data_10006 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF FIBRONECTIN TYPE III DOMAIN OF MOUSE HYPOTHETICAL PROTEIN ; _BMRB_accession_number 10006 _BMRB_flat_file_name bmr10006.str _Entry_type original _Submission_date 2005-10-14 _Accession_date 2005-10-14 _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 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" 668 "13C chemical shifts" 508 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-23 original author . stop_ _Original_release_date 2006-10-23 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of fibronectin type III domain of mouse hypothetical 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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 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 . loop_ _Keyword 'FN3 domain' 'similar to 1700007B22Rik protein' 'structural genomics' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FN3 domain of HYPOTHETICAL PROTEIN' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FN3 domain' $FN3_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FN3_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'FN3 domain' _Molecular_mass 13500.288 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; GSSGSSGMEPHKVVPLSKPH PPVVGKVTHHSIELYWDLEQ KEKRQGPQEQWLRFSIEEED PKMHSYGVIYTGYATRHVVE GLEPRTLYKFRLKVTSPSGE YEYSPVVSVATTRESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 GLU 10 PRO 11 HIS 12 LYS 13 VAL 14 VAL 15 PRO 16 LEU 17 SER 18 LYS 19 PRO 20 HIS 21 PRO 22 PRO 23 VAL 24 VAL 25 GLY 26 LYS 27 VAL 28 THR 29 HIS 30 HIS 31 SER 32 ILE 33 GLU 34 LEU 35 TYR 36 TRP 37 ASP 38 LEU 39 GLU 40 GLN 41 LYS 42 GLU 43 LYS 44 ARG 45 GLN 46 GLY 47 PRO 48 GLN 49 GLU 50 GLN 51 TRP 52 LEU 53 ARG 54 PHE 55 SER 56 ILE 57 GLU 58 GLU 59 GLU 60 ASP 61 PRO 62 LYS 63 MET 64 HIS 65 SER 66 TYR 67 GLY 68 VAL 69 ILE 70 TYR 71 THR 72 GLY 73 TYR 74 ALA 75 THR 76 ARG 77 HIS 78 VAL 79 VAL 80 GLU 81 GLY 82 LEU 83 GLU 84 PRO 85 ARG 86 THR 87 LEU 88 TYR 89 LYS 90 PHE 91 ARG 92 LEU 93 LYS 94 VAL 95 THR 96 SER 97 PRO 98 SER 99 GLY 100 GLU 101 TYR 102 GLU 103 TYR 104 SER 105 PRO 106 VAL 107 VAL 108 SER 109 VAL 110 ALA 111 THR 112 THR 113 ARG 114 GLU 115 SER 116 GLY 117 PRO 118 SER 119 SER 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WFU "Solution Structure Of Fibronectin Type Iii Domain Of Mouse Hypothetical Protein" 100.00 120 100.00 100.00 6.40e-79 DBJ BAB24192 "unnamed protein product [Mus musculus]" 89.17 344 100.00 100.00 5.65e-70 DBJ BAB30580 "unnamed protein product [Mus musculus]" 89.17 330 100.00 100.00 5.23e-70 GB AAH46278 "Fibronectin type 3 and ankyrin repeat domains 1 [Mus musculus]" 89.17 344 100.00 100.00 5.65e-70 GB AAV68048 "germ cell-specific 1 [Mus musculus]" 89.17 344 100.00 100.00 5.65e-70 GB EDL17784 "fibronectin type 3 and ankyrin repeat domains 1 [Mus musculus]" 89.17 344 100.00 100.00 5.65e-70 REF NP_080126 "fibronectin type 3 and ankyrin repeat domains 1 protein [Mus musculus]" 89.17 344 100.00 100.00 5.65e-70 REF XP_006508183 "PREDICTED: fibronectin type 3 and ankyrin repeat domains 1 protein isoform X1 [Mus musculus]" 89.17 319 100.00 100.00 5.24e-70 SP Q9DAM9 "RecName: Full=Fibronectin type 3 and ankyrin repeat domains 1 protein; AltName: Full=Germ cell-specific gene 1 protein; Short=G" 89.17 344 100.00 100.00 5.65e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $FN3_domain mouse 10090 Eukaryota Metazoa Mus musculus no 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 $FN3_domain 'cell free synthesis' . . . . plasmid P031222-40 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 $FN3_domain 1.1 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B.A.' save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.8994 loop_ _Task 'data analysis' stop_ _Details 'Kobayashi, N.' save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Task refinement 'structure solution' stop_ _Details 'Guntert, P.' 