 GLY C C 173.657 0.300 1 11 7 7 GLY CA C 45.085 0.300 1 12 7 7 GLY N N 110.598 0.300 1 13 8 8 LEU H H 8.005 0.030 1 14 8 8 LEU HA H 4.468 0.030 1 15 8 8 LEU HB2 H 1.536 0.030 2 16 8 8 LEU HB3 H 1.582 0.030 2 17 8 8 LEU HD1 H 0.837 0.030 1 18 8 8 LEU HD2 H 0.880 0.030 1 19 8 8 LEU HG H 1.565 0.030 1 20 8 8 LEU C C 177.001 0.300 1 21 8 8 LEU CA C 54.452 0.300 1 22 8 8 LEU CB C 42.202 0.300 1 23 8 8 LEU CD1 C 25.196 0.300 2 24 8 8 LEU CD2 C 22.782 0.300 2 25 8 8 LEU CG C 26.899 0.300 1 26 8 8 LEU N N 121.156 0.300 1 27 9 9 GLU H H 8.661 0.030 1 28 9 9 GLU HA H 4.383 0.030 1 29 9 9 GLU HB2 H 1.986 0.030 2 30 9 9 GLU HB3 H 2.162 0.030 2 31 9 9 GLU HG2 H 2.363 0.030 2 32 9 9 GLU HG3 H 2.266 0.030 2 33 9 9 GLU C C 175.342 0.300 1 34 9 9 GLU CA C 56.293 0.300 1 35 9 9 GLU CB C 31.539 0.300 1 36 9 9 GLU CG C 36.459 0.300 1 37 9 9 GLU N N 122.240 0.300 1 38 10 10 GLN H H 8.328 0.030 1 39 10 10 GLN HA H 5.445 0.030 1 40 10 10 GLN HB2 H 1.764 0.030 2 41 10 10 GLN HB3 H 1.978 0.030 2 42 10 10 GLN HE21 H 6.702 0.030 2 43 10 10 GLN HE22 H 8.039 0.030 2 44 10 10 GLN HG2 H 2.360 0.030 1 45 10 10 GLN HG3 H 2.360 0.030 1 46 10 10 GLN C C 175.460 0.300 1 47 10 10 GLN CA C 55.225 0.300 1 48 10 10 GLN CB C 30.986 0.300 1 49 10 10 GLN CG C 34.613 0.300 1 50 10 10 GLN N N 120.403 0.300 1 51 10 10 GLN NE2 N 114.099 0.300 1 52 11 11 TYR H H 9.161 0.030 1 53 11 11 TYR HA H 4.906 0.030 1 54 11 11 TYR HB2 H 2.699 0.030 2 55 11 11 TYR HB3 H 2.777 0.030 2 56 11 11 TYR HD1 H 6.892 0.030 1 57 11 11 TYR HD2 H 6.892 0.030 1 58 11 11 TYR HE1 H 6.931 0.030 1 59 11 11 TYR HE2 H 6.931 0.030 1 60 11 11 TYR C C 173.051 0.300 1 61 11 11 TYR CA C 56.548 0.300 1 62 11 11 TYR CB C 42.943 0.300 1 63 11 11 TYR CD1 C 133.170 0.300 1 64 11 11 TYR CD2 C 133.170 0.300 1 65 11 11 TYR CE1 C 117.871 0.300 1 66 11 11 TYR CE2 C 117.871 0.300 1 67 11 11 TYR N N 124.001 0.300 1 68 12 12 VAL H H 9.405 0.030 1 69 12 12 VAL HA H 4.954 0.030 1 70 12 12 VAL HB H 1.874 0.030 1 71 12 12 VAL HG1 H 0.903 0.030 1 72 12 12 VAL HG2 H 0.857 0.030 1 73 12 12 VAL C C 174.789 0.300 1 74 12 12 VAL CA C 59.543 0.300 1 75 12 12 VAL CB C 34.369 0.300 1 76 12 12 VAL CG1 C 21.660 0.300 2 77 12 12 VAL CG2 C 20.558 0.300 2 78 12 12 VAL N N 119.982 0.300 1 79 13 13 VAL H H 8.764 0.030 1 80 13 13 VAL HA H 4.455 0.030 1 81 13 13 VAL HB H 2.268 0.030 1 82 13 13 VAL HG1 H 0.910 0.030 1 83 13 13 VAL HG2 H 0.967 0.030 1 84 13 13 VAL C C 178.712 0.300 1 85 13 13 VAL CA C 62.297 0.300 1 86 13 13 VAL CB C 31.811 0.300 1 87 13 13 VAL CG1 C 23.256 0.300 2 88 13 13 VAL CG2 C 23.386 0.300 2 89 13 13 VAL N N 126.271 0.300 1 90 14 14 VAL H H 9.133 0.030 1 91 14 14 VAL HA H 4.156 0.030 1 92 14 14 VAL HB H 2.080 0.030 1 93 14 14 VAL HG1 H 0.873 0.030 1 94 14 14 VAL HG2 H 0.800 0.030 1 95 14 14 VAL C C 175.434 0.300 1 96 14 14 VAL CA C 63.138 0.300 1 97 14 14 VAL CB C 32.592 0.300 1 98 14 14 VAL CG1 C 21.590 0.300 2 99 14 14 VAL CG2 C 19.438 0.300 2 100 14 14 VAL N N 126.385 0.300 1 101 15 15 SER H H 7.350 0.030 1 102 15 15 SER HA H 4.595 0.030 1 103 15 15 SER HB2 H 3.648 