data_10127 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the alpha-helical domain from mouse hypothetical PNPase ; _BMRB_accession_number 10127 _BMRB_flat_file_name bmr10127.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-04 _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 Nagata T. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 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" 574 "13C chemical shifts" 427 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the alpha-helical domain from mouse hypothetical PNPase' _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 Nagata T. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 PNPase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hypothetical PNPase' $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 'alpha-helical domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GSSGSSGPQKIFTPSAEIVK YTKIIAMEKLYAVFTDYEHD KVSRDEAVNKIRLDTEEHLK EKFPEVDQFEIIESFNIVAK EVFRSIILNEYKRCDGRDSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 GLN 10 LYS 11 ILE 12 PHE 13 THR 14 PRO 15 SER 16 ALA 17 GLU 18 ILE 19 VAL 20 LYS 21 TYR 22 THR 23 LYS 24 ILE 25 ILE 26 ALA 27 MET 28 GLU 29 LYS 30 LEU 31 TYR 32 ALA 33 VAL 34 PHE 35 THR 36 ASP 37 TYR 38 GLU 39 HIS 40 ASP 41 LYS 42 VAL 43 SER 44 ARG 45 ASP 46 GLU 47 ALA 48 VAL 49 ASN 50 LYS 51 ILE 52 ARG 53 LEU 54 ASP 55 THR 56 GLU 57 GLU 58 HIS 59 LEU 60 LYS 61 GLU 62 LYS 63 PHE 64 PRO 65 GLU 66 VAL 67 ASP 68 GLN 69 PHE 70 GLU 71 ILE 72 ILE 73 GLU 74 SER 75 PHE 76 ASN 77 ILE 78 VAL 79 ALA 80 LYS 81 GLU 82 VAL 83 PHE 84 ARG 85 SER 86 ILE 87 ILE 88 LEU 89 ASN 90 GLU 91 TYR 92 LYS 93 ARG 94 CYS 95 ASP 96 GLY 97 ARG 98 ASP 99 SER 100 GLY 101 PRO 102 SER 103 SER 104 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 1WHU "Solution Structure Of The Alpha-Helical Domain From Mouse Hypothetical Pnpase" 100.00 104 100.00 100.00 3.73e-68 DBJ BAB23374 "unnamed protein product [Mus musculus]" 87.50 540 100.00 100.00 5.41e-55 DBJ BAE25732 "unnamed protein product [Mus musculus]" 87.50 783 100.00 100.00 4.54e-54 DBJ BAE28862 "unnamed protein product [Mus musculus]" 87.50 783 100.00 100.00 4.41e-54 DBJ BAE36595 "unnamed protein product [Mus musculus]" 87.50 783 100.00 100.00 4.37e-54 DBJ BAE38260 "unnamed protein product [Mus musculus]" 87.50 783 100.00 100.00 4.68e-54 EMBL CAD45436 "polynucleotide phosphorylase-like protein [Mus musculus]" 87.50 783 100.00 100.00 4.41e-54 GB AAH27228 "Pnpt1 protein, partial [Mus musculus]" 87.50 647 100.00 100.00 2.97e-54 GB AAH55826 "Polyribonucleotide nucleotidyltransferase 1 [Mus musculus]" 87.50 783 100.00 100.00 4.41e-54 GB EDL23813 "polyribonucleotide nucleotidyltransferase 1, isoform CRA_a [Mus musculus]" 87.50 783 100.00 100.00 4.41e-54 GB EDL23814 "polyribonucleotide nucleotidyltransferase 1, isoform CRA_b, partial [Mus musculus]" 87.50 551 100.00 100.00 7.80e-55 REF NP_082145 "polyribonucleotide nucleotidyltransferase 1, mitochondrial precursor [Mus musculus]" 87.50 783 100.00 100.00 4.41e-54 REF XP_006514876 "PREDICTED: polyribonucleotide nucleotidyltransferase 1, mitochondrial isoform X2 [Mus musculus]" 69.23 492 100.00 100.00 3.54e-41 REF XP_011242053 "PREDICTED: polyribonucleotide nucleotidyltransferase 1, mitochondrial isoform X1 [Mus musculus]" 87.50 783 100.00 100.00 4.41e-54 SP Q8K1R3 "RecName: Full=Polyribonucleotide nucleotidyltransferase 1, mitochondrial; AltName: Full=3'-5' RNA exonuclease OLD35; AltName: F" 87.50 783 100.00 100.00 4.41e-54 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 mouse 10090 Eukaryota Metazoa Mus musculus 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' . . . . plasmid P031222-56 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.12 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRVIEW _Version 5.0.4 loop_ _Vendor _Address _Electronic_address Johnson . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.901 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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' 100 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'hypothetical PNPase' _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 3 3 SER H H 8.334 0.030 1 2 3 3 SER CB C 63.792 0.300 1 3 3 3 SER N N 117.928 0.300 1 4 8 8 PRO HA H 4.362 0.030 1 5 8 8 PRO HB2 H 1.842 0.030 2 6 8 8 PRO HB3 H 2.213 0.030 2 7 8 8 PRO HG2 H 1.956 0.030 1 8 8 8 PRO HG3 H 1.956 0.030 1 9 8 8 PRO HD2 H 3.560 0.030 1 10 8 8 PRO HD3 H 3.560 0.030 1 11 8 8 PRO C C 176.211 0.300 1 12 8 8 PRO CA C 63.125 0.300 1 13 8 8 PRO CB C 32.450 0.300 1 14 8 8 PRO CG C 27.145 0.300 1 15 8 8 PRO CD C 49.700 0.300 1 16 9 9 GLN H H 8.430 0.030 1 17 9 9 GLN HA H 4.221 0.030 1 18 9 9 GLN HB2 H 1.903 0.030 2 19 9 9 GLN HB3 H 2.006 0.030 2 20 9 9 GLN HG2 H 2.297 0.030 1 21 9 9 GLN HG3 H 2.297 0.030 1 22 9 9 GLN HE21 H 7.460 0.030 2 23 9 9 GLN HE22 H 6.815 0.030 2 24 9 9 GLN C C 175.749 0.300 1 25 9 9 GLN CA C 55.825 0.300 1 26 9 9 GLN CB C 29.575 0.300 1 27 9 9 GLN CG C 33.825 0.300 1 28 9 9 GLN N N 120.832 0.300 1 29 9 9 GLN NE2 N 112.911 0.300 1 30 10 10 LYS H H 8.247 0.030 1 31 10 10 LYS HA H 4.215 0.030 1 32 10 10 LYS HB2 H 1.623 0.030 1 33 10 10 LYS HB3 H 