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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 0.001 M pH 7.5 0.05 pH pressure 1 0.03 atm temperature 296 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 (4.784 ppm at 296 K) 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 internal direct . . . 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_assigned_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 'FN3 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 7 7 GLY HA2 H 3.961 0.030 1 2 7 7 GLY HA3 H 3.961 0.030 1 3 7 7 GLY C C 174.014 0.300 1 4 7 7 GLY CA C 45.424 0.300 1 5 8 8 MET H H 8.148 0.030 1 6 8 8 MET HA H 4.481 0.030 1 7 8 8 MET HB2 H 2.048 0.030 2 8 8 8 MET HB3 H 1.938 0.030 2 9 8 8 MET HG2 H 2.550 0.030 2 10 8 8 MET HG3 H 2.481 0.030 2 11 8 8 MET HE H 2.064 0.030 1 12 8 8 MET C C 176.068 0.300 1 13 8 8 MET CA C 55.206 0.300 1 14 8 8 MET CB C 33.068 0.300 1 15 8 8 MET CG C 31.931 0.300 1 16 8 8 MET CE C 16.974 0.300 1 17 8 8 MET N N 119.495 0.300 1 18 9 9 GLU H H 8.470 0.030 1 19 9 9 GLU HA H 4.534 0.030 1 20 9 9 GLU HB2 H 1.971 0.030 2 21 9 9 GLU HB3 H 1.850 0.030 2 22 9 9 GLU HG2 H 2.271 0.030 1 23 9 9 GLU HG3 H 2.271 0.030 1 24 9 9 GLU C C 174.694 0.300 1 25 9 9 GLU CA C 54.649 0.300 1 26 9 9 GLU CB C 29.662 0.300 1 27 9 9 GLU CG C 36.051 0.300 1 28 9 9 GLU N N 123.607 0.300 1 29 10 10 PRO HA H 4.341 0.030 1 30 10 10 PRO HB2 H 2.222 0.030 2 31 10 10 PRO HB3 H 1.810 0.030 2 32 10 10 PRO HG2 H 1.974 0.030 1 33 10 10 PRO HG3 H 1.974 0.030 1 34 10 10 PRO HD2 H 3.768 0.030 2 35 10 10 PRO HD3 H 3.678 0.030 2 36 10 10 PRO C C 176.731 0.300 1 37 10 10 PRO CA C 63.363 0.300 1 38 10 10 PRO CB C 32.021 0.300 1 39 10 10 PRO CG C 27.274 0.300 1 40 10 10 PRO CD C 50.668 0.300 1 41 11 11 HIS H H 8.256 0.030 1 42 11 11 HIS HA H 4.543 0.030 1 43 11 11 HIS HB2 H 3.045 0.030 1 44 11 11 HIS HB3 H 3.045 0.030 1 45 11 11 HIS HD2 H 6.949 0.030 1 46 11 11 HIS C C 175.341 0.300 1 47 11 11 HIS CA C 56.364 0.300 1 48 11 11 HIS CB C 30.808 0.300 1 49 11 11 HIS CD2 C 119.865 0.300 1 50 11 11 HIS N N 119.227 0.300 1 51 12 12 LYS H H 8.081 0.030 1 52 12 12 LYS HA H 4.280 0.030 1 53 12 12 LYS HB2 H 1.735 0.030 2 54 12 12 LYS HB3 H 1.652 0.030 2 55 12 12 LYS HG2 H 1.264 0.030 1 56 12 12 LYS HG3 H 1.264 0.030 1 57 12 12 LYS HE2 H 2.938 0.030 1 58 12 12 LYS HE3 H 2.938 0.030 1 59 12 12 LYS C C 175.886 0.300 1 60 12 12 LYS CA C 56.105 0.300 1 61 12 12 LYS CB C 33.219 0.300 1 62 12 12 LYS CG C 24.676 0.300 1 63 12 12 LYS CD C 28.942 0.300 1 64 12 12 LYS CE C 42.312 0.300 1 65 12 12 LYS N N 123.289 0.300 1 66 13 13 VAL H H 8.146 0.030 1 67 13 13 VAL HA H 4.039 0.030 1 68 13 13 VAL HB H 1.966 0.030 1 69 13 13 VAL HG1 H 0.850 0.030 1 70 13 13 VAL HG2 H 0.907 0.030 1 71 13 13 VAL C C 175.886 0.300 1 72 13 13 VAL CA C 62.281 0.300 1 73 13 13 VAL CB C 32.718 0.300 1 74 13 13 VAL CG1 C 21.135 0.300 2 75 13 13 VAL CG2 C 20.902 0.300 2 76 13 13 VAL N N 122.920 0.300 1 77 14 14 VAL H H 8.358 0.030 1 78 14 14 VAL HA H 4.404 0.030 1 79 14 14 VAL HB H 2.051 0.030 1 80 14 14 VAL HG1 H 0.924 0.030 1 81 14 14 VAL HG2 H 0.956 0.030 1 82 14 14 VAL C C 174.048 0.300 1 83 14 14 VAL CA C 59.670 0.300 1 84 14 14 VAL CB C 32.729 0.300 1 85 14 14 VAL CG1 C 20.487 0.300 2 86 14 14 VAL CG2 C 21.046 0.300 2 87 14 14 VAL N N 127.242 0.300 1 88 15 15 PRO HA H 4.391 0.030 1 89 15 15 PRO HB2 H 2.246 0.030 2 90 15 15 PRO HB3 H 1.826 0.030 2 91 15 15 PRO HG2 H 1.916 0.030 1 92 15 15 PRO HG3 H 1.916 0.030 1 93 15 15 PRO HD2 H 3.834 0.030 2 94 15 15 PRO HD3 H 3.661 0.030 2 95 15 15 PRO C C 176.570 0.300 1 96 15 15 PRO CA C 62.757 0.300 1 97 15 15 PRO CB C 32.294 0.300 1 98 15 15 PRO CG C 27.248 0.300 1 99 15 15 PRO CD C 51.048 0.300 1 100 16 16 LEU H H 8.368 0.030 1 101 16 16 LEU HA H 4.271 0.030 1 102 16 16 LEU HB2 H 1.461 0.030 1 103 16 16 LEU HB3 H 1.461 0.030 1 104 16 16 LEU HG H 1.575 0.030 1 105 16 16 LEU HD1 H 0.788 0.030 1 106 16 16 LEU HD2 H 0.769 0.030 1 107 16 16 LEU C C 177.085 0.300 1 108 16 16 LEU CA C 54.945 0.300 1 109 16 16 LEU CB C 43.135 0.300 1 110 16 16 LEU CG C 26.743 0.300 1 111 16 16 LEU CD1 C 