0.030 2 104 15 15 SER HB3 H 3.751 0.030 2 105 15 15 SER C C 170.919 0.300 1 106 15 15 SER CA C 56.914 0.300 1 107 15 15 SER CB C 65.300 0.300 1 108 15 15 SER N N 113.862 0.300 1 109 16 16 ASN H H 8.474 0.030 1 110 16 16 ASN HA H 4.584 0.030 1 111 16 16 ASN HB2 H 2.792 0.030 1 112 16 16 ASN HB3 H 2.792 0.030 1 113 16 16 ASN HD21 H 7.621 0.030 2 114 16 16 ASN HD22 H 6.921 0.030 2 115 16 16 ASN C C 174.802 0.300 1 116 16 16 ASN CA C 53.784 0.300 1 117 16 16 ASN CB C 38.263 0.300 1 118 16 16 ASN N N 118.846 0.300 1 119 16 16 ASN ND2 N 112.234 0.300 1 120 17 17 TYR H H 8.712 0.030 1 121 17 17 TYR HA H 4.467 0.030 1 122 17 17 TYR HB2 H 2.387 0.030 1 123 17 17 TYR HB3 H 2.387 0.030 1 124 17 17 TYR HD1 H 6.745 0.030 1 125 17 17 TYR HD2 H 6.745 0.030 1 126 17 17 TYR HE1 H 6.774 0.030 1 127 17 17 TYR HE2 H 6.774 0.030 1 128 17 17 TYR C C 173.881 0.300 1 129 17 17 TYR CA C 57.908 0.300 1 130 17 17 TYR CB C 41.379 0.300 1 131 17 17 TYR CD1 C 132.734 0.300 1 132 17 17 TYR CD2 C 132.734 0.300 1 133 17 17 TYR CE1 C 117.491 0.300 1 134 17 17 TYR CE2 C 117.491 0.300 1 135 17 17 TYR N N 121.709 0.300 1 136 18 18 LYS H H 7.353 0.030 1 137 18 18 LYS HA H 4.376 0.030 1 138 18 18 LYS HB2 H 1.442 0.030 2 139 18 18 LYS HB3 H 1.502 0.030 2 140 18 18 LYS HD2 H 1.594 0.030 1 141 18 18 LYS HD3 H 1.594 0.030 1 142 18 18 LYS HE2 H 2.936 0.030 1 143 18 18 LYS HE3 H 2.936 0.030 1 144 18 18 LYS HG2 H 1.255 0.030 1 145 18 18 LYS HG3 H 1.255 0.030 1 146 18 18 LYS C C 174.012 0.300 1 147 18 18 LYS CA C 53.761 0.300 1 148 18 18 LYS CB C 33.085 0.300 1 149 18 18 LYS CD C 28.814 0.300 1 150 18 18 LYS CE C 41.900 0.300 1 151 18 18 LYS CG C 24.152 0.300 1 152 18 18 LYS N N 129.238 0.300 1 153 19 19 LYS H H 8.215 0.030 1 154 19 19 LYS HA H 4.114 0.030 1 155 19 19 LYS HB2 H 1.967 0.030 2 156 19 19 LYS HB3 H 1.596 0.030 2 157 19 19 LYS HD2 H 1.635 0.030 2 158 19 19 LYS HD3 H 1.720 0.030 2 159 19 19 LYS HE2 H 3.115 0.030 2 160 19 19 LYS HE3 H 2.958 0.030 2 161 19 19 LYS HG2 H 1.155 0.030 2 162 19 19 LYS HG3 H 1.314 0.030 2 163 19 19 LYS C C 175.987 0.300 1 164 19 19 LYS CA C 56.841 0.300 1 165 19 19 LYS CB C 33.003 0.300 1 166 19 19 LYS CD C 29.842 0.300 1 167 19 19 LYS CE C 42.085 0.300 1 168 19 19 LYS CG C 23.384 0.300 1 169 19 19 LYS N N 124.304 0.300 1 170 20 20 GLN H H 8.964 0.030 1 171 20 20 GLN HA H 4.382 0.030 1 172 20 20 GLN HB2 H 2.309 0.030 1 173 20 20 GLN HB3 H 2.309 0.030 1 174 20 20 GLN HE21 H 7.560 0.030 2 175 20 20 GLN HE22 H 6.851 0.030 2 176 20 20 GLN HG2 H 2.432 0.030 2 177 20 20 GLN HG3 H 2.562 0.030 2 178 20 20 GLN C C 175.381 0.300 1 179 20 20 GLN CA C 55.185 0.300 1 180 20 20 GLN CB C 30.490 0.300 1 181 20 20 GLN CG C 33.860 0.300 1 182 20 20 GLN N N 121.978 0.300 1 183 20 20 GLN NE2 N 113.556 0.300 1 184 21 21 GLU H H 7.405 0.030 1 185 21 21 GLU HA H 4.483 0.030 1 186 21 21 GLU HB2 H 1.791 0.030 2 187 21 21 GLU HB3 H 2.187 0.030 2 188 21 21 GLU HG2 H 2.258 0.030 1 189 21 21 GLU HG3 H 2.258 0.030 1 190 21 21 GLU CA C 54.902 0.300 1 191 21 21 GLU CB C 32.074 0.300 1 192 21 21 GLU CG C 35.441 