1.623 0.030 1 34 10 10 LYS HG2 H 1.271 0.030 1 35 10 10 LYS HG3 H 1.271 0.030 1 36 10 10 LYS HD2 H 1.578 0.030 1 37 10 10 LYS HD3 H 1.578 0.030 1 38 10 10 LYS HE2 H 2.909 0.030 1 39 10 10 LYS HE3 H 2.909 0.030 1 40 10 10 LYS C C 175.746 0.300 1 41 10 10 LYS CA C 56.075 0.300 1 42 10 10 LYS CB C 33.075 0.300 1 43 10 10 LYS CG C 24.700 0.300 1 44 10 10 LYS CD C 29.014 0.300 1 45 10 10 LYS CE C 42.151 0.300 1 46 10 10 LYS N N 123.251 0.300 1 47 11 11 ILE H H 8.070 0.030 1 48 11 11 ILE HA H 4.100 0.030 1 49 11 11 ILE HB H 1.712 0.030 1 50 11 11 ILE HG12 H 1.075 0.030 2 51 11 11 ILE HG13 H 1.352 0.030 2 52 11 11 ILE HG2 H 0.778 0.030 1 53 11 11 ILE HD1 H 0.764 0.030 1 54 11 11 ILE C C 175.584 0.300 1 55 11 11 ILE CA C 60.543 0.300 1 56 11 11 ILE CB C 38.908 0.300 1 57 11 11 ILE CG1 C 27.200 0.300 1 58 11 11 ILE CG2 C 17.431 0.300 1 59 11 11 ILE CD1 C 12.698 0.300 1 60 11 11 ILE N N 122.693 0.300 1 61 12 12 PHE H H 8.486 0.030 1 62 12 12 PHE HA H 4.609 0.030 1 63 12 12 PHE HB2 H 2.969 0.030 2 64 12 12 PHE HB3 H 2.922 0.030 2 65 12 12 PHE HD1 H 7.149 0.030 1 66 12 12 PHE HD2 H 7.149 0.030 1 67 12 12 PHE C C 174.782 0.300 1 68 12 12 PHE CA C 57.575 0.300 1 69 12 12 PHE CB C 40.094 0.300 1 70 12 12 PHE CD1 C 131.825 0.300 1 71 12 12 PHE CD2 C 131.825 0.300 1 72 12 12 PHE N N 125.989 0.300 1 73 13 13 THR H H 8.120 0.030 1 74 13 13 THR HA H 4.498 0.030 1 75 13 13 THR HB H 3.898 0.030 1 76 13 13 THR HG2 H 1.101 0.030 1 77 13 13 THR C C 171.812 0.300 1 78 13 13 THR CA C 58.950 0.300 1 79 13 13 THR CB C 70.269 0.300 1 80 13 13 THR CG2 C 21.091 0.300 1 81 13 13 THR N N 120.366 0.300 1 82 14 14 PRO HA H 4.372 0.030 1 83 14 14 PRO HB2 H 1.841 0.030 2 84 14 14 PRO HB3 H 2.210 0.030 2 85 14 14 PRO HG2 H 1.835 0.030 2 86 14 14 PRO HG3 H 1.773 0.030 2 87 14 14 PRO HD2 H 3.600 0.030 1 88 14 14 PRO HD3 H 3.600 0.030 1 89 14 14 PRO C C 175.908 0.300 1 90 14 14 PRO CA C 62.061 0.300 1 91 14 14 PRO CB C 32.450 0.300 1 92 14 14 PRO CG C 27.663 0.300 1 93 14 14 PRO CD C 50.825 0.300 1 94 15 15 SER H H 8.825 0.030 1 95 15 15 SER HA H 4.194 0.030 1 96 15 15 SER HB2 H 3.878 0.030 2 97 15 15 SER HB3 H 4.078 0.030 2 98 15 15 SER C C 175.396 0.300 1 99 15 15 SER CA C 58.450 0.300 1 100 15 15 SER CB C 63.792 0.300 1 101 15 15 SER N N 117.853 0.300 1 102 16 16 ALA H H 8.764 0.030 1 103 16 16 ALA HA H 3.992 0.030 1 104 16 16 ALA HB H 1.431 0.030 1 105 16 16 ALA C C 180.575 0.300 1 106 16 16 ALA CA C 55.075 0.300 1 107 16 16 ALA CB C 18.325 0.300 1 108 16 16 ALA N N 126.841 0.300 1 109 17 17 GLU H H 8.494 0.030 1 110 17 17 GLU HA H 4.054 0.030 1 111 17 17 GLU HB2 H 2.008 0.030 1 112 17 17 GLU HB3 H 2.008 0.030 1 113 17 17 GLU HG2 H 2.341 0.030 1 114 17 17 GLU HG3 H 2.341 0.030 1 115 17 17 GLU C C 178.828 0.300 1 116 17 17 GLU CA C 59.392 0.300 1 117 17 17 GLU CB C 29.484 0.300 1 118 17 17 GLU CG C 36.218 0.300 1 119 17 17 GLU N N 117.015 0.300 1 120 18 18 ILE H H 7.402 0.030 1 121 18 18 ILE HA H 3.590 0.030 1 122 18 18 ILE HB H 1.670 0.030 1 123 18 18 ILE HG12 H 0.219 0.030 2 124 18 18 ILE HG13 H 0.945 0.030 2 125 18 18 ILE HG2 H 0.788 0.030 1 126 18 18 ILE HD1 H 0.340 0.030 1 127 18 18 ILE C C 179.707 0.300 1 128 18 18 ILE CA C 64.200 0.300 1 129 18 18 ILE CB C 36.908 0.300 1 130 18 18 ILE CG1 C 27.966 0.300 1 131 18 18 ILE CG2 C 16.950 0.300 1 132 18 18 ILE CD1 C 13.053 0.300 1 133 18 18 ILE N N 120.595 0.300 1 134 19 19 VAL H H 7.961 0.030 1 135 19 19 VAL HA H 3.458 0.030 1 136 19 19 VAL HB H 2.006 0.030 1 137 19 19 VAL HG1 H 0.865 0.030 1 138 19 19 VAL HG2 H 0.996 0.030 1 139 19 19 VAL C C 177.529 0.300 1 140 19 19 VAL CA C 67.408 0.300 1 141 19 19 VAL CB C 31.849 0.300 1 142 19 19 VAL CG1 C 21.148 0.300 2 143 19 19 VAL CG2 C 23.200 0.300 2 144 19 19 VAL N N 125.546 0.300 1 145 20 20 LYS H H 8.139 0.030 1 146 20 20 LYS HA H 3.890 0.030 1 147 20 20 LYS HB2 H 1.919 0.030 1 148 20 20 LYS HB3 H 1.919 0.030 1 149 20 20 LYS HG2 H 1.329 0.030 2 150 20 20 LYS HG3 H 1.541 0.030 2 151 20 20 LYS HD2 H 1.679 0.030 2 152 20 20 LYS HD3 H 1.637 0.030 2 153 20 20 LYS HE2 H 2.903 0.030 1 154 20 20 LYS HE3 H 2.903 0.030 1 155 20 20 LYS C C 179.098 0.300 1 156 20 20 LYS CA C 60.075 0.300 1 157 20 20 LYS CB C 32.450 0.300 1 158 20 20 LYS CG C 25.075 0.300 1 159 20 20 LYS CD C 29.543 0.300 1 160 20 20 LYS CE C 41.932 0.300 1 161 20 20 LYS N N 119.133 0.300 1 162 21 21 TYR H H 7.950 0.030 1 163 21 21 TYR HA H 4.245 0.030 1 164 21 21 TYR HB2 H 3.064 0.030 2 165 21 21 TYR HB3 H 3.398 0.030 2 166 21 21 TYR HD1 H 7.228 0.030 1 167 21 21 TYR HD2 H 7.228 0.030 1 168 21 21 TYR HE1 H 6.799 0.030 1 169 21 21 TYR HE2 H 6.799 0.030 1 170 21 21 TYR C C 177.090 0.300 1 171 21 21 TYR CA C 62.093 0.300 1 172 21 21 TYR CB C 38.804 0.300 1 173 21 21 TYR CD1 C 133.036 0.300 1 174 21 21 TYR CD2 C 133.036 0.300 1 175 21 21 TYR CE1 C 117.950 0.300 1 176 21 21 TYR CE2 C 117.950 0.300 1 177 21 21 TYR N N 118.843 0.300 1 178 22 22 THR H H 8.425 0.030 1 179 22 22 THR HA H 3.653 0.030 1 180 22 22 THR HB H 4.391 0.030 1 181 22 22 THR HG2 H 1.059 0.030 1 182 22 22 THR C C 176.144 0.300 1 183 22 22 THR CA C 68.200 0.300 1 184 22 22 THR CB C 67.450 0.300 1 185 22 22 THR CG2 C 21.158 0.300 1 186 22 22 THR N N 115.988 