25.219 0.300 2 112 16 16 LEU CD2 C 24.906 0.300 2 113 16 16 LEU N N 122.836 0.300 1 114 17 17 SER H H 8.245 0.030 1 115 17 17 SER HA H 4.422 0.030 1 116 17 17 SER HB2 H 3.773 0.030 2 117 17 17 SER HB3 H 3.738 0.030 2 118 17 17 SER C C 173.668 0.300 1 119 17 17 SER CA C 57.579 0.300 1 120 17 17 SER CB C 64.135 0.300 1 121 17 17 SER N N 118.935 0.300 1 122 18 18 LYS H H 8.410 0.030 1 123 18 18 LYS HA H 4.161 0.030 1 124 18 18 LYS HB2 H 1.764 0.030 2 125 18 18 LYS HB3 H 1.679 0.030 2 126 18 18 LYS HG2 H 1.540 0.030 2 127 18 18 LYS HG3 H 1.460 0.030 2 128 18 18 LYS HD2 H 1.714 0.030 1 129 18 18 LYS HD3 H 1.714 0.030 1 130 18 18 LYS HE2 H 3.035 0.030 1 131 18 18 LYS HE3 H 3.035 0.030 1 132 18 18 LYS C C 174.957 0.300 1 133 18 18 LYS CA C 54.592 0.300 1 134 18 18 LYS CB C 31.911 0.300 1 135 18 18 LYS CG C 24.920 0.300 1 136 18 18 LYS CD C 29.274 0.300 1 137 18 18 LYS CE C 42.246 0.300 1 138 18 18 LYS N N 123.867 0.300 1 139 19 19 PRO HA H 4.549 0.030 1 140 19 19 PRO HB2 H 2.104 0.030 2 141 19 19 PRO HB3 H 1.858 0.030 2 142 19 19 PRO HG2 H 1.770 0.030 2 143 19 19 PRO HG3 H 1.698 0.030 2 144 19 19 PRO HD2 H 3.735 0.030 2 145 19 19 PRO HD3 H 3.388 0.030 2 146 19 19 PRO C C 176.839 0.300 1 147 19 19 PRO CA C 62.303 0.300 1 148 19 19 PRO CB C 31.992 0.300 1 149 19 19 PRO CG C 27.298 0.300 1 150 19 19 PRO CD C 51.027 0.300 1 151 20 20 HIS H H 8.502 0.030 1 152 20 20 HIS HA H 4.676 0.030 1 153 20 20 HIS HB2 H 3.228 0.030 2 154 20 20 HIS HB3 H 3.031 0.030 2 155 20 20 HIS HD2 H 7.146 0.030 1 156 20 20 HIS HE1 H 7.764 0.030 1 157 20 20 HIS C C 173.440 0.300 1 158 20 20 HIS CA C 54.967 0.300 1 159 20 20 HIS CB C 28.930 0.300 1 160 20 20 HIS CD2 C 120.448 0.300 1 161 20 20 HIS CE1 C 138.607 0.300 1 162 20 20 HIS N N 121.635 0.300 1 163 21 21 PRO HA H 4.680 0.030 1 164 21 21 PRO HB2 H 2.200 0.030 2 165 21 21 PRO HB3 H 1.902 0.030 2 166 21 21 PRO HG2 H 2.131 0.030 2 167 21 21 PRO HG3 H 2.006 0.030 2 168 21 21 PRO HD2 H 3.744 0.030 2 169 21 21 PRO HD3 H 3.682 0.030 2 170 21 21 PRO CA C 61.194 0.300 1 171 21 21 PRO CB C 29.938 0.300 1 172 21 21 PRO CG C 27.352 0.300 1 173 21 21 PRO CD C 49.948 0.300 1 174 22 22 PRO HA H 4.632 0.030 1 175 22 22 PRO HB2 H 2.128 0.030 2 176 22 22 PRO HB3 H 1.870 0.030 2 177 22 22 PRO HG2 H 1.756 0.030 2 178 22 22 PRO HG3 H 1.529 0.030 2 179 22 22 PRO HD2 H 3.790 0.030 2 180 22 22 PRO HD3 H 3.539 0.030 2 181 22 22 PRO C C 173.531 0.300 1 182 22 22 PRO CA C 62.546 0.300 1 183 22 22 PRO CB C 32.634 0.300 1 184 22 22 PRO CG C 27.280 0.300 1 185 22 22 PRO CD C 49.429 0.300 1 186 23 23 VAL H H 9.198 0.030 1 187 23 23 VAL HA H 3.817 0.030 1 188 23 23 VAL HB H 1.045 0.030 1 189 23 23 VAL HG1 H 0.758 0.030 1 190 23 23 VAL HG2 H 0.807 0.030 1 191 23 23 VAL C C 174.696 0.300 1 192 23 23 VAL CA C 61.595 0.300 1 193 23 23 VAL CB C 32.782 0.300 1 194 23 23 VAL CG1 C 22.400 0.300 1 195 23 23 VAL CG2 C 21.876 0.300 1 196 23 23 VAL N N 122.521 0.300 1 197 24 24 VAL H H 7.967 0.030 1 198 24 24 VAL HA H 4.212 0.030 1 199 24 24 VAL HB H 1.971 0.030 1 200 24 24 VAL HG1 H 0.993 0.030 1 201 24 24 VAL HG2 H 0.870 0.030 1 202 24 24 VAL C C 177.297 0.300 1 203 24 24 VAL CA C 62.568 0.300 1 204 24 24 VAL CB C 32.442 0.300 1 205 24 24 VAL CG1 C 22.343 0.300 1 206 24 24 VAL CG2 C 22.009 0.300 1 207 24 24 VAL N N 124.677 0.300 1 208 25 25 GLY H H 8.979 0.030 1 209 25 25 GLY HA2 H 4.542 0.030 2 210 25 25 GLY HA3 H 3.529 0.030 2 211 25 25 GLY C C 172.438 0.300 1 212 25 25 GLY CA C 44.040 0.300 1 213 25 25 GLY N N 117.680 0.300 1 214 26 26 LYS H H 9.146 0.030 1 215 26 26 LYS HA H 4.130 0.030 1 216 26 26 LYS HB2 H 1.650 0.030 2 217 26 26 LYS HB3 H 1.571 0.030 2 218 26 26 LYS HG2 H 1.366 0.030 2 219 26 26 LYS HG3 H 1.233 0.030 2 220 26 26 LYS HD2 H 1.609 0.030 1 221 26 26 LYS HD3 H 1.609 0.030 1 222 26 26 LYS HE2 H 2.866 0.030 1 223 26 26 LYS HE3 H 2.866 0.030 1 224 26 26 LYS C C 176.743 0.300 1 225 26 26 LYS CA C 57.712 0.300 1 226 26 26 LYS CB C 32.783 0.300 1 227 26 26 LYS CG C 24.950 0.300 1 228 26 26 LYS CD C 28.942 0.300 1 229 