0.300 1 193 22 22 ASN HA H 4.441 0.030 1 194 22 22 ASN HB2 H 2.913 0.030 1 195 22 22 ASN HB3 H 2.913 0.030 1 196 22 22 ASN HD21 H 7.723 0.030 2 197 22 22 ASN HD22 H 7.018 0.030 2 198 22 22 ASN C C 175.552 0.300 1 199 22 22 ASN CA C 55.996 0.300 1 200 22 22 ASN CB C 38.319 0.300 1 201 22 22 ASN ND2 N 113.180 0.300 1 202 23 23 SER H H 8.115 0.030 1 203 23 23 SER HA H 4.699 0.030 1 204 23 23 SER HB2 H 4.344 0.030 2 205 23 23 SER HB3 H 4.074 0.030 2 206 23 23 SER C C 174.894 0.300 1 207 23 23 SER CA C 58.530 0.300 1 208 23 23 SER CB C 63.135 0.300 1 209 23 23 SER N N 111.564 0.300 1 210 24 24 GLU H H 7.799 0.030 1 211 24 24 GLU HA H 5.532 0.030 1 212 24 24 GLU HB2 H 2.401 0.030 2 213 24 24 GLU HB3 H 2.708 0.030 2 214 24 24 GLU HG2 H 2.312 0.030 2 215 24 24 GLU HG3 H 2.586 0.030 2 216 24 24 GLU C C 175.184 0.300 1 217 24 24 GLU CA C 55.404 0.300 1 218 24 24 GLU CB C 32.582 0.300 1 219 24 24 GLU CG C 36.604 0.300 1 220 24 24 GLU N N 122.170 0.300 1 221 25 25 LEU H H 7.498 0.030 1 222 25 25 LEU HA H 4.654 0.030 1 223 25 25 LEU HB2 H 1.182 0.030 2 224 25 25 LEU HB3 H 1.387 0.030 2 225 25 25 LEU HD1 H 0.650 0.030 1 226 25 25 LEU HD2 H 0.604 0.030 1 227 25 25 LEU HG H 1.307 0.030 1 228 25 25 LEU C C 175.289 0.300 1 229 25 25 LEU CA C 53.664 0.300 1 230 25 25 LEU CB C 44.606 0.300 1 231 25 25 LEU CD1 C 25.659 0.300 2 232 25 25 LEU CD2 C 24.702 0.300 2 233 25 25 LEU CG C 26.448 0.300 1 234 25 25 LEU N N 118.827 0.300 1 235 26 26 SER H H 8.105 0.030 1 236 26 26 SER HA H 4.979 0.030 1 237 26 26 SER HB2 H 3.998 0.030 2 238 26 26 SER HB3 H 3.809 0.030 2 239 26 26 SER C C 173.696 0.300 1 240 26 26 SER CA C 57.814 0.300 1 241 26 26 SER CB C 63.772 0.300 1 242 26 26 SER N N 116.438 0.300 1 243 27 27 LEU H H 9.010 0.030 1 244 27 27 LEU HA H 4.854 0.030 1 245 27 27 LEU HB2 H 1.598 0.030 1 246 27 27 LEU HB3 H 1.598 0.030 1 247 27 27 LEU HD1 H 0.752 0.030 1 248 27 27 LEU HD2 H 0.761 0.030 1 249 27 27 LEU HG H 1.555 0.030 1 250 27 27 LEU C C 175.947 0.300 1 251 27 27 LEU CA C 53.164 0.300 1 252 27 27 LEU CB C 47.735 0.300 1 253 27 27 LEU CD1 C 26.054 0.300 2 254 27 27 LEU CD2 C 23.089 0.300 2 255 27 27 LEU CG C 25.913 0.300 1 256 27 27 LEU N N 122.227 0.300 1 257 28 28 GLN H H 9.298 0.030 1 258 28 28 GLN HA H 4.741 0.030 1 259 28 28 GLN HB2 H 1.889 0.030 2 260 28 28 GLN HB3 H 2.018 0.030 2 261 28 28 GLN HE21 H 6.746 0.030 2 262 28 28 GLN HE22 H 7.577 0.030 2 263 28 28 GLN HG2 H 2.356 0.030 2 264 28 28 GLN HG3 H 2.318 0.030 2 265 28 28 GLN C C 174.749 0.300 1 266 28 28 GLN CA C 53.185 0.300 1 267 28 28 GLN CB C 30.977 0.300 1 268 28 28 GLN CG C 33.929 0.300 1 269 28 28 GLN N N 122.063 0.300 1 270 28 28 GLN NE2 N 112.034 0.300 1 271 29 29 ALA H H 8.536 0.030 1 272 29 29 ALA HA H 3.586 0.030 1 273 29 29 ALA HB H 1.235 0.030 1 274 29 29 ALA C C 178.198 0.300 1 275 29 29 ALA CA C 53.351 0.300 1 276 29 29 ALA CB C 17.684 0.300 1 277 29 29 ALA N N 123.985 0.300 1 278 30 30 GLY H H 9.099 0.030 1 279 30 30 GLY HA2 H 4.404 0.030 2 280 30 30 GLY HA3 H 3.509 0.030 2 281 30 30 GLY C C 174.328 0.300 1 282 30 30 