0.300 1 187 23 23 LYS H H 8.276 0.030 1 188 23 23 LYS HA H 3.759 0.030 1 189 23 23 LYS HB2 H 2.038 0.030 2 190 23 23 LYS HB3 H 1.945 0.030 2 191 23 23 LYS HG2 H 1.255 0.030 2 192 23 23 LYS HG3 H 1.663 0.030 2 193 23 23 LYS HD2 H 1.654 0.030 1 194 23 23 LYS HD3 H 1.654 0.030 1 195 23 23 LYS HE2 H 2.805 0.030 2 196 23 23 LYS HE3 H 2.725 0.030 2 197 23 23 LYS C C 178.818 0.300 1 198 23 23 LYS CA C 61.023 0.300 1 199 23 23 LYS CB C 32.551 0.300 1 200 23 23 LYS CG C 27.950 0.300 1 201 23 23 LYS CD C 29.825 0.300 1 202 23 23 LYS CE C 42.151 0.300 1 203 23 23 LYS N N 120.674 0.300 1 204 24 24 ILE H H 7.642 0.030 1 205 24 24 ILE HA H 3.625 0.030 1 206 24 24 ILE HB H 1.922 0.030 1 207 24 24 ILE HG12 H 1.144 0.030 2 208 24 24 ILE HG13 H 1.710 0.030 2 209 24 24 ILE HG2 H 0.790 0.030 1 210 24 24 ILE HD1 H 0.838 0.030 1 211 24 24 ILE C C 178.702 0.300 1 212 24 24 ILE CA C 65.325 0.300 1 213 24 24 ILE CB C 37.610 0.300 1 214 24 24 ILE CG1 C 29.131 0.300 1 215 24 24 ILE CG2 C 16.825 0.300 1 216 24 24 ILE CD1 C 13.325 0.300 1 217 24 24 ILE N N 119.857 0.300 1 218 25 25 ILE H H 7.681 0.030 1 219 25 25 ILE HA H 4.100 0.030 1 220 25 25 ILE HB H 1.884 0.030 1 221 25 25 ILE HG12 H 1.224 0.030 2 222 25 25 ILE HG13 H 1.272 0.030 2 223 25 25 ILE HG2 H 0.676 0.030 1 224 25 25 ILE HD1 H 0.686 0.030 1 225 25 25 ILE C C 178.697 0.300 1 226 25 25 ILE CA C 62.575 0.300 1 227 25 25 ILE CB C 38.101 0.300 1 228 25 25 ILE CG1 C 26.544 0.300 1 229 25 25 ILE CG2 C 18.413 0.300 1 230 25 25 ILE CD1 C 13.450 0.300 1 231 25 25 ILE N N 112.931 0.300 1 232 26 26 ALA H H 8.469 0.030 1 233 26 26 ALA HA H 4.718 0.030 1 234 26 26 ALA HB H 1.448 0.030 1 235 26 26 ALA C C 177.874 0.300 1 236 26 26 ALA CA C 53.502 0.300 1 237 26 26 ALA CB C 21.450 0.300 1 238 26 26 ALA N N 121.230 0.300 1 239 27 27 MET H H 8.559 0.030 1 240 27 27 MET HA H 3.701 0.030 1 241 27 27 MET HB2 H 2.310 0.030 2 242 27 27 MET HB3 H 2.081 0.030 2 243 27 27 MET HG2 H 2.362 0.030 2 244 27 27 MET HG3 H 2.546 0.030 2 245 27 27 MET HE H 2.051 0.030 1 246 27 27 MET C C 177.034 0.300 1 247 27 27 MET CA C 62.450 0.300 1 248 27 27 MET CB C 33.575 0.300 1 249 27 27 MET CG C 32.450 0.300 1 250 27 27 MET CE C 17.465 0.300 1 251 27 27 MET N N 118.562 0.300 1 252 28 28 GLU H H 8.747 0.030 1 253 28 28 GLU HA H 4.109 0.030 1 254 28 28 GLU HB2 H 1.974 0.030 2 255 28 28 GLU HB3 H 2.022 0.030 2 256 28 28 GLU HG2 H 2.342 0.030 2 257 28 28 GLU HG3 H 2.227 0.030 2 258 28 28 GLU C C 179.916 0.300 1 259 28 28 GLU CA C 59.825 0.300 1 260 28 28 GLU CB C 29.155 0.300 1 261 28 28 GLU CG C 36.854 0.300 1 262 28 28 GLU N N 117.782 0.300 1 263 29 29 LYS H H 7.906 0.030 1 264 29 29 LYS HA H 4.071 0.030 1 265 29 29 LYS HB2 H 1.798 0.030 1 266 29 29 LYS HB3 H 1.798 0.030 1 267 29 29 LYS HG2 H 1.465 0.030 2 268 29 29 LYS HG3 H 1.675 0.030 2 269 29 29 LYS HD2 H 1.735 0.030 1 270 29 29 LYS HD3 H 1.735 0.030 1 271 29 29 LYS HE2 H 3.031 0.030 1 272 29 29 LYS HE3 H 3.031 0.030 1 273 29 29 LYS C C 179.602 0.300 1 274 29 29 LYS CA C 59.450 0.300 1 275 29 29 LYS CB C 33.176 0.300 1 276 29 29 LYS CG C 26.070 0.300 1 277 29 29 LYS CD C 30.152 0.300 1 278 29 29 LYS CE C 42.203 0.300 1 279 29 29 LYS N N 119.757 0.300 1 280 30 30 LEU H H 8.214 0.030 1 281 30 30 LEU HA H 3.860 0.030 1 282 30 30 LEU HB2 H 2.035 0.030 2 283 30 30 LEU HB3 H 1.129 0.030 2 284 30 30 LEU HG H 1.826 0.030 1 285 30 30 LEU HD1 H 0.881 0.030 1 286 30 30 LEU HD2 H 0.496 0.030 1 287 30 30 LEU C C 177.784 0.300 1 288 30 30 LEU CA C 57.450 0.300 1 289 30 30 LEU CB C 42.325 0.300 1 290 30 30 LEU CG C 26.950 0.300 1 291 30 30 LEU CD1 C 23.561 0.300 2 292 30 30 LEU CD2 C 25.616 0.300 2 293 30 30 LEU N N 119.147 0.300 1 294 31 31 TYR H H 8.599 0.030 1 295 31 31 TYR HA H 3.816 0.030 1 296 31 31 TYR HB2 H 2.941 0.030 2 297 31 31 TYR HB3 H 3.048 0.030 2 298 31 31 TYR HD1 H 6.863 0.030 1 299 31 31 TYR HD2 H 6.863 0.030 1 300 31 31 TYR HE1 H 6.654 0.030 1 301 31 31 TYR HE2 H 6.654 0.030 1 302 31 31 TYR C C 178.599 0.300 1 303 31 31 TYR CA C 62.950 0.300 1 304 31 31 TYR CB C 38.325 0.300 1 305 31 31 TYR CD1 C 132.950 0.300 1 306 31 31 TYR CD2 C 132.950 0.300 1 307 31 31 TYR CE1 C 118.200 0.300 1 308 31 31 TYR CE2 C 118.200 0.300 1 309 31 31 TYR N N 119.714 0.300 1 310 32 32 ALA H H 7.715 0.030 1 311 32 32 ALA HA H 4.028 0.030 1 312 32 32 ALA HB H 1.525 0.030 1 313 32 32 ALA C C 179.396 0.300 1 314 32 32 ALA CA C 55.034 0.300 1 315 32 32 ALA CB C 18.069 0.300 1 316 32 32 ALA N N 120.304 0.300 1 317 33 33 VAL H H 7.515 0.030 1 318 33 33 VAL HA H 3.926 0.030 1 319 33 33 VAL HB H 1.995 0.030 1 320 33 33 VAL HG1 H 0.830 0.030 1 321 33 33 VAL HG2 H 1.010 0.030 1 322 33 33 VAL C C 178.245 0.300 1 323 33 33 VAL CA C 65.832 0.300 1 324 33 33 VAL CB C 31.825 0.300 1 325 33 33 VAL CG1 C 23.079 0.300 2 326 33 33 VAL CG2 C 23.555 0.300 2 327 33 33 VAL N N 116.353 0.300 1 328 34 34 PHE H H 8.193 0.030 1 329 34 34 PHE HA H 4.245 0.030 1 330 34 34 PHE HB2 H 2.824 0.030 2 331 34 34 PHE HB3 H 3.142 0.030 2 332 34 34 PHE HD1 H 7.067 0.030 1 333 34 34 PHE HD2 H 7.067 0.030 1 334 34 34 PHE HZ H 7.055 0.030 1 335 34 34 PHE C C 177.053 0.300 1 336 34 34 PHE CA C 62.065 0.300 1 337 34 34 PHE CB C 38.825 0.300 1 