26 26 LYS CE C 42.045 0.300 1 230 26 26 LYS N N 128.231 0.300 1 231 27 27 VAL H H 8.552 0.030 1 232 27 27 VAL HA H 4.602 0.030 1 233 27 27 VAL HB H 1.944 0.030 1 234 27 27 VAL HG1 H 1.298 0.030 1 235 27 27 VAL HG2 H 1.003 0.030 1 236 27 27 VAL C C 175.906 0.300 1 237 27 27 VAL CA C 62.026 0.300 1 238 27 27 VAL CB C 34.973 0.300 1 239 27 27 VAL CG1 C 22.814 0.300 2 240 27 27 VAL CG2 C 22.476 0.300 2 241 27 27 VAL N N 128.815 0.300 1 242 28 28 THR H H 8.704 0.030 1 243 28 28 THR HA H 4.832 0.030 1 244 28 28 THR HB H 4.331 0.030 1 245 28 28 THR HG2 H 1.011 0.030 1 246 28 28 THR C C 174.213 0.300 1 247 28 28 THR CA C 60.443 0.300 1 248 28 28 THR CB C 70.917 0.300 1 249 28 28 THR CG2 C 20.096 0.300 1 250 28 28 THR N N 119.101 0.300 1 251 29 29 HIS H H 7.861 0.030 1 252 29 29 HIS HA H 4.817 0.030 1 253 29 29 HIS HB2 H 3.109 0.030 2 254 29 29 HIS HB3 H 2.664 0.030 2 255 29 29 HIS HD2 H 7.019 0.030 1 256 29 29 HIS HE1 H 7.807 0.030 1 257 29 29 HIS C C 174.132 0.300 1 258 29 29 HIS CA C 57.124 0.300 1 259 29 29 HIS CB C 30.422 0.300 1 260 29 29 HIS CD2 C 118.853 0.300 1 261 29 29 HIS CE1 C 139.368 0.300 1 262 29 29 HIS N N 114.362 0.300 1 263 30 30 HIS H H 7.506 0.030 1 264 30 30 HIS HA H 4.712 0.030 1 265 30 30 HIS HB2 H 3.248 0.030 2 266 30 30 HIS HB3 H 2.595 0.030 2 267 30 30 HIS HD2 H 5.537 0.030 1 268 30 30 HIS HE1 H 7.796 0.030 1 269 30 30 HIS C C 173.436 0.300 1 270 30 30 HIS CA C 53.785 0.300 1 271 30 30 HIS CB C 32.823 0.300 1 272 30 30 HIS CD2 C 119.652 0.300 1 273 30 30 HIS CE1 C 137.933 0.300 1 274 30 30 HIS N N 111.556 0.300 1 275 31 31 SER H H 7.194 0.030 1 276 31 31 SER HA H 5.389 0.030 1 277 31 31 SER HB2 H 3.536 0.030 2 278 31 31 SER HB3 H 3.440 0.030 2 279 31 31 SER C C 171.612 0.300 1 280 31 31 SER CA C 56.428 0.300 1 281 31 31 SER CB C 66.949 0.300 1 282 31 31 SER N N 116.133 0.300 1 283 32 32 ILE H H 8.291 0.030 1 284 32 32 ILE HA H 4.219 0.030 1 285 32 32 ILE HB H 1.179 0.030 1 286 32 32 ILE HG12 H 1.404 0.030 2 287 32 32 ILE HG13 H 1.002 0.030 2 288 32 32 ILE HG2 H 0.706 0.030 1 289 32 32 ILE HD1 H 0.900 0.030 1 290 32 32 ILE C C 173.164 0.300 1 291 32 32 ILE CA C 61.192 0.300 1 292 32 32 ILE CB C 44.840 0.300 1 293 32 32 ILE CG1 C 28.453 0.300 1 294 32 32 ILE CG2 C 17.841 0.300 1 295 32 32 ILE CD1 C 15.700 0.300 1 296 32 32 ILE N N 119.550 0.300 1 297 33 33 GLU H H 8.150 0.030 1 298 33 33 GLU HA H 4.511 0.030 1 299 33 33 GLU HB2 H 2.483 0.030 2 300 33 33 GLU HB3 H 1.826 0.030 2 301 33 33 GLU HG2 H 1.978 0.030 2 302 33 33 GLU HG3 H 1.846 0.030 2 303 33 33 GLU C C 173.799 0.300 1 304 33 33 GLU CA C 55.250 0.300 1 305 33 33 GLU CB C 31.764 0.300 1 306 33 33 GLU CG C 36.293 0.300 1 307 33 33 GLU N N 129.024 0.300 1 308 34 34 LEU H H 8.614 0.030 1 309 34 34 LEU HA H 5.468 0.030 1 310 34 34 LEU HB2 H 1.915 0.030 2 311 34 34 LEU HB3 H 1.238 0.030 2 312 34 34 LEU HG H 1.325 0.030 1 313 34 34 LEU HD1 H 0.092 0.030 1 314 34 34 LEU HD2 H 0.578 0.030 1 315 34 34 LEU C C 175.402 0.300 1 316 34 34 LEU CA C 52.756 0.300 1 317 34 34 LEU CB C 46.650 0.300 1 318 34 34 LEU CG C 26.374 0.300 1 319 34 34 LEU CD1 C 25.718 0.300 1 320 34 34 LEU CD2 C 23.230 0.300 1 321 34 34 LEU N N 126.899 0.300 1 322 35 35 TYR H H 9.055 0.030 1 323 35 35 TYR HA H 4.918 0.030 1 324 35 35 TYR HB2 H 2.917 0.030 2 325 35 35 TYR HB3 H 2.777 0.030 2 326 35 35 TYR HD1 H 6.735 0.030 1 327 35 35 TYR HD2 H 6.735 0.030 1 328 35 35 TYR HE1 H 6.500 0.030 1 329 35 35 TYR HE2 H 6.500 0.030 1 330 35 35 TYR C C 174.696 0.300 1 331 35 35 TYR CA C 57.003 0.300 1 332 35 35 TYR CB C 40.781 0.300 1 333 35 35 TYR CD1 C 133.494 0.300 1 334 35 35 TYR CD2 C 133.494 0.300 1 335 35 35 TYR CE1 C 117.808 0.300 1 336 35 35 TYR CE2 C 117.808 0.300 1 337 35 35 TYR N N 116.133 0.300 1 338 36 36 TRP H H 8.211 0.030 1 339 36 36 TRP HA H 5.119 0.030 1 340 36 36 TRP HB2 H 3.266 0.030 2 341 36 36 TRP HB3 H 2.970 0.030 2 342 36 36 TRP HD1 H 6.034 0.030 1 343 36 36 TRP HE1 H 7.107 0.030 1 344 36 36 TRP HE3 H 6.707 0.030 1 345 36 36 TRP HZ2 H 7.088 0.030 1 346 36 36 