GLY CA C 44.743 0.300 1 283 30 30 GLY N N 111.643 0.300 1 284 31 31 GLU H H 7.940 0.030 1 285 31 31 GLU HA H 4.386 0.030 1 286 31 31 GLU HB2 H 2.308 0.030 2 287 31 31 GLU HB3 H 1.987 0.030 2 288 31 31 GLU HG2 H 2.319 0.030 2 289 31 31 GLU HG3 H 2.407 0.030 2 290 31 31 GLU C C 173.788 0.300 1 291 31 31 GLU CA C 56.848 0.300 1 292 31 31 GLU CB C 30.665 0.300 1 293 31 31 GLU CG C 37.119 0.300 1 294 31 31 GLU N N 121.087 0.300 1 295 32 32 VAL H H 8.239 0.030 1 296 32 32 VAL HA H 4.931 0.030 1 297 32 32 VAL HB H 1.918 0.030 1 298 32 32 VAL HG1 H 0.867 0.030 1 299 32 32 VAL HG2 H 0.959 0.030 1 300 32 32 VAL C C 176.619 0.300 1 301 32 32 VAL CA C 61.156 0.300 1 302 32 32 VAL CB C 33.109 0.300 1 303 32 32 VAL CG1 C 21.542 0.300 2 304 32 32 VAL CG2 C 21.275 0.300 2 305 32 32 VAL N N 120.484 0.300 1 306 33 33 VAL H H 9.223 0.030 1 307 33 33 VAL HA H 4.976 0.030 1 308 33 33 VAL HB H 1.991 0.030 1 309 33 33 VAL HG1 H 0.691 0.030 1 310 33 33 VAL HG2 H 0.718 0.030 1 311 33 33 VAL C C 173.894 0.300 1 312 33 33 VAL CA C 57.978 0.300 1 313 33 33 VAL CB C 34.607 0.300 1 314 33 33 VAL CG1 C 21.907 0.300 2 315 33 33 VAL CG2 C 19.174 0.300 2 316 33 33 VAL N N 118.931 0.300 1 317 34 34 ASP H H 8.550 0.030 1 318 34 34 ASP HA H 5.262 0.030 1 319 34 34 ASP HB2 H 2.606 0.030 2 320 34 34 ASP HB3 H 2.422 0.030 2 321 34 34 ASP C C 176.276 0.300 1 322 34 34 ASP CA C 52.793 0.300 1 323 34 34 ASP CB C 42.411 0.300 1 324 34 34 ASP N N 120.736 0.300 1 325 35 35 VAL H H 8.926 0.030 1 326 35 35 VAL HA H 3.971 0.030 1 327 35 35 VAL HB H 1.900 0.030 1 328 35 35 VAL HG1 H 0.324 0.030 1 329 35 35 VAL HG2 H 0.811 0.030 1 330 35 35 VAL C C 174.460 0.300 1 331 35 35 VAL CA C 63.352 0.300 1 332 35 35 VAL CB C 31.641 0.300 1 333 35 35 VAL CG1 C 21.929 0.300 2 334 35 35 VAL CG2 C 22.786 0.300 2 335 35 35 VAL N N 122.494 0.300 1 336 36 36 ILE H H 8.877 0.030 1 337 36 36 ILE HA H 4.006 0.030 1 338 36 36 ILE HB H 1.673 0.030 1 339 36 36 ILE HD1 H 0.637 0.030 1 340 36 36 ILE HG12 H 1.015 0.030 2 341 36 36 ILE HG13 H 1.418 0.030 2 342 36 36 ILE HG2 H 0.954 0.030 1 343 36 36 ILE C C 176.290 0.300 1 344 36 36 ILE CA C 62.666 0.300 1 345 36 36 ILE CB C 38.636 0.300 1 346 36 36 ILE CD1 C 13.022 0.300 1 347 36 36 ILE CG1 C 28.164 0.300 1 348 36 36 ILE CG2 C 17.198 0.300 1 349 36 36 ILE N N 129.400 0.300 1 350 37 37 GLU H H 7.933 0.030 1 351 37 37 GLU HA H 4.507 0.030 1 352 37 37 GLU HB2 H 1.930 0.030 1 353 37 37 GLU HB3 H 1.930 0.030 1 354 37 37 GLU HG2 H 2.096 0.030 2 355 37 37 GLU HG3 H 2.270 0.030 2 356 37 37 GLU C C 173.999 0.300 1 357 37 37 GLU CA C 55.447 0.300 1 358 37 37 GLU CB C 33.685 0.300 1 359 37 37 GLU CG C 36.169 0.300 1 360 37 37 GLU N N 117.683 0.300 1 361 38 38 LYS H H 8.573 0.030 1 362 38 38 LYS HA H 3.728 0.030 1 363 38 38 LYS HB2 H 1.293 0.030 2 364 38 38 LYS HB3 H 0.989 0.030 2 365 38 38 LYS HD2 H 1.068 0.030 2 366 38 38 LYS HD3 H 0.942 0.030 2 367 38 38 LYS HE2 H 1.678 0.030 2 368 38 38 LYS HE3 H 2.270 0.030 2 369 38 38 LYS HG2 H -1.276 0.030 2 370 38 38 LYS HG3 H 0.341 0.030 2 371 38 38 LYS C C 175.118 