338 34 34 PHE CD1 C 130.700 0.300 1 339 34 34 PHE CD2 C 130.700 0.300 1 340 34 34 PHE N N 117.243 0.300 1 341 35 35 THR H H 7.510 0.030 1 342 35 35 THR HA H 4.150 0.030 1 343 35 35 THR HB H 4.219 0.030 1 344 35 35 THR HG2 H 1.024 0.030 1 345 35 35 THR CA C 63.575 0.300 1 346 35 35 THR CB C 69.325 0.300 1 347 35 35 THR CG2 C 21.444 0.300 1 348 36 36 ASP HA H 4.177 0.030 1 349 36 36 ASP HB2 H 2.458 0.030 1 350 36 36 ASP HB3 H 2.458 0.030 1 351 37 37 TYR H H 7.807 0.030 1 352 37 37 TYR HA H 3.919 0.030 1 353 37 37 TYR HB2 H 2.688 0.030 2 354 37 37 TYR HB3 H 3.387 0.030 2 355 37 37 TYR HD1 H 7.112 0.030 1 356 37 37 TYR HD2 H 7.112 0.030 1 357 37 37 TYR HE1 H 6.804 0.030 1 358 37 37 TYR HE2 H 6.804 0.030 1 359 37 37 TYR CB C 38.283 0.300 1 360 37 37 TYR CD1 C 132.950 0.300 1 361 37 37 TYR CD2 C 132.950 0.300 1 362 37 37 TYR CE1 C 118.200 0.300 1 363 37 37 TYR CE2 C 118.200 0.300 1 364 38 38 GLU H H 8.031 0.030 1 365 38 38 GLU HA H 4.290 0.030 1 366 38 38 GLU HB2 H 1.778 0.030 2 367 38 38 GLU HB3 H 1.879 0.030 2 368 38 38 GLU HG2 H 2.231 0.030 2 369 38 38 GLU HG3 H 2.115 0.030 2 370 38 38 GLU C C 178.998 0.300 1 371 38 38 GLU CA C 58.325 0.300 1 372 38 38 GLU CB C 29.075 0.300 1 373 38 38 GLU CG C 35.200 0.300 1 374 39 39 HIS H H 7.902 0.030 1 375 39 39 HIS HA H 4.030 0.030 1 376 39 39 HIS HB2 H 3.750 0.030 2 377 39 39 HIS HB3 H 3.802 0.030 2 378 39 39 HIS HD2 H 7.129 0.030 1 379 39 39 HIS HE1 H 7.812 0.030 1 380 39 39 HIS C C 178.983 0.300 1 381 39 39 HIS CA C 63.064 0.300 1 382 39 39 HIS CB C 31.200 0.300 1 383 39 39 HIS CD2 C 119.091 0.300 1 384 39 39 HIS CE1 C 138.450 0.300 1 385 39 39 HIS N N 114.934 0.300 1 386 40 40 ASP H H 7.812 0.030 1 387 41 41 LYS H H 8.507 0.030 1 388 41 41 LYS HA H 3.796 0.030 1 389 41 41 LYS HB2 H 1.853 0.030 2 390 41 41 LYS HB3 H 1.787 0.030 2 391 41 41 LYS HG2 H 1.428 0.030 2 392 41 41 LYS HG3 H 1.386 0.030 2 393 41 41 LYS HD2 H 1.687 0.030 2 394 41 41 LYS HD3 H 1.618 0.030 2 395 41 41 LYS HE2 H 2.981 0.030 1 396 41 41 LYS HE3 H 2.981 0.030 1 397 41 41 LYS C C 177.420 0.300 1 398 41 41 LYS CA C 60.045 0.300 1 399 41 41 LYS CB C 32.828 0.300 1 400 41 41 LYS CG C 25.075 0.300 1 401 41 41 LYS CD C 29.075 0.300 1 402 41 41 LYS CE C 42.406 0.300 1 403 42 42 VAL H H 7.733 0.030 1 404 42 42 VAL HA H 3.749 0.030 1 405 42 42 VAL HB H 2.080 0.030 1 406 42 42 VAL HG1 H 0.901 0.030 1 407 42 42 VAL HG2 H 1.018 0.030 1 408 42 42 VAL C C 179.301 0.300 1 409 42 42 VAL CA C 66.040 0.300 1 410 42 42 VAL CB C 31.575 0.300 1 411 42 42 VAL CG1 C 20.911 0.300 2 412 42 42 VAL CG2 C 22.510 0.300 2 413 42 42 VAL N N 117.853 0.300 1 414 43 43 SER H H 8.552 0.030 1 415 43 43 SER N N 123.165 0.300 1 416 44 44 ARG HA H 3.395 0.030 1 417 44 44 ARG HB2 H 1.944 0.030 1 418 44 44 ARG HB3 H 1.944 0.030 1 419 44 44 ARG HD2 H 3.396 0.030 1 420 44 44 ARG HD3 H 3.396 0.030 1 421 44 44 ARG CB C 30.000 0.300 1 422 45 45 ASP H H 8.461 0.030 1 423 45 45 ASP HA H 4.253 0.030 1 424 45 45 ASP HB2 H 2.560 0.030 2 425 45 45 ASP HB3 H 2.777 0.030 2 426 45 45 ASP C C 179.590 0.300 1 427 45 45 ASP CA C 57.450 0.300 1 428 45 45 ASP CB C 39.575 0.300 1 429 45 45 ASP N N 119.090 0.300 1 430 46 46 GLU H H 7.801 0.030 1 431 46 46 GLU HA H 4.044 0.030 1 432 46 46 GLU HB2 H 2.045 0.030 1 433 46 46 GLU HB3 H 2.045 0.030 1 434 46 46 GLU HG2 H 2.347 0.030 2 435 46 46 GLU HG3 H 2.202 0.030 2 436 46 46 GLU C C 178.815 0.300 1 437 46 46 GLU CA C 59.200 0.300 1 438 46 46 GLU CB C 29.615 0.300 1 439 46 46 GLU CG C 36.200 0.300 1 440 46 46 GLU N N 120.366 0.300 1 441 47 47 ALA H H 7.929 0.030 1 442 47 47 ALA HA H 4.141 0.030 1 443 47 47 ALA HB H 1.442 0.030 1 444 47 47 ALA C C 181.385 0.300 1 445 47 47 ALA CA C 55.147 0.300 1 446 47 47 ALA CB C 18.575 0.300 1 447 47 47 ALA N N 123.322 0.300 1 448 48 48 VAL H H 8.709 0.030 1 449 48 48 VAL HA H 3.471 0.030 1 450 48 48 VAL HB H 2.183 0.030 1 451 48 48 VAL HG1 H 1.058 0.030 1 452 48 48 VAL HG2 H 0.984 0.030 1 453 48 48 VAL C C 177.548 0.300 1 454 48 48 VAL CA C 67.325 0.300 1 455 48 48 VAL CB C 31.605 0.300 1 456 48 48 VAL CG1 C 21.200 0.300 2 457 48 48 VAL CG2 C 24.450 0.300 2 458 48 48 VAL N N 119.836 0.300 1 459 49 49 ASN H H 8.041 0.030 1 460 49 49 ASN HA H 4.351 0.030 1 461 49 49 ASN HB2 H 2.807 0.030 1 462 49 49 ASN HB3 H 2.807 0.030 1 463 49 49 ASN HD21 H 6.900 0.030 2 464 49 49 ASN HD22 H 7.661 0.030 2 465 49 49 ASN C C 177.113 0.300 1 466 49 49 ASN CA C 56.450 0.300 1 467 49 49 ASN CB C 38.279 0.300 1 468 49 49 ASN N N 118.309 0.300 1 469 49 49 ASN ND2 N 114.212 0.300 1 470 50 50 LYS H H 7.753 0.030 1 471 50 50 LYS HA H 4.008 0.030 1 472 50 50 LYS HB2 H 1.942 0.030 2 473 50 50 LYS HB3 H 1.981 0.030 2 474 50 50 LYS HG2 H 1.543 0.030 2 475 50 50 LYS HG3 H 1.430 0.030 2 476 50 50 LYS HD2 H 1.725 0.030 2 477 50 50 LYS HD3 H 1.642 0.030 2 478 50 50 LYS HE2 H 2.970 0.030 1 479 50 50 LYS HE3 H 2.970 0.030 1 480 50 50 LYS C C 178.690 0.300 1 481 50 50 LYS CA C 59.766 0.300 1 482 50 50 LYS CB C 32.248 0.300 1 483 50 50 LYS CG C 25.325 0.300 1 484 50 50 LYS CD C 28.825 0.300 1 485 50 50 LYS CE C 42.283 0.300 1 486 50 50 LYS N N 119.681 0.300 1 487 51 51 ILE H H 7.641 0.030 1 488 51 51 ILE HA H 3.931 0.030 1 489 51 51 ILE