TRP HZ3 H 6.441 0.030 1 347 36 36 TRP HH2 H 6.185 0.030 1 348 36 36 TRP C C 174.344 0.300 1 349 36 36 TRP CA C 56.618 0.300 1 350 36 36 TRP CB C 28.526 0.300 1 351 36 36 TRP CD1 C 125.877 0.300 1 352 36 36 TRP CE3 C 119.032 0.300 1 353 36 36 TRP CZ2 C 115.051 0.300 1 354 36 36 TRP CZ3 C 121.717 0.300 1 355 36 36 TRP CH2 C 123.270 0.300 1 356 36 36 TRP N N 117.235 0.300 1 357 36 36 TRP NE1 N 127.559 0.300 1 358 37 37 ASP H H 7.945 0.030 1 359 37 37 ASP HA H 4.431 0.030 1 360 37 37 ASP HB2 H 2.771 0.030 2 361 37 37 ASP HB3 H 2.389 0.030 2 362 37 37 ASP C C 176.934 0.300 1 363 37 37 ASP CA C 55.191 0.300 1 364 37 37 ASP CB C 42.050 0.300 1 365 37 37 ASP N N 117.658 0.300 1 366 38 38 LEU H H 8.444 0.030 1 367 38 38 LEU HA H 4.170 0.030 1 368 38 38 LEU HB2 H 1.640 0.030 2 369 38 38 LEU HB3 H 1.580 0.030 2 370 38 38 LEU HG H 1.655 0.030 1 371 38 38 LEU HD1 H 0.862 0.030 1 372 38 38 LEU HD2 H 0.829 0.030 1 373 38 38 LEU C C 178.194 0.300 1 374 38 38 LEU CA C 56.479 0.300 1 375 38 38 LEU CB C 42.042 0.300 1 376 38 38 LEU CG C 27.634 0.300 1 377 38 38 LEU CD1 C 24.915 0.300 2 378 38 38 LEU CD2 C 23.856 0.300 2 379 38 38 LEU N N 120.152 0.300 1 380 39 39 GLU H H 8.531 0.030 1 381 39 39 GLU HA H 4.194 0.030 1 382 39 39 GLU HB2 H 2.158 0.030 2 383 39 39 GLU HB3 H 1.978 0.030 2 384 39 39 GLU HG2 H 2.270 0.030 1 385 39 39 GLU HG3 H 2.270 0.030 1 386 39 39 GLU C C 176.430 0.300 1 387 39 39 GLU CA C 56.785 0.300 1 388 39 39 GLU CB C 29.621 0.300 1 389 39 39 GLU CG C 36.403 0.300 1 390 39 39 GLU N N 118.367 0.300 1 391 40 40 GLN H H 8.076 0.030 1 392 40 40 GLN HA H 4.284 0.030 1 393 40 40 GLN HB2 H 2.155 0.030 2 394 40 40 GLN HB3 H 1.981 0.030 2 395 40 40 GLN HG2 H 2.333 0.030 1 396 40 40 GLN HG3 H 2.333 0.030 1 397 40 40 GLN HE21 H 7.721 0.030 2 398 40 40 GLN HE22 H 6.852 0.030 2 399 40 40 GLN C C 175.916 0.300 1 400 40 40 GLN CA C 55.831 0.300 1 401 40 40 GLN CB C 28.594 0.300 1 402 40 40 GLN CG C 34.115 0.300 1 403 40 40 GLN N N 119.914 0.300 1 404 40 40 GLN NE2 N 112.625 0.300 1 405 41 41 LYS H H 8.600 0.030 1 406 41 41 LYS HA H 4.119 0.030 1 407 41 41 LYS HB2 H 1.810 0.030 1 408 41 41 LYS HB3 H 1.810 0.030 1 409 41 41 LYS HG2 H 1.415 0.030 1 410 41 41 LYS HG3 H 1.415 0.030 1 411 41 41 LYS HE2 H 2.988 0.030 1 412 41 41 LYS HE3 H 2.988 0.030 1 413 41 41 LYS C C 177.438 0.300 1 414 41 41 LYS CA C 57.597 0.300 1 415 41 41 LYS CB C 32.852 0.300 1 416 41 41 LYS CG C 24.813 0.300 1 417 41 41 LYS CD C 29.051 0.300 1 418 41 41 LYS CE C 42.244 0.300 1 419 41 41 LYS N N 121.977 0.300 1 420 42 42 GLU H H 8.502 0.030 1 421 42 42 GLU HA H 4.341 0.030 1 422 42 42 GLU HB2 H 2.065 0.030 2 423 42 42 GLU HB3 H 1.936 0.030 2 424 42 42 GLU HG2 H 2.237 0.030 1 425 42 42 GLU HG3 H 2.237 0.030 1 426 42 42 GLU C C 176.420 0.300 1 427 42 42 GLU CA C 56.065 0.300 1 428 42 42 GLU CB C 29.991 0.300 1 429 42 42 GLU CG C 36.268 0.300 1 430 42 42 GLU N N 119.398 0.300 1 431 43 43 LYS H H 8.218 0.030 1 432 43 43 LYS HA H 4.170 0.030 1 433 43 43 LYS HB2 H 1.760 0.030 1 434 43 43 LYS HB3 H 1.760 0.030 1 435 43 43 LYS HG2 H 1.441 0.030 2 436 43 43 LYS HG3 H 1.369 0.030 2 437 43 43 LYS HE2 H 2.948 0.030 1 438 43 43 LYS HE3 H 2.948 0.030 1 439 43 43 LYS C C 176.753 0.300 1 440 43 43 LYS CA C 56.408 0.300 1 441 43 43 LYS CB C 32.613 0.300 1 442 43 43 LYS CG C 24.921 0.300 1 443 43 43 LYS CD C 29.051 0.300 1 444 43 43 LYS CE C 42.312 0.300 1 445 43 43 LYS N N 121.920 0.300 1 446 44 44 ARG H H 8.322 0.030 1 447 44 44 ARG HA H 3.713 0.030 1 448 44 44 ARG HB2 H 1.304 0.030 2 449 44 44 ARG HB3 H 1.086 0.030 2 450 44 44 ARG HG2 H 1.176 0.030 2 451 44 44 ARG HG3 H 0.866 0.030 2 452 44 44 ARG HD2 H 2.466 0.030 2 453 44 44 ARG HD3 H 2.408 0.030 2 454 44 44 ARG C C 175.583 0.300 1 455 44 44 ARG CA C 56.262 0.300 1 456 44 44 ARG CB C 29.419 0.300 1 457 44 44 ARG CG C 26.889 0.300 1 458 44 44 ARG CD C 43.222 0.300 1 459 44 44 ARG N N 122.258 0.300 1 460 45 45 GLN H H 8.128 0.030 1 461 45 45 GLN HA H 4.546 0.030 1 462 45 45 GLN HB2 H 2.119 0.030 2 463 45 45 GLN HB3 H 