0.300 1 372 38 38 LYS CA C 54.613 0.300 1 373 38 38 LYS CB C 33.337 0.300 1 374 38 38 LYS CD C 29.918 0.300 1 375 38 38 LYS CE C 41.323 0.300 1 376 38 38 LYS CG C 23.870 0.300 1 377 38 38 LYS N N 125.801 0.300 1 378 39 39 ASN H H 7.596 0.030 1 379 39 39 ASN HA H 5.073 0.030 1 380 39 39 ASN HB2 H 3.113 0.030 2 381 39 39 ASN HB3 H 3.758 0.030 2 382 39 39 ASN HD21 H 8.038 0.030 2 383 39 39 ASN HD22 H 7.109 0.030 2 384 39 39 ASN C C 176.421 0.300 1 385 39 39 ASN CA C 53.530 0.300 1 386 39 39 ASN CB C 41.632 0.300 1 387 39 39 ASN N N 121.254 0.300 1 388 39 39 ASN ND2 N 114.625 0.300 1 389 40 40 GLU H H 9.349 0.030 1 390 40 40 GLU HA H 4.302 0.030 1 391 40 40 GLU HB2 H 2.234 0.030 2 392 40 40 GLU HB3 H 2.149 0.030 2 393 40 40 GLU HG2 H 2.413 0.030 1 394 40 40 GLU HG3 H 2.413 0.030 1 395 40 40 GLU C C 176.592 0.300 1 396 40 40 GLU CA C 58.415 0.300 1 397 40 40 GLU CB C 29.110 0.300 1 398 40 40 GLU CG C 35.967 0.300 1 399 40 40 GLU N N 126.548 0.300 1 400 41 41 SER H H 9.285 0.030 1 401 41 41 SER HA H 4.403 0.030 1 402 41 41 SER HB2 H 4.076 0.030 2 403 41 41 SER HB3 H 4.176 0.030 2 404 41 41 SER C C 175.605 0.300 1 405 41 41 SER CA C 59.409 0.300 1 406 41 41 SER CB C 63.785 0.300 1 407 41 41 SER N N 116.816 0.300 1 408 42 42 GLY H H 8.321 0.030 1 409 42 42 GLY HA2 H 3.713 0.030 2 410 42 42 GLY HA3 H 4.434 0.030 2 411 42 42 GLY C C 172.985 0.300 1 412 42 42 GLY CA C 44.900 0.300 1 413 42 42 GLY N N 108.439 0.300 1 414 43 43 TRP H H 8.195 0.030 1 415 43 43 TRP HA H 5.007 0.030 1 416 43 43 TRP HB2 H 2.964 0.030 2 417 43 43 TRP HB3 H 3.288 0.030 2 418 43 43 TRP HD1 H 6.963 0.030 1 419 43 43 TRP HE1 H 10.103 0.030 1 420 43 43 TRP HE3 H 7.341 0.030 1 421 43 43 TRP HH2 H 7.314 0.030 1 422 43 43 TRP HZ2 H 7.474 0.030 1 423 43 43 TRP HZ3 H 6.936 0.030 1 424 43 43 TRP C C 174.262 0.300 1 425 43 43 TRP CA C 56.825 0.300 1 426 43 43 TRP CB C 30.106 0.300 1 427 43 43 TRP CD1 C 126.178 0.300 1 428 43 43 TRP CE3 C 119.192 0.300 1 429 43 43 TRP CH2 C 125.635 0.300 1 430 43 43 TRP CZ2 C 114.391 0.300 1 431 43 43 TRP CZ3 C 121.291 0.300 1 432 43 43 TRP N N 123.391 0.300 1 433 43 43 TRP NE1 N 129.505 0.300 1 434 44 44 TRP H H 9.799 0.030 1 435 44 44 TRP HA H 5.846 0.030 1 436 44 44 TRP HB2 H 2.874 0.030 2 437 44 44 TRP HB3 H 2.977 0.030 2 438 44 44 TRP HD1 H 7.305 0.030 1 439 44 44 TRP HE1 H 10.286 0.030 1 440 44 44 TRP HE3 H 6.742 0.030 1 441 44 44 TRP HH2 H 6.970 0.030 1 442 44 44 TRP HZ2 H 7.374 0.030 1 443 44 44 TRP HZ3 H 5.400 0.030 1 444 44 44 TRP C C 173.578 0.300 1 445 44 44 TRP CA C 53.115 0.300 1 446 44 44 TRP CB C 32.252 0.300 1 447 44 44 TRP CD1 C 121.934 0.300 1 448 44 44 TRP CE3 C 121.153 0.300 1 449 44 44 TRP CH2 C 124.664 0.300 1 450 44 44 TRP CZ2 C 113.974 0.300 1 451 44 44 TRP CZ3 C 120.897 0.300 1 452 44 44 TRP N N 123.559 0.300 1 453 44 44 TRP NE1 N 127.692 0.300 1 454 45 45 PHE H H 9.049 0.030 1 455 45 45 PHE HA H 4.375 0.030 1 456 45 45 PHE HB2 H 0.771 0.030 2 457 45 45 PHE HB3 H 2.326 0.030 2 458 45 45 PHE HD1 H 5.723 0.030 1 459 45 45 PHE HD2 H 5.723 0.030 1 460 45 45 PHE HE1 