HB H 2.006 0.030 1 490 51 51 ILE HG12 H 1.059 0.030 2 491 51 51 ILE HG13 H 1.894 0.030 2 492 51 51 ILE HG2 H 1.083 0.030 1 493 51 51 ILE HD1 H 0.791 0.030 1 494 51 51 ILE C C 179.694 0.300 1 495 51 51 ILE CA C 64.677 0.300 1 496 51 51 ILE CB C 38.575 0.300 1 497 51 51 ILE CG1 C 29.315 0.300 1 498 51 51 ILE CG2 C 17.825 0.300 1 499 51 51 ILE CD1 C 15.375 0.300 1 500 51 51 ILE N N 119.605 0.300 1 501 52 52 ARG H H 8.986 0.030 1 502 52 52 ARG HA H 2.568 0.030 1 503 52 52 ARG HB2 H 1.163 0.030 2 504 52 52 ARG HB3 H 1.760 0.030 2 505 52 52 ARG HG2 H 0.890 0.030 2 506 52 52 ARG HG3 H 0.516 0.030 2 507 52 52 ARG HD2 H 2.944 0.030 2 508 52 52 ARG HD3 H 3.016 0.030 2 509 52 52 ARG HE H 7.154 0.030 1 510 52 52 ARG C C 177.569 0.300 1 511 52 52 ARG CA C 60.450 0.300 1 512 52 52 ARG CB C 29.575 0.300 1 513 52 52 ARG CG C 27.038 0.300 1 514 52 52 ARG CD C 43.450 0.300 1 515 52 52 ARG N N 125.774 0.300 1 516 53 53 LEU H H 7.991 0.030 1 517 53 53 LEU HA H 3.909 0.030 1 518 53 53 LEU HB2 H 1.552 0.030 2 519 53 53 LEU HB3 H 1.746 0.030 2 520 53 53 LEU HG H 1.669 0.030 1 521 53 53 LEU HD1 H 0.812 0.030 1 522 53 53 LEU HD2 H 0.790 0.030 1 523 53 53 LEU C C 179.911 0.300 1 524 53 53 LEU CA C 58.209 0.300 1 525 53 53 LEU CB C 41.597 0.300 1 526 53 53 LEU CG C 26.996 0.300 1 527 53 53 LEU CD1 C 25.073 0.300 2 528 53 53 LEU CD2 C 23.389 0.300 2 529 53 53 LEU N N 120.061 0.300 1 530 54 54 ASP H H 8.008 0.030 1 531 54 54 ASP HA H 4.330 0.030 1 532 54 54 ASP HB2 H 2.654 0.030 2 533 54 54 ASP HB3 H 2.756 0.030 2 534 54 54 ASP CA C 57.269 0.300 1 535 54 54 ASP CB C 40.950 0.300 1 536 54 54 ASP N N 118.995 0.300 1 537 55 55 THR H H 8.538 0.030 1 538 55 55 THR HA H 4.249 0.030 1 539 55 55 THR HB H 3.904 0.030 1 540 55 55 THR HG2 H 1.420 0.030 1 541 55 55 THR C C 175.856 0.300 1 542 55 55 THR CA C 68.216 0.300 1 543 55 55 THR CB C 67.700 0.300 1 544 55 55 THR CG2 C 21.950 0.300 1 545 55 55 THR N N 117.659 0.300 1 546 56 56 GLU H H 8.887 0.030 1 547 56 56 GLU HA H 3.739 0.030 1 548 56 56 GLU HB2 H 2.064 0.030 2 549 56 56 GLU HB3 H 1.968 0.030 2 550 56 56 GLU HG2 H 2.335 0.030 2 551 56 56 GLU HG3 H 1.908 0.030 2 552 56 56 GLU C C 178.460 0.300 1 553 56 56 GLU CA C 60.825 0.300 1 554 56 56 GLU CB C 29.614 0.300 1 555 56 56 GLU CG C 36.896 0.300 1 556 56 56 GLU N N 122.157 0.300 1 557 57 57 GLU H H 7.749 0.030 1 558 57 57 GLU HA H 3.951 0.030 1 559 57 57 GLU HB2 H 2.074 0.030 1 560 57 57 GLU HB3 H 2.074 0.030 1 561 57 57 GLU HG2 H 2.336 0.030 2 562 57 57 GLU HG3 H 2.226 0.030 2 563 57 57 GLU C C 179.233 0.300 1 564 57 57 GLU CA C 59.575 0.300 1 565 57 57 GLU CB C 29.405 0.300 1 566 57 57 GLU CG C 36.148 0.300 1 567 57 57 GLU N N 117.243 0.300 1 568 58 58 HIS H H 7.785 0.030 1 569 58 58 HIS HA H 4.438 0.030 1 570 58 58 HIS HB2 H 3.308 0.030 2 571 58 58 HIS HB3 H 3.352 0.030 2 572 58 58 HIS HD2 H 6.945 0.030 1 573 58 58 HIS HE1 H 7.901 0.030 1 574 58 58 HIS C C 178.755 0.300 1 575 58 58 HIS CA C 59.325 0.300 1 576 58 58 HIS CB C 29.700 0.300 1 577 58 58 HIS CD2 C 123.411 0.300 1 578 58 58 HIS CE1 C 138.575 0.300 1 579 58 58 HIS N N 118.357 0.300 1 580 59 59 LEU H H 8.966 0.030 1 581 59 59 LEU HA H 4.147 0.030 1 582 59 59 LEU HB2 H 1.455 0.030 2 583 59 59 LEU HB3 H 2.195 0.030 2 584 59 59 LEU HG H 2.143 0.030 1 585 59 59 LEU HD1 H 1.203 0.030 1 586 59 59 LEU HD2 H 1.096 0.030 1 587 59 59 LEU C C 178.396 0.300 1 588 59 59 LEU CA C 58.450 0.300 1 589 59 59 LEU CB C 42.825 0.300 1 590 59 59 LEU CG C 27.908 0.300 1 591 59 59 LEU CD1 C 24.200 0.300 2 592 59 59 LEU CD2 C 27.075 0.300 2 593 59 59 LEU N N 120.114 0.300 1 594 60 60 LYS H H 8.136 0.030 1 595 60 60 LYS HA H 3.930 0.030 1 596 60 60 LYS HB2 H 1.836 0.030 1 597 60 60 LYS HB3 H 1.836 0.030 1 598 60 60 LYS HG2 H 1.630 0.030 2 599 60 60 LYS HG3 H 1.454 0.030 2 600 60 60 LYS HD2 H 1.637 0.030 2 601 60 60 LYS HD3 H 1.679 0.030 2 602 60 60 LYS HE2 H 2.874 0.030 1 603 60 60 LYS HE3 H 2.874 0.030 1 604 60 60 LYS C C 178.210 0.300 1 605 60 60 LYS CA C 59.009 0.300 1 606 60 60 LYS CB C 32.308 0.300 1 607 60 60 LYS CG C 25.575 0.300 1 608 60 60 LYS CD C 29.575 0.300 1 609 60 60 LYS CE C 42.075 0.300 1 610 60 60 LYS N N 118.078 0.300 1 611 61 61 GLU H H 7.182 0.030 1 612 61 61 GLU HA H 3.966 0.030 1 613 61 61 GLU HB2 H 2.061 0.030 1 614 61 61 GLU HB3 H 2.061 0.030 1 615 61 61 GLU HG2 H 2.133 0.030 2 616 61 61 GLU HG3 H 2.336 0.030 2 617 61 61 GLU C C 177.850 0.300 1 618 61 61 GLU CA C 58.315 0.300 1 619 61 61 GLU CB C 29.890 0.300 1 620 61 61 GLU CG C 36.237 0.300 1 621 61 61 GLU N N 116.417 0.300 1 622 62 62 LYS H H 7.475 0.030 1 623 62 62 LYS HA H 3.800 0.030 1 624 62 62 LYS HB2 H 1.158 0.030 2 625 62 62 LYS HB3 H 1.353 0.030 2 626 62 62 LYS HG2 H 0.348 0.030 2 627 62 62 LYS HG3 H 0.282 0.030 2 628 62 62 LYS HD2 H 1.193 0.030 2 629 62 62 LYS HD3 H 1.023 0.030 2 630 62 62 LYS HE2 H 2.410 0.030 1 631 62 62 LYS HE3 H 2.410 0.030 1 632 62 62 LYS C C 175.919 0.300 1 633 62 62 LYS CA C 56.700 0.300 1 634 62 62 LYS CB C 33.171 0.300 1 635 62 62 LYS CG C 24.075 0.300 1 636 62 62 LYS CD C 27.918 0.300 1 637 62 62 LYS CE C 41.825 0.300 1 638 62 62 LYS N N 118.231 0.300 1 639 63 63 PHE H H 8.312 0.030 1 640 63 63 PHE HA H 5.002 0.030 