1.949 0.030 2 464 45 45 GLN HG2 H 2.304 0.030 1 465 45 45 GLN HG3 H 2.304 0.030 1 466 45 45 GLN HE21 H 7.492 0.030 2 467 45 45 GLN HE22 H 6.851 0.030 2 468 45 45 GLN C C 176.249 0.300 1 469 45 45 GLN CA C 55.188 0.300 1 470 45 45 GLN CB C 30.712 0.300 1 471 45 45 GLN CG C 33.768 0.300 1 472 45 45 GLN N N 119.973 0.300 1 473 45 45 GLN NE2 N 112.363 0.300 1 474 46 46 GLY H H 8.469 0.030 1 475 46 46 GLY HA2 H 4.199 0.030 2 476 46 46 GLY HA3 H 4.055 0.030 2 477 46 46 GLY C C 171.644 0.300 1 478 46 46 GLY CA C 44.686 0.300 1 479 46 46 GLY N N 109.601 0.300 1 480 47 47 PRO HA H 4.300 0.030 1 481 47 47 PRO HB2 H 2.245 0.030 2 482 47 47 PRO HB3 H 1.911 0.030 2 483 47 47 PRO HG2 H 1.883 0.030 1 484 47 47 PRO HG3 H 1.883 0.030 1 485 47 47 PRO HD2 H 3.546 0.030 1 486 47 47 PRO HD3 H 3.546 0.030 1 487 47 47 PRO C C 176.993 0.300 1 488 47 47 PRO CA C 62.883 0.300 1 489 47 47 PRO CB C 32.268 0.300 1 490 47 47 PRO CG C 27.411 0.300 1 491 47 47 PRO CD C 49.571 0.300 1 492 48 48 GLN H H 8.057 0.030 1 493 48 48 GLN HA H 1.603 0.030 1 494 48 48 GLN HB2 H 1.095 0.030 2 495 48 48 GLN HB3 H 1.048 0.030 2 496 48 48 GLN HG2 H 1.161 0.030 1 497 48 48 GLN HG3 H 1.161 0.030 1 498 48 48 GLN HE21 H 6.727 0.030 2 499 48 48 GLN HE22 H 6.633 0.030 2 500 48 48 GLN C C 176.631 0.300 1 501 48 48 GLN CA C 57.053 0.300 1 502 48 48 GLN CB C 28.151 0.300 1 503 48 48 GLN CG C 33.426 0.300 1 504 48 48 GLN N N 121.117 0.300 1 505 48 48 GLN NE2 N 111.577 0.300 1 506 49 49 GLU H H 8.596 0.030 1 507 49 49 GLU HA H 3.999 0.030 1 508 49 49 GLU HB2 H 1.938 0.030 1 509 49 49 GLU HB3 H 1.938 0.030 1 510 49 49 GLU HG2 H 2.209 0.030 1 511 49 49 GLU HG3 H 2.209 0.030 1 512 49 49 GLU C C 177.227 0.300 1 513 49 49 GLU CA C 58.682 0.300 1 514 49 49 GLU CB C 28.707 0.300 1 515 49 49 GLU CG C 36.502 0.300 1 516 49 49 GLU N N 116.992 0.300 1 517 50 50 GLN H H 7.918 0.030 1 518 50 50 GLN HA H 4.417 0.030 1 519 50 50 GLN HB2 H 2.337 0.030 2 520 50 50 GLN HB3 H 2.017 0.030 2 521 50 50 GLN HG2 H 2.306 0.030 1 522 50 50 GLN HG3 H 2.306 0.030 1 523 50 50 GLN HE21 H 7.574 0.030 2 524 50 50 GLN HE22 H 6.861 0.030 2 525 50 50 GLN C C 175.695 0.300 1 526 50 50 GLN CA C 55.255 0.300 1 527 50 50 GLN CB C 28.980 0.300 1 528 50 50 GLN CG C 34.080 0.300 1 529 50 50 GLN N N 116.648 0.300 1 530 50 50 GLN NE2 N 111.856 0.300 1 531 51 51 TRP H H 7.827 0.030 1 532 51 51 TRP HA H 4.871 0.030 1 533 51 51 TRP HB2 H 3.390 0.030 2 534 51 51 TRP HB3 H 3.241 0.030 2 535 51 51 TRP HD1 H 6.782 0.030 1 536 51 51 TRP HE1 H 9.180 0.030 1 537 51 51 TRP HE3 H 6.971 0.030 1 538 51 51 TRP HZ2 H 7.345 0.030 1 539 51 51 TRP HZ3 H 6.915 0.030 1 540 51 51 TRP HH2 H 7.140 0.030 1 541 51 51 TRP C C 177.196 0.300 1 542 51 51 TRP CA C 55.518 0.300 1 543 51 51 TRP CB C 30.262 0.300 1 544 51 51 TRP CD1 C 125.325 0.300 1 545 51 51 TRP CE3 C 121.015 0.300 1 546 51 51 TRP CZ2 C 114.550 0.300 1 547 51 51 TRP CZ3 C 121.133 0.300 1 548 51 51 TRP CH2 C 124.523 0.300 1 549 51 51 TRP N N 121.805 0.300 1 550 51 51 TRP NE1 N 127.801 0.300 1 551 52 52 LEU H H 8.558 0.030 1 552 52 52 LEU HA H 4.186 0.030 1 553 52 52 LEU HB2 H 1.515 0.030 2 554 52 52 LEU HB3 H 0.893 0.030 2 555 52 52 LEU HG H 1.738 0.030 1 556 52 52 LEU HD1 H 0.908 0.030 1 557 52 52 LEU HD2 H 0.780 0.030 1 558 52 52 LEU C C 174.888 0.300 1 559 52 52 LEU CA C 55.674 0.300 1 560 52 52 LEU CB C 42.085 0.300 1 561 52 52 LEU CG C 26.598 0.300 1 562 52 52 LEU CD1 C 25.247 0.300 2 563 52 52 LEU CD2 C 23.295 0.300 2 564 52 52 LEU N N 121.289 0.300 1 565 53 53 ARG H H 8.079 0.030 1 566 53 53 ARG HA H 4.161 0.030 1 567 53 53 ARG HB2 H 1.486 0.030 2 568 53 53 ARG HB3 H 1.452 0.030 2 569 53 53 ARG HG2 H 1.195 0.030 2 570 53 53 ARG HG3 H 0.969 0.030 2 571 53 53 ARG HD2 H 2.927 0.030 2 572 53 53 ARG HD3 H 2.851 0.030 2 573 53 53 ARG C C 174.939 0.300 1 574 53 53 ARG CA C 54.633 0.300 1 575 53 53 ARG CB C 33.636 0.300 1 576 53 53 ARG CG C 27.867 0.300 1 577 53 53 ARG CD C 43.406 0.300 1 578 53 53 ARG N N 120.373 0.300 1 579 54 54 PHE H H 8.691 0.030 1 580 54 54 PHE HA