H 7.071 0.030 1 461 45 45 PHE HE2 H 7.071 0.030 1 462 45 45 PHE HZ H 7.094 0.030 1 463 45 45 PHE C C 175.078 0.300 1 464 45 45 PHE CA C 56.417 0.300 1 465 45 45 PHE CB C 39.217 0.300 1 466 45 45 PHE CD1 C 130.625 0.300 1 467 45 45 PHE CD2 C 130.625 0.300 1 468 45 45 PHE CE1 C 130.555 0.300 1 469 45 45 PHE CE2 C 130.555 0.300 1 470 45 45 PHE CZ C 129.202 0.300 1 471 45 45 PHE N N 126.724 0.300 1 472 46 46 VAL H H 8.674 0.030 1 473 46 46 VAL HA H 5.239 0.030 1 474 46 46 VAL HB H 2.096 0.030 1 475 46 46 VAL HG1 H 0.876 0.030 1 476 46 46 VAL HG2 H 0.700 0.030 1 477 46 46 VAL C C 172.696 0.300 1 478 46 46 VAL CA C 58.090 0.300 1 479 46 46 VAL CB C 35.341 0.300 1 480 46 46 VAL CG1 C 21.675 0.300 2 481 46 46 VAL CG2 C 18.999 0.300 2 482 46 46 VAL N N 121.031 0.300 1 483 47 47 SER H H 9.024 0.030 1 484 47 47 SER HA H 5.391 0.030 1 485 47 47 SER HB2 H 3.715 0.030 2 486 47 47 SER HB3 H 3.753 0.030 2 487 47 47 SER C C 175.250 0.300 1 488 47 47 SER CA C 55.719 0.300 1 489 47 47 SER CB C 66.371 0.300 1 490 47 47 SER N N 110.896 0.300 1 491 48 48 THR H H 8.915 0.030 1 492 48 48 THR HA H 4.955 0.030 1 493 48 48 THR HB H 4.850 0.030 1 494 48 48 THR HG2 H 1.217 0.030 1 495 48 48 THR C C 175.105 0.300 1 496 48 48 THR CA C 60.025 0.300 1 497 48 48 THR CB C 70.521 0.300 1 498 48 48 THR CG2 C 22.004 0.300 1 499 48 48 THR N N 116.283 0.300 1 500 49 49 SER H H 8.842 0.030 1 501 49 49 SER HA H 4.233 0.030 1 502 49 49 SER HB2 H 4.050 0.030 1 503 49 49 SER HB3 H 4.050 0.030 1 504 49 49 SER C C 175.065 0.300 1 505 49 49 SER CA C 61.364 0.300 1 506 49 49 SER CB C 62.562 0.300 1 507 49 49 SER N N 114.611 0.300 1 508 50 50 GLU H H 8.019 0.030 1 509 50 50 GLU HA H 4.509 0.030 1 510 50 50 GLU HB2 H 2.159 0.030 2 511 50 50 GLU HB3 H 1.868 0.030 2 512 50 50 GLU HG2 H 2.211 0.030 1 513 50 50 GLU HG3 H 2.211 0.030 1 514 50 50 GLU C C 175.631 0.300 1 515 50 50 GLU CA C 56.706 0.300 1 516 50 50 GLU CB C 32.707 0.300 1 517 50 50 GLU CG C 36.178 0.300 1 518 50 50 GLU N N 116.195 0.300 1 519 51 51 GLU H H 7.758 0.030 1 520 51 51 GLU HA H 4.715 0.030 1 521 51 51 GLU HB2 H 2.064 0.030 2 522 51 51 GLU HB3 H 1.824 0.030 2 523 51 51 GLU HG2 H 2.168 0.030 1 524 51 51 GLU HG3 H 2.168 0.030 1 525 51 51 GLU C C 173.459 0.300 1 526 51 51 GLU CA C 54.950 0.300 1 527 51 51 GLU CB C 34.713 0.300 1 528 51 51 GLU CG C 36.419 0.300 1 529 51 51 GLU N N 117.967 0.300 1 530 52 52 GLN H H 8.260 0.030 1 531 52 52 GLN HA H 5.372 0.030 1 532 52 52 GLN HB2 H 1.743 0.030 1 533 52 52 GLN HB3 H 1.743 0.030 1 534 52 52 GLN HE21 H 7.302 0.030 2 535 52 52 GLN HE22 H 6.736 0.030 2 536 52 52 GLN HG2 H 2.239 0.030 1 537 52 52 GLN HG3 H 2.239 0.030 1 538 52 52 GLN C C 175.052 0.300 1 539 52 52 GLN CA C 53.876 0.300 1 540 52 52 GLN CB C 31.616 0.300 1 541 52 52 GLN CG C 33.092 0.300 1 542 52 52 GLN N N 115.757 0.300 1 543 52 52 GLN NE2 N 110.672 0.300 1 544 53 53 GLY H H 8.147 0.030 1 545 53 53 GLY HA2 H 3.968 0.030 2 546 53 53 GLY HA3 H 3.915 0.030 2 547 53 53 GLY C C 169.957 0.300 1 548 53 53 GLY CA C 45.698 0.300 1 549 53 53 GLY N N 107.657 