1 641 63 63 PHE HB2 H 2.927 0.030 2 642 63 63 PHE HB3 H 2.970 0.030 2 643 63 63 PHE HD1 H 7.267 0.030 1 644 63 63 PHE HD2 H 7.267 0.030 1 645 63 63 PHE HE1 H 6.980 0.030 1 646 63 63 PHE HE2 H 6.980 0.030 1 647 63 63 PHE HZ H 6.785 0.030 1 648 63 63 PHE C C 173.193 0.300 1 649 63 63 PHE CA C 54.729 0.300 1 650 63 63 PHE CB C 38.575 0.300 1 651 63 63 PHE CD1 C 132.825 0.300 1 652 63 63 PHE CD2 C 132.825 0.300 1 653 63 63 PHE CE1 C 130.536 0.300 1 654 63 63 PHE CE2 C 130.536 0.300 1 655 63 63 PHE CZ C 128.575 0.300 1 656 63 63 PHE N N 116.854 0.300 1 657 64 64 PRO HA H 4.567 0.030 1 658 64 64 PRO HB2 H 1.954 0.030 2 659 64 64 PRO HB3 H 2.341 0.030 2 660 64 64 PRO HG2 H 1.907 0.030 2 661 64 64 PRO HG3 H 1.958 0.030 2 662 64 64 PRO HD2 H 3.563 0.030 2 663 64 64 PRO HD3 H 3.250 0.030 2 664 64 64 PRO C C 178.167 0.300 1 665 64 64 PRO CA C 64.825 0.300 1 666 64 64 PRO CB C 32.200 0.300 1 667 64 64 PRO CG C 27.200 0.300 1 668 64 64 PRO CD C 50.186 0.300 1 669 65 65 GLU H H 9.023 0.030 1 670 65 65 GLU HA H 4.379 0.030 1 671 65 65 GLU HB2 H 1.956 0.030 2 672 65 65 GLU HB3 H 2.203 0.030 2 673 65 65 GLU HG2 H 2.268 0.030 2 674 65 65 GLU HG3 H 2.184 0.030 2 675 65 65 GLU C C 176.906 0.300 1 676 65 65 GLU CA C 56.325 0.300 1 677 65 65 GLU CB C 29.217 0.300 1 678 65 65 GLU CG C 36.571 0.300 1 679 65 65 GLU N N 116.632 0.300 1 680 66 66 VAL H H 7.379 0.030 1 681 66 66 VAL HA H 4.139 0.030 1 682 66 66 VAL HB H 2.157 0.030 1 683 66 66 VAL HG1 H 0.964 0.030 1 684 66 66 VAL HG2 H 0.970 0.030 1 685 66 66 VAL C C 175.191 0.300 1 686 66 66 VAL CA C 61.825 0.300 1 687 66 66 VAL CB C 32.584 0.300 1 688 66 66 VAL CG1 C 21.668 0.300 2 689 66 66 VAL CG2 C 21.992 0.300 2 690 66 66 VAL N N 120.214 0.300 1 691 67 67 ASP H H 8.780 0.030 1 692 67 67 ASP HA H 4.505 0.030 1 693 67 67 ASP HB2 H 2.641 0.030 2 694 67 67 ASP HB3 H 2.752 0.030 2 695 67 67 ASP C C 177.406 0.300 1 696 67 67 ASP CA C 54.450 0.300 1 697 67 67 ASP CB C 43.263 0.300 1 698 67 67 ASP N N 126.308 0.300 1 699 68 68 GLN H H 8.744 0.030 1 700 68 68 GLN HA H 3.849 0.030 1 701 68 68 GLN HB2 H 1.904 0.030 2 702 68 68 GLN HB3 H 2.068 0.030 2 703 68 68 GLN HG2 H 2.116 0.030 2 704 68 68 GLN HG3 H 2.226 0.030 2 705 68 68 GLN HE21 H 7.353 0.030 2 706 68 68 GLN HE22 H 6.735 0.030 2 707 68 68 GLN C C 177.692 0.300 1 708 68 68 GLN CA C 59.200 0.300 1 709 68 68 GLN CB C 28.204 0.300 1 710 68 68 GLN CG C 33.158 0.300 1 711 68 68 GLN N N 124.045 0.300 1 712 68 68 GLN NE2 N 111.585 0.300 1 713 69 69 PHE H H 8.707 0.030 1 714 69 69 PHE HA H 4.169 0.030 1 715 69 69 PHE HB2 H 2.791 0.030 2 716 69 69 PHE HB3 H 2.919 0.030 2 717 69 69 PHE HD1 H 7.142 0.030 1 718 69 69 PHE HD2 H 7.142 0.030 1 719 69 69 PHE C C 177.855 0.300 1 720 69 69 PHE CA C 61.325 0.300 1 721 69 69 PHE CB C 37.950 0.300 1 722 69 69 PHE CD1 C 131.575 0.300 1 723 69 69 PHE CD2 C 131.575 0.300 1 724 69 69 PHE N N 117.778 0.300 1 725 70 70 GLU H H 7.613 0.030 1 726 70 70 GLU HA H 3.859 0.030 1 727 70 70 GLU HB2 H 2.087 0.030 2 728 70 70 GLU HB3 H 2.137 0.030 2 729 70 70 GLU HG2 H 2.270 0.030 2 730 70 70 GLU HG3 H 2.073 0.030 2 731 70 70 GLU C C 179.156 0.300 1 732 70 70 GLU CA C 59.825 0.300 1 733 70 70 GLU CB C 29.575 0.300 1 734 70 70 GLU CG C 37.341 0.300 1 735 70 70 GLU N N 119.136 0.300 1 736 71 71 ILE H H 7.261 0.030 1 737 71 71 ILE HA H 3.462 0.030 1 738 71 71 ILE HB H 2.079 0.030 1 739 71 71 ILE HG12 H 1.021 0.030 2 740 71 71 ILE HG13 H 1.624 0.030 2 741 71 71 ILE HG2 H 0.950 0.030 1 742 71 71 ILE HD1 H 0.791 0.030 1 743 71 71 ILE C C 177.207 0.300 1 744 71 71 ILE CA C 65.420 0.300 1 745 71 71 ILE CB C 37.825 0.300 1 746 71 71 ILE CG1 C 29.408 0.300 1 747 71 71 ILE CG2 C 17.577 0.300 1 748 71 71 ILE CD1 C 13.044 0.300 1 749 71 71 ILE N N 121.064 0.300 1 750 72 72 ILE H H 7.940 0.030 1 751 72 72 ILE HA H 3.775 0.030 1 752 72 72 ILE HB H 1.741 0.030 1 753 72 72 ILE HG12 H 1.158 0.030 2 754 72 72 ILE HG13 H 1.575 0.030 2 755 72 72 ILE HG2 H 0.889 0.030 1 756 72 72 ILE HD1 H 0.729 0.030 1 757 72 72 ILE C C 178.882 0.300 1 758 72 72 ILE CA C 64.615 0.300 1 759 72 72 ILE CB C 38.700 0.300 1 760 72 72 ILE CG1 C 28.825 0.300 1 761 72 72 ILE CG2 C 17.200 0.300 1 762 72 72 ILE CD1 C 13.569 0.300 1 763 72 72 ILE N N 120.138 0.300 1 764 73 73 GLU H H 8.035 0.030 1 765 73 73 GLU HA H 4.290 0.030 1 766 73 73 GLU HB2 H 1.874 0.030 2 767 73 73 GLU HB3 H 1.779 0.030 2 768 73 73 GLU HG2 H 2.231 0.030 2 769 73 73 GLU HG3 H 2.114 0.030 2 770 73 73 GLU C C 178.983 0.300 1 771 73 73 GLU CA C 58.325 0.300 1 772 73 73 GLU CB C 29.112 0.300 1 773 73 73 GLU CG C 35.200 0.300 1 774 73 73 GLU N N 118.157 0.300 1 775 74 74 SER H H 7.903 0.030 1 776 74 74 SER HA H 3.762 0.030 1 777 74 74 SER HB2 H 4.030 0.030 2 778 74 74 SER HB3 H 3.931 0.030 2 779 74 74 SER C C 175.439 0.300 1 780 74 74 SER CA C 63.034 0.300 1 781 74 74 SER CB C 63.034 0.300 1 782 75 75 PHE H H 7.812 0.030 1 783 75 75 PHE HA H 3.784 0.030 1 784 75 75 PHE HB2 H 2.948 0.030 2 785 75 75 PHE HB3 H 3.336 0.030 2 786 75 75 PHE HD1 H 7.127 0.030 1 787 75 75 PHE HD2 H 7.127 0.030 1 788 75 75 PHE HE1 H 7.102 0.030 1 789 75 75 PHE HE2 H 7.102 0.030 1 790 75 75 PHE HZ H 7.055 0.030 1 791 75 75 PHE C C 176.295 0.300 