H 5.587 0.030 1 581 54 54 PHE HB2 H 3.281 0.030 2 582 54 54 PHE HB3 H 3.036 0.030 2 583 54 54 PHE HD1 H 7.493 0.030 1 584 54 54 PHE HD2 H 7.493 0.030 1 585 54 54 PHE HE1 H 7.438 0.030 1 586 54 54 PHE HE2 H 7.438 0.030 1 587 54 54 PHE HZ H 7.416 0.030 1 588 54 54 PHE C C 175.644 0.300 1 589 54 54 PHE CA C 56.411 0.300 1 590 54 54 PHE CB C 42.284 0.300 1 591 54 54 PHE CD1 C 132.508 0.300 1 592 54 54 PHE CD2 C 132.508 0.300 1 593 54 54 PHE CE1 C 131.918 0.300 1 594 54 54 PHE CE2 C 131.918 0.300 1 595 54 54 PHE CZ C 130.161 0.300 1 596 54 54 PHE N N 124.590 0.300 1 597 55 55 SER H H 9.069 0.030 1 598 55 55 SER HA H 5.716 0.030 1 599 55 55 SER HB2 H 3.926 0.030 2 600 55 55 SER HB3 H 3.623 0.030 2 601 55 55 SER C C 172.872 0.300 1 602 55 55 SER CA C 56.500 0.300 1 603 55 55 SER CB C 65.558 0.300 1 604 55 55 SER N N 113.555 0.300 1 605 56 56 ILE H H 8.866 0.030 1 606 56 56 ILE HA H 4.910 0.030 1 607 56 56 ILE HB H 1.813 0.030 1 608 56 56 ILE HG12 H 0.941 0.030 1 609 56 56 ILE HG13 H 0.941 0.030 1 610 56 56 ILE HG2 H 0.736 0.030 1 611 56 56 ILE HD1 H 0.024 0.030 1 612 56 56 ILE C C 175.301 0.300 1 613 56 56 ILE CA C 57.345 0.300 1 614 56 56 ILE CB C 37.735 0.300 1 615 56 56 ILE CG1 C 26.353 0.300 1 616 56 56 ILE CG2 C 17.939 0.300 1 617 56 56 ILE CD1 C 9.537 0.300 1 618 56 56 ILE N N 122.836 0.300 1 619 57 57 GLU H H 9.030 0.030 1 620 57 57 GLU HA H 5.502 0.030 1 621 57 57 GLU HB2 H 1.978 0.030 2 622 57 57 GLU HB3 H 1.787 0.030 2 623 57 57 GLU HG2 H 2.023 0.030 2 624 57 57 GLU HG3 H 1.969 0.030 2 625 57 57 GLU C C 174.686 0.300 1 626 57 57 GLU CA C 53.355 0.300 1 627 57 57 GLU CB C 34.113 0.300 1 628 57 57 GLU CG C 36.140 0.300 1 629 57 57 GLU N N 125.684 0.300 1 630 58 58 GLU H H 9.274 0.030 1 631 58 58 GLU HA H 5.402 0.030 1 632 58 58 GLU HB2 H 2.186 0.030 2 633 58 58 GLU HB3 H 2.013 0.030 2 634 58 58 GLU C C 176.501 0.300 1 635 58 58 GLU CA C 53.622 0.300 1 636 58 58 GLU CB C 34.944 0.300 1 637 58 58 GLU CG C 34.961 0.300 1 638 58 58 GLU N N 123.524 0.300 1 639 59 59 GLU H H 8.568 0.030 1 640 59 59 GLU HA H 3.530 0.030 1 641 59 59 GLU HB2 H 1.745 0.030 2 642 59 59 GLU HB3 H 1.261 0.030 2 643 59 59 GLU HG2 H 1.528 0.030 2 644 59 59 GLU HG3 H 1.152 0.030 2 645 59 59 GLU C C 175.745 0.300 1 646 59 59 GLU CA C 55.943 0.300 1 647 59 59 GLU CB C 30.944 0.300 1 648 59 59 GLU CG C 36.334 0.300 1 649 59 59 GLU N N 130.778 0.300 1 650 60 60 ASP H H 8.864 0.030 1 651 60 60 ASP HA H 4.911 0.030 1 652 60 60 ASP HB2 H 2.659 0.030 2 653 60 60 ASP HB3 H 2.612 0.030 2 654 60 60 ASP C C 175.805 0.300 1 655 60 60 ASP CA C 51.420 0.300 1 656 60 60 ASP CB C 42.091 0.300 1 657 60 60 ASP N N 129.883 0.300 1 658 61 61 PRO HA H 4.140 0.030 1 659 61 61 PRO HB2 H 2.242 0.030 2 660 61 61 PRO HB3 H 1.850 0.030 2 661 61 61 PRO HG2 H 2.028 0.030 2 662 61 61 PRO HG3 H 1.846 0.030 2 663 61 61 PRO HD2 H 3.839 0.030 1 664 61 61 PRO HD3 H 3.839 0.030 1 665 61 61 PRO C C 177.073 0.300 1 666 61 61 PRO CA C 64.121 0.300 1 667 61 61 PRO CB C 32.089 0.300 1 668 61 61 PRO CG C 26.914 0.300 1 669 61 61 PRO CD C 51.159 0.300 1 670 62 62 LYS H H 7.953 0.030 1 671 62 62 LYS HA H 4.119 0.030 1 672 62 62 LYS HB2 H 1.770 0.030 1 673 62 62 LYS HB3 H 1.770 0.030 1 674 62 62 LYS HG2 H 1.383 0.030 2 675 62 62 LYS HG3 H 1.286 0.030 2 676 62 62 LYS HD2 H 1.634 0.030 1 677 62 62 LYS HD3 H 1.634 0.030 1 678 62 62 LYS HE2 H 2.948 0.030 1 679 62 62 LYS HE3 H 2.948 0.030 1 680 62 62 LYS C C 177.428 0.300 1 681 62 62 LYS CA C 57.528 0.300 1 682 62 62 LYS CB C 32.852 0.300 1 683 62 62 LYS CG C 25.192 0.300 1 684 62 62 LYS CD C 28.932 0.300 1 685 62 62 LYS CE C 42.039 0.300 1 686 62 62 LYS N N 117.336 0.300 1 687 63 63 MET H H 7.738 0.030 1 688 63 63 MET HA H 4.415 0.030 1 689 63 63 MET HB2 H 2.051 0.030 2 690 63 63 MET HB3 H 1.776 0.030 2 691 63 63 MET HG2 H 2.572 0.030 2 692 63 63 MET HG3 H 2.327 0.030 2 693 63 63 MET HE H 2.015 0.030 1 694 63 63 MET C C 176.722 0.300 1 695 63 63 MET CA C 54.257 0.300 1 696 63 63 MET CB C 32.880 0.300 1 697 63 63 MET CG C 32.090 0.300 1 