0.300 1 550 54 54 TRP H H 8.576 0.030 1 551 54 54 TRP HA H 5.662 0.030 1 552 54 54 TRP HB2 H 3.105 0.030 2 553 54 54 TRP HB3 H 3.434 0.030 2 554 54 54 TRP HD1 H 7.526 0.030 1 555 54 54 TRP HE1 H 10.238 0.030 1 556 54 54 TRP HE3 H 7.581 0.030 1 557 54 54 TRP HH2 H 7.197 0.030 1 558 54 54 TRP HZ2 H 7.282 0.030 1 559 54 54 TRP HZ3 H 7.250 0.030 1 560 54 54 TRP C C 176.540 0.300 1 561 54 54 TRP CA C 56.934 0.300 1 562 54 54 TRP CB C 31.311 0.300 1 563 54 54 TRP CD1 C 127.881 0.300 1 564 54 54 TRP CE3 C 120.312 0.300 1 565 54 54 TRP CH2 C 124.068 0.300 1 566 54 54 TRP CZ2 C 115.011 0.300 1 567 54 54 TRP CZ3 C 122.184 0.300 1 568 54 54 TRP N N 120.439 0.300 1 569 54 54 TRP NE1 N 130.517 0.300 1 570 55 55 VAL H H 9.637 0.030 1 571 55 55 VAL HA H 4.906 0.030 1 572 55 55 VAL HB H 1.747 0.030 1 573 55 55 VAL HG1 H 0.896 0.030 1 574 55 55 VAL HG2 H 0.638 0.030 1 575 55 55 VAL C C 171.853 0.300 1 576 55 55 VAL CA C 57.808 0.300 1 577 55 55 VAL CB C 34.919 0.300 1 578 55 55 VAL CG1 C 22.264 0.300 2 579 55 55 VAL CG2 C 19.874 0.300 2 580 55 55 VAL N N 115.242 0.300 1 581 56 56 PRO HA H 3.757 0.030 1 582 56 56 PRO HB2 H 1.392 0.030 1 583 56 56 PRO HB3 H 1.392 0.030 1 584 56 56 PRO HD2 H 2.789 0.030 2 585 56 56 PRO HD3 H 2.209 0.030 2 586 56 56 PRO HG2 H 1.185 0.030 2 587 56 56 PRO HG3 H 0.341 0.030 2 588 56 56 PRO C C 177.804 0.300 1 589 56 56 PRO CA C 61.473 0.300 1 590 56 56 PRO CB C 30.012 0.300 1 591 56 56 PRO CD C 50.180 0.300 1 592 56 56 PRO CG C 27.110 0.300 1 593 57 57 ALA H H 8.027 0.030 1 594 57 57 ALA HA H 2.669 0.030 1 595 57 57 ALA HB H -0.170 0.030 1 596 57 57 ALA C C 178.370 0.300 1 597 57 57 ALA CA C 54.337 0.300 1 598 57 57 ALA CB C 15.633 0.300 1 599 57 57 ALA N N 126.339 0.300 1 600 58 58 THR H H 7.037 0.030 1 601 58 58 THR HA H 3.876 0.030 1 602 58 58 THR HB H 4.042 0.030 1 603 58 58 THR HG2 H 1.056 0.030 1 604 58 58 THR C C 175.513 0.300 1 605 58 58 THR CA C 62.887 0.300 1 606 58 58 THR CB C 68.382 0.300 1 607 58 58 THR CG2 C 21.692 0.300 1 608 58 58 THR N N 104.238 0.300 1 609 59 59 TYR H H 7.431 0.030 1 610 59 59 TYR HA H 4.132 0.030 1 611 59 59 TYR HB2 H 2.586 0.030 2 612 59 59 TYR HB3 H 3.317 0.030 2 613 59 59 TYR HD1 H 7.046 0.030 1 614 59 59 TYR HD2 H 7.046 0.030 1 615 59 59 TYR HE1 H 6.766 0.030 1 616 59 59 TYR HE2 H 6.766 0.030 1 617 59 59 TYR C C 173.341 0.300 1 618 59 59 TYR CA C 59.529 0.300 1 619 59 59 TYR CB C 36.926 0.300 1 620 59 59 TYR CD1 C 132.842 0.300 1 621 59 59 TYR CD2 C 132.842 0.300 1 622 59 59 TYR CE1 C 117.923 0.300 1 623 59 59 TYR CE2 C 117.923 0.300 1 624 59 59 TYR N N 119.901 0.300 1 625 60 60 LEU H H 7.505 0.030 1 626 60 60 LEU HA H 5.383 0.030 1 627 60 60 LEU HB2 H 1.567 0.030 2 628 60 60 LEU HB3 H 1.332 0.030 2 629 60 60 LEU HD1 H 0.567 0.030 1 630 60 60 LEU HD2 H 0.668 0.030 1 631 60 60 LEU HG H 1.316 0.030 1 632 60 60 LEU C C 175.921 0.300 1 633 60 60 LEU CA C 53.179 0.300 1 634 60 60 LEU CB C 45.129 0.300 1 635 60 60 LEU CD1 C 26.495 0.300 2 636 60 60 LEU CD2 C 24.503 0.300 2 637 60 60 LEU CG C 26.778 0.300 1 638 60 60 LEU N N 119.512 