1 792 75 75 PHE CA C 63.094 0.300 1 793 75 75 PHE CB C 38.751 0.300 1 794 75 75 PHE CD1 C 132.075 0.300 1 795 75 75 PHE CD2 C 132.075 0.300 1 796 75 75 PHE CE1 C 130.325 0.300 1 797 75 75 PHE CE2 C 130.325 0.300 1 798 75 75 PHE CZ C 128.700 0.300 1 799 75 75 PHE N N 119.528 0.300 1 800 76 76 ASN H H 8.236 0.030 1 801 76 76 ASN HA H 4.353 0.030 1 802 76 76 ASN HB2 H 3.052 0.030 2 803 76 76 ASN HB3 H 2.816 0.030 2 804 76 76 ASN HD21 H 6.900 0.030 2 805 76 76 ASN HD22 H 7.637 0.030 2 806 76 76 ASN C C 178.264 0.300 1 807 76 76 ASN CA C 56.325 0.300 1 808 76 76 ASN CB C 37.700 0.300 1 809 76 76 ASN N N 117.472 0.300 1 810 76 76 ASN ND2 N 111.769 0.300 1 811 77 77 ILE H H 8.373 0.030 1 812 77 77 ILE HA H 3.634 0.030 1 813 77 77 ILE HB H 1.989 0.030 1 814 77 77 ILE HG12 H 1.151 0.030 2 815 77 77 ILE HG13 H 1.825 0.030 2 816 77 77 ILE HG2 H 0.894 0.030 1 817 77 77 ILE HD1 H 0.879 0.030 1 818 77 77 ILE C C 178.619 0.300 1 819 77 77 ILE CA C 65.325 0.300 1 820 77 77 ILE CB C 38.450 0.300 1 821 77 77 ILE CG1 C 29.646 0.300 1 822 77 77 ILE CG2 C 16.950 0.300 1 823 77 77 ILE CD1 C 14.325 0.300 1 824 77 77 ILE N N 120.733 0.300 1 825 78 78 VAL H H 7.550 0.030 1 826 78 78 VAL HA H 3.437 0.030 1 827 78 78 VAL HB H 1.774 0.030 1 828 78 78 VAL HG1 H 0.980 0.030 1 829 78 78 VAL HG2 H 0.615 0.030 1 830 78 78 VAL C C 177.108 0.300 1 831 78 78 VAL CA C 67.119 0.300 1 832 78 78 VAL CB C 31.325 0.300 1 833 78 78 VAL CG1 C 25.051 0.300 2 834 78 78 VAL CG2 C 21.200 0.300 2 835 78 78 VAL N N 121.602 0.300 1 836 79 79 ALA H H 8.690 0.030 1 837 79 79 ALA HA H 3.662 0.030 1 838 79 79 ALA HB H 1.078 0.030 1 839 79 79 ALA C C 179.532 0.300 1 840 79 79 ALA CA C 55.986 0.300 1 841 79 79 ALA CB C 17.115 0.300 1 842 79 79 ALA N N 121.664 0.300 1 843 80 80 LYS H H 8.011 0.030 1 844 80 80 LYS HA H 3.919 0.030 1 845 80 80 LYS HB2 H 1.835 0.030 1 846 80 80 LYS HB3 H 1.835 0.030 1 847 80 80 LYS HG2 H 1.619 0.030 2 848 80 80 LYS HG3 H 1.378 0.030 2 849 80 80 LYS HD2 H 1.626 0.030 1 850 80 80 LYS HD3 H 1.626 0.030 1 851 80 80 LYS HE2 H 2.881 0.030 1 852 80 80 LYS HE3 H 2.881 0.030 1 853 80 80 LYS C C 178.906 0.300 1 854 80 80 LYS CA C 59.917 0.300 1 855 80 80 LYS CB C 32.400 0.300 1 856 80 80 LYS CG C 25.825 0.300 1 857 80 80 LYS CD C 29.512 0.300 1 858 80 80 LYS CE C 42.051 0.300 1 859 80 80 LYS N N 116.558 0.300 1 860 81 81 GLU H H 7.843 0.030 1 861 81 81 GLU HA H 3.968 0.030 1 862 81 81 GLU HB2 H 2.120 0.030 1 863 81 81 GLU HB3 H 2.120 0.030 1 864 81 81 GLU HG2 H 2.347 0.030 1 865 81 81 GLU HG3 H 2.347 0.030 1 866 81 81 GLU C C 179.661 0.300 1 867 81 81 GLU CA C 59.685 0.300 1 868 81 81 GLU CB C 29.401 0.300 1 869 81 81 GLU CG C 36.351 0.300 1 870 81 81 GLU N N 120.442 0.300 1 871 82 82 VAL H H 8.348 0.030 1 872 82 82 VAL HA H 3.507 0.030 1 873 82 82 VAL HB H 1.998 0.030 1 874 82 82 VAL HG1 H 0.945 0.030 1 875 82 82 VAL HG2 H 0.611 0.030 1 876 82 82 VAL C C 178.069 0.300 1 877 82 82 VAL CA C 66.543 0.300 1 878 82 82 VAL CB C 31.468 0.300 1 879 82 82 VAL CG1 C 23.825 0.300 2 880 82 82 VAL CG2 C 21.200 0.300 2 881 82 82 VAL N N 120.368 0.300 1 882 83 83 PHE H H 8.166 0.030 1 883 83 83 PHE HA H 3.742 0.030 1 884 83 83 PHE HB2 H 2.694 0.030 2 885 83 83 PHE HB3 H 2.894 0.030 2 886 83 83 PHE HD1 H 6.687 0.030 1 887 83 83 PHE HD2 H 6.687 0.030 1 888 83 83 PHE HE1 H 7.137 0.030 1 889 83 83 PHE HE2 H 7.137 0.030 1 890 83 83 PHE C C 177.355 0.300 1 891 83 83 PHE CA C 60.950 0.300 1 892 83 83 PHE CB C 38.575 0.300 1 893 83 83 PHE CD1 C 131.075 0.300 1 894 83 83 PHE CD2 C 131.075 0.300 1 895 83 83 PHE CE1 C 131.075 0.300 1 896 83 83 PHE CE2 C 131.075 0.300 1 897 83 83 PHE N N 119.684 0.300 1 898 84 84 ARG H H 8.175 0.030 1 899 84 84 ARG HA H 3.819 0.030 1 900 84 84 ARG HB2 H 1.865 0.030 1 901 84 84 ARG HB3 H 1.865 0.030 1 902 84 84 ARG HG2 H 1.705 0.030 2 903 84 84 ARG HG3 H 1.559 0.030 2 904 84 84 ARG HD2 H 3.136 0.030 1 905 84 84 ARG HD3 H 3.136 0.030 1 906 84 84 ARG C C 177.689 0.300 1 907 84 84 ARG CA C 59.075 0.300 1 908 84 84 ARG CB C 29.951 0.300 1 909 84 84 ARG CG C 27.575 0.300 1 910 84 84 ARG CD C 43.459 0.300 1 911 84 84 ARG N N 117.319 0.300 1 912 85 85 SER H H 7.890 0.030 1 913 85 85 SER HA H 4.172 0.030 1 914 85 85 SER HB2 H 4.032 0.030 2 915 85 85 SER HB3 H 4.072 0.030 2 916 85 85 SER C C 175.912 0.300 1 917 85 85 SER CA C 61.325 0.300 1 918 85 85 SER CB C 63.325 0.300 1 919 85 85 SER N N 113.886 0.300 1 920 86 86 ILE H H 7.634 0.030 1 921 86 86 ILE HA H 3.886 0.030 1 922 86 86 ILE HB H 1.748 0.030 1 923 86 86 ILE HG12 H 1.010 0.030 2 924 86 86 ILE HG13 H 1.519 0.030 2 925 86 86 ILE HG2 H 0.693 0.030 1 926 86 86 ILE HD1 H 0.622 0.030 1 927 86 86 ILE C C 178.311 0.300 1 928 86 86 ILE CA C 63.700 0.300 1 929 86 86 ILE CB C 37.977 0.300 1 930 86 86 ILE CG1 C 28.434 0.300 1 931 86 86 ILE CG2 C 17.146 0.300 1 932 86 86 ILE CD1 C 14.753 0.300 1 933 86 86 ILE N N 122.263 0.300 1 934 87 87 ILE H H 7.703 0.030 1 935 87 87 ILE HA H 3.789 0.030 1 936 87 87 ILE HB H 1.737 0.030 1 937 87 87 ILE HG12 H 1.007 0.030 2 938 87 87 ILE HG13 H 1.214 0.030 2 939 87 87 ILE HG2 H 0.713 0.030 1 940 87 87 ILE HD1 H 0.619 0.030 1 941 87 87 ILE C C 177.758 0.300 1 942 87 87 ILE CA C 63.125 0.300 1 943 87 87 ILE CB C 37.450 0.300 1 944 87 87 ILE CG1 C 27.575 0.300 1 945 87 87 ILE CG2 C 17.618 0.300 1 946 87 87 ILE CD1 C 12.344 0.300 1 947 87 87 ILE N N 120.720 0.300 1 948 88 88 LEU H H 7.916 0.030 1 949 88 88 LEU HA H 4.187 0.030 1 950 88 88 LEU HB2 H 1.657 0.030 1 951 88 88 LEU HB3 H 1.657 0.030 1 952 88 88 LEU HD2 H 0.791 0.030 1 953 88 88 LEU C C 177.635 0.300 1 954 88 88 LEU CA C 55.825 0.300 1 955 88 88 LEU CB C 41.700 0.300 1 956 88 88 LEU CG C 27.031 0.300 1 957 88 88 LEU CD2 C 22.892 0.300 2 958 88 88 LEU N N 120.290 0.300 1 959 89 89 ASN H H 7.951 0.030 1 960 89 89 ASN HA H 4.541 0.030 1 961 89 89 ASN HB2 H 2.765 0.030 2 962 89 89 ASN HB3 H 2.904 0.030 2 963 89 89 ASN HD21 H 6.868 0.030 2 964 89 89 ASN HD22 H 7.592 0.030 2 965 89 89 ASN C C 175.625 0.300 1 966 89 89 ASN CA C 54.450 0.300 1 967 89 89 ASN CB C 38.335 0.300 1 968 89 89 ASN N N 117.167 0.300 1 969 89 89 ASN ND2 N 112.641 0.300 1 970 90 90 GLU H H 8.244 0.030 1 971 90 90 GLU HA H 4.175 0.030 1 972 90 90 GLU HB2 H 1.862 0.030 2 973 90 90 GLU HB3 H 1.968 0.030 2 974 90 90 GLU HG2 H 2.111 0.030 2 975 90 90 GLU HG3 H 2.162 0.030 2 976 90 90 GLU C C 176.642 0.300 1 977 90 90 GLU CA C 57.133 0.300 1 978 90 90 GLU CB C 30.197 0.300 1 979 90 90 GLU CG C 36.351 0.300 1 980 90 90 GLU N N 119.071 0.300 1 981 91 91 TYR H H 7.938 0.030 1 982 91 91 TYR HA H 4.349 0.030 1 983 91 91 TYR HB2 H 2.957 0.030 2 984 91 91 TYR HB3 H 2.895 0.030 2 985 91 91 TYR HD1 H 6.935 0.030 1 986 91 91 TYR HD2 H 6.935 0.030 1 987 91 91 TYR HE1 H 6.653 0.030 1 988 91 91 TYR HE2 H 6.653 0.030 1 989 91 91 TYR C C 175.716 0.300 1 990 91 91 TYR CA C 58.575 0.300 1 991 91 91 TYR CB C 38.323 0.300 1 992 91 91 TYR CD1 C 132.950 0.300 1 993 91 91 TYR CD2 C 132.950 0.300 1 994 91 91 TYR CE1 C 118.224 0.300 1 995 91 91 TYR CE2 C 118.224 0.300 1 996 91 91 TYR N N 120.290 0.300 1 997 92 92 LYS H H 7.864 0.030 1 998 92 92 LYS HA H 4.147 0.030 1 999 92 92 LYS HB2 H 1.718 0.030 1 1000 92 92 LYS HB3 H 1.718 0.030 1 1001 92 92 LYS HG2 H 1.280 0.030 1 1002 92 92 LYS HG3 H 1.280 0.030 1 1003 92 92 LYS HD2 H 1.587 0.030 1 1004 92 92 LYS HD3 H 1.587 0.030 1 1005 92 92 LYS HE2 H 2.908 0.030 1 1006 92 92 LYS HE3 H 2.908 0.030 1 1007 92 92 LYS C C 175.954 0.300 1 1008 92 92 LYS CA C 56.200 0.300 1 1009 92 92 LYS CB C 33.165 0.300 1 1010 92 92 LYS CG C 24.685 0.300 1 1011 92 92 LYS CD C 29.085 0.300 1 1012 92 92 LYS CE C 42.222 0.300 1 1013 92 92 LYS N N 122.880 0.300 1 1014 93 93 ARG H H 8.114 0.030 1 1015 93 93 ARG HA H 4.156 0.030 1 1016 93 93 ARG HB2 H 1.724 0.030 1 1017 93 93 ARG HB3 H 1.724 0.030 1 1018 93 93 ARG C C 176.564 0.300 1 1019 93 93 ARG CA C 56.512 0.300 1 1020 93 93 ARG CB C 30.879 0.300 1 1021 93 93 ARG N N 121.777 0.300 1 1022 94 94 CYS HA H 4.457 0.030 1 1023 94 94 CYS HB2 H 2.881 0.030 1 1024 94 94 CYS HB3 H 2.881 0.030 1 1025 94 94 CYS C C 174.397 0.300 1 1026 94 94 CYS CA C 58.565 0.300 1 1027 94 94 CYS CB C 27.971 0.300 1 1028 95 95 ASP H H 8.314 0.030 1 1029 95 95 ASP HA H 4.543 0.030 1 1030 95 95 ASP HB2 H 2.666 0.030 1 1031 95 95 ASP HB3 H 2.666 0.030 1 1032 95 95 ASP C C 176.723 0.300 1 1033 95 95 ASP CA C 54.354 0.300 1 1034 95 95 ASP CB C 41.307 0.300 1 1035 95 95 ASP N N 122.510 0.300 1 1036 96 96 GLY H H 8.367 0.030 1 1037 96 96 GLY HA2 H 3.894 0.030 1 1038 96 96 GLY HA3 H 3.894 0.030 1 1039 96 96 GLY C C 174.531 0.300 1 1040 96 96 GLY CA C 45.568 0.300 1 1041 96 96 GLY N N 109.304 0.300 1 1042 97 97 ARG H H 8.112 0.030 1 1043 97 97 ARG HA H 4.277 0.030 1 1044 97 97 ARG HB2 H 1.821 0.030 2 1045 97 97 ARG HB3 H 1.727 0.030 2 1046 97 97 ARG HG2 H 1.556 0.030 1 1047 97 97 ARG HG3 H 1.556 0.030 1 1048 97 97 ARG HD2 H 3.137 0.030 1 1049 97 97 ARG HD3 H 3.137 0.030 1 1050 97 97 ARG C C 176.203 0.300 1 1051 97 97 ARG CA C 56.353 0.300 1 1052 97 97 ARG CB C 30.839 0.300 1 1053 97 97 ARG CG C 27.031 0.300 1 1054 97 97 ARG CD C 43.258 0.300 1 1055 97 97 ARG N N 120.379 0.300 1 1056 98 98 ASP H H 8.446 0.030 1 1057 98 98 ASP HA H 4.546 0.030 1 1058 98 98 ASP HB2 H 2.662 0.030 1 1059 98 98 ASP HB3 H 2.662 0.030 1 1060 98 98 ASP C C 176.197 0.300 1 1061 98 98 ASP CA C 54.439 0.300 1 1062 98 98 ASP CB C 41.338 0.300 1 1063 98 98 ASP N N 121.065 0.300 1 1064 99 99 SER H H 8.194 0.030 1 1065 99 99 SER HA H 4.816 0.030 1 1066 99 99 SER C C 174.659 0.300 1 1067 99 99 SER CA C 58.392 0.300 1 1068 99 99 SER CB C 64.161 0.300 1 1069 99 99 SER N N 116.053 0.300 1 1070 101 101 PRO HA H 4.432 0.030 1 1071 101 101 PRO HB2 H 1.942 0.030 2 1072 101 101 PRO HB3 H 2.239 0.030 2 1073 101 101 PRO HG2 H 1.961 0.030 1 1074 101 101 PRO HG3 H 1.961 0.030 1 1075 101 101 PRO HD2 H 3.567 0.030 1 1076 101 101 PRO HD3 H 3.567 0.030 1 1077 101 101 PRO C C 177.366 0.300 1 1078 101 101 PRO CA C 63.246 0.300 1 1079 101 101 PRO CB C 32.213 0.300 1 1080 101 101 PRO CG C 27.111 0.300 1 1081 101 101 PRO CD C 49.756 0.300 1 1082 102 102 SER H H 8.543 0.030 1 1083 102 102 SER C C 177.456 0.300 1 1084 102 102 SER N N 116.513 0.300 1 1085 103 103 SER CA C 58.368 0.300 1 1086 103 103 SER CB C 64.077 0.300 1 1087 104 104 GLY H H 8.058 0.030 1 1088 104 104 GLY CA C 46.147 0.300 1 1089 104 104 GLY N N 116.852 0.300 1 stop_ save_