0.300 1 639 61 61 GLU H H 9.289 0.030 1 640 61 61 GLU HA H 4.743 0.030 1 641 61 61 GLU HB2 H 1.866 0.030 1 642 61 61 GLU HB3 H 1.866 0.030 1 643 61 61 GLU HG2 H 2.191 0.030 2 644 61 61 GLU HG3 H 2.220 0.030 2 645 61 61 GLU C C 174.354 0.300 1 646 61 61 GLU CA C 54.659 0.300 1 647 61 61 GLU CB C 33.557 0.300 1 648 61 61 GLU CG C 36.048 0.300 1 649 61 61 GLU N N 120.441 0.300 1 650 62 62 ALA H H 8.761 0.030 1 651 62 62 ALA HA H 3.236 0.030 1 652 62 62 ALA HB H 1.151 0.030 1 653 62 62 ALA C C 177.672 0.300 1 654 62 62 ALA CA C 52.693 0.300 1 655 62 62 ALA CB C 18.259 0.300 1 656 62 62 ALA N N 128.117 0.300 1 657 63 63 GLN H H 8.150 0.030 1 658 63 63 GLN HA H 4.257 0.030 1 659 63 63 GLN HB2 H 1.735 0.030 2 660 63 63 GLN HB3 H 1.961 0.030 2 661 63 63 GLN HE21 H 7.298 0.030 2 662 63 63 GLN HE22 H 6.768 0.030 2 663 63 63 GLN HG2 H 2.213 0.030 1 664 63 63 GLN HG3 H 2.213 0.030 1 665 63 63 GLN C C 175.329 0.300 1 666 63 63 GLN CA C 56.062 0.300 1 667 63 63 GLN CB C 29.988 0.300 1 668 63 63 GLN CG C 34.075 0.300 1 669 63 63 GLN N N 120.853 0.300 1 670 63 63 GLN NE2 N 110.969 0.300 1 671 64 64 ASN H H 8.570 0.030 1 672 64 64 ASN HA H 4.762 0.030 1 673 64 64 ASN HB2 H 2.830 0.030 2 674 64 64 ASN HB3 H 2.757 0.030 2 675 64 64 ASN HD21 H 7.616 0.030 2 676 64 64 ASN HD22 H 6.894 0.030 2 677 64 64 ASN C C 174.802 0.300 1 678 64 64 ASN CA C 52.908 0.300 1 679 64 64 ASN CB C 38.888 0.300 1 680 64 64 ASN N N 120.731 0.300 1 681 64 64 ASN ND2 N 113.056 0.300 1 682 65 65 SER H H 8.372 0.030 1 683 65 65 SER HA H 4.512 0.030 1 684 65 65 SER HB2 H 3.882 0.030 1 685 65 65 SER HB3 H 3.882 0.030 1 686 65 65 SER C C 174.433 0.300 1 687 65 65 SER CA C 58.138 0.300 1 688 65 65 SER CB C 63.755 0.300 1 689 65 65 SER N N 116.814 0.300 1 690 66 66 GLY H H 8.287 0.030 1 691 66 66 GLY HA2 H 4.099 0.030 2 692 66 66 GLY HA3 H 4.148 0.030 2 693 66 66 GLY C C 171.616 0.300 1 694 66 66 GLY CA C 44.478 0.300 1 695 66 66 GLY N N 110.639 0.300 1 696 67 67 PRO HA H 4.489 0.030 1 697 67 67 PRO HB2 H 1.978 0.030 2 698 67 67 PRO HB3 H 2.303 0.030 2 699 67 67 PRO HD2 H 3.628 0.030 1 700 67 67 PRO HD3 H 3.628 0.030 1 701 67 67 PRO HG2 H 2.019 0.030 1 702 67 67 PRO HG3 H 2.019 0.030 1 703 67 67 PRO C C 177.251 0.300 1 704 67 67 PRO CA C 63.023 0.300 1 705 67 67 PRO CB C 31.950 0.300 1 706 67 67 PRO CD C 49.605 0.300 1 707 67 67 PRO CG C 26.896 0.300 1 708 68 68 SER H H 8.523 0.030 1 709 68 68 SER HA H 4.518 0.030 1 710 68 68 SER HB2 H 3.918 0.030 1 711 68 68 SER HB3 H 3.918 0.030 1 712 68 68 SER C C 174.539 0.300 1 713 68 68 SER CA C 58.115 0.300 1 714 68 68 SER CB C 63.581 0.300 1 715 68 68 SER N N 116.378 0.300 1 716 69 69 SER H H 8.340 0.030 1 717 69 69 SER HA H 4.509 0.030 1 718 69 69 SER HB2 H 3.901 0.030 1 719 69 69 SER HB3 H 3.901 0.030 1 720 69 69 SER C C 173.788 0.300 1 721 69 69 SER CA C 58.161 0.300 1 722 69 69 SER CB C 63.899 0.300 1 723 69 69 SER N N 117.829 0.300 1 724 70 70 GLY H H 8.047 0.030 1 725 70 70 GLY C C 178.804 0.300 1 726 70 70 GLY CA C 45.818 0.300 1 727 70 70 GLY N N 116.803 0.300 1 stop_ save_