698 63 63 MET CE C 16.590 0.300 1 699 63 63 MET N N 114.816 0.300 1 700 64 64 HIS H H 8.047 0.030 1 701 64 64 HIS HA H 4.145 0.030 1 702 64 64 HIS HB2 H 3.335 0.030 2 703 64 64 HIS HB3 H 3.180 0.030 2 704 64 64 HIS HD2 H 6.910 0.030 1 705 64 64 HIS C C 173.154 0.300 1 706 64 64 HIS CA C 56.885 0.300 1 707 64 64 HIS CB C 26.302 0.300 1 708 64 64 HIS CD2 C 120.432 0.300 1 709 64 64 HIS N N 114.466 0.300 1 710 65 65 SER H H 7.103 0.030 1 711 65 65 SER HA H 4.632 0.030 1 712 65 65 SER HB2 H 3.879 0.030 2 713 65 65 SER HB3 H 3.638 0.030 2 714 65 65 SER C C 172.619 0.300 1 715 65 65 SER CA C 55.954 0.300 1 716 65 65 SER CB C 65.491 0.300 1 717 65 65 SER N N 110.457 0.300 1 718 66 66 TYR H H 8.715 0.030 1 719 66 66 TYR HA H 4.883 0.030 1 720 66 66 TYR HB2 H 2.736 0.030 2 721 66 66 TYR HB3 H 2.609 0.030 2 722 66 66 TYR HD1 H 6.718 0.030 1 723 66 66 TYR HD2 H 6.718 0.030 1 724 66 66 TYR HE1 H 6.435 0.030 1 725 66 66 TYR HE2 H 6.435 0.030 1 726 66 66 TYR C C 176.159 0.300 1 727 66 66 TYR CA C 58.332 0.300 1 728 66 66 TYR CB C 41.223 0.300 1 729 66 66 TYR CD1 C 132.175 0.300 1 730 66 66 TYR CD2 C 132.175 0.300 1 731 66 66 TYR CE1 C 118.832 0.300 1 732 66 66 TYR CE2 C 118.832 0.300 1 733 66 66 TYR N N 120.318 0.300 1 734 67 67 GLY H H 8.423 0.030 1 735 67 67 GLY HA2 H 4.632 0.030 2 736 67 67 GLY HA3 H 3.722 0.030 2 737 67 67 GLY C C 173.073 0.300 1 738 67 67 GLY CA C 43.705 0.300 1 739 67 67 GLY N N 109.856 0.300 1 740 68 68 VAL H H 8.839 0.030 1 741 68 68 VAL HA H 4.154 0.030 1 742 68 68 VAL HB H 2.011 0.030 1 743 68 68 VAL HG1 H 1.038 0.030 1 744 68 68 VAL HG2 H 0.831 0.030 1 745 68 68 VAL C C 177.207 0.300 1 746 68 68 VAL CA C 64.146 0.300 1 747 68 68 VAL CB C 32.276 0.300 1 748 68 68 VAL CG1 C 22.900 0.300 2 749 68 68 VAL CG2 C 21.675 0.300 2 750 68 68 VAL N N 124.007 0.300 1 751 69 69 ILE H H 8.926 0.030 1 752 69 69 ILE HA H 4.742 0.030 1 753 69 69 ILE HB H 2.261 0.030 1 754 69 69 ILE HG12 H 1.260 0.030 2 755 69 69 ILE HG13 H 1.157 0.030 2 756 69 69 ILE HG2 H 1.095 0.030 1 757 69 69 ILE HD1 H 1.161 0.030 1 758 69 69 ILE C C 175.150 0.300 1 759 69 69 ILE CA C 61.043 0.300 1 760 69 69 ILE CB C 39.594 0.300 1 761 69 69 ILE CG1 C 27.017 0.300 1 762 69 69 ILE CG2 C 18.720 0.300 1 763 69 69 ILE CD1 C 16.004 0.300 1 764 69 69 ILE N N 121.342 0.300 1 765 70 70 TYR H H 7.460 0.030 1 766 70 70 TYR HA H 4.416 0.030 1 767 70 70 TYR HB2 H 2.262 0.030 2 768 70 70 TYR HB3 H 1.832 0.030 2 769 70 70 TYR HD1 H 6.625 0.030 1 770 70 70 TYR HD2 H 6.625 0.030 1 771 70 70 TYR HE1 H 6.813 0.030 1 772 70 70 TYR HE2 H 6.813 0.030 1 773 70 70 TYR C C 173.960 0.300 1 774 70 70 TYR CA C 58.596 0.300 1 775 70 70 TYR CB C 41.544 0.300 1 776 70 70 TYR CD1 C 132.022 0.300 1 777 70 70 TYR CD2 C 132.022 0.300 1 778 70 70 TYR CE1 C 118.151 0.300 1 779 70 70 TYR CE2 C 118.151 0.300 1 780 70 70 TYR N N 122.171 0.300 1 781 71 71 THR H H 7.309 0.030 1 782 71 71 THR HA H 4.920 0.030 1 783 71 71 THR HB H 3.738 0.030 1 784 71 71 THR HG2 H 0.885 0.030 1 785 71 71 THR C C 171.259 0.300 1 786 71 71 THR CA C 60.128 0.300 1 787 71 71 THR CB C 70.635 0.300 1 788 71 71 THR CG2 C 19.020 0.300 1 789 71 71 THR N N 122.724 0.300 1 790 72 72 GLY H H 8.736 0.030 1 791 72 72 GLY HA2 H 4.388 0.030 2 792 72 72 GLY HA3 H 3.447 0.030 2 793 72 72 GLY C C 171.561 0.300 1 794 72 72 GLY CA C 45.681 0.300 1 795 72 72 GLY N N 114.152 0.300 1 796 73 73 TYR H H 8.889 0.030 1 797 73 73 TYR HA H 5.191 0.030 1 798 73 73 TYR HB2 H 3.755 0.030 2 799 73 73 TYR HB3 H 2.885 0.030 2 800 73 73 TYR HD1 H 7.446 0.030 1 801 73 73 TYR HD2 H 7.446 0.030 1 802 73 73 TYR HE1 H 6.661 0.030 1 803 73 73 TYR HE2 H 6.661 0.030 1 804 73 73 TYR C C 176.299 0.300 1 805 73 73 TYR CA C 58.215 0.300 1 806 73 73 TYR CB C 39.633 0.300 1 807 73 73 TYR CD1 C 133.745 0.300 1 808 73 73 TYR CD2 C 133.745 0.300 1 809 73 73 TYR CE1 C 118.341 0.300 1 810 73 73 TYR CE2 C 118.341 0.300 1 811 73 73 TYR N N 117.763 0.300 1 812 74 74 ALA H H 8.213 0.030 1 813 74 74 ALA HA H 4.585 0.030 1 814 74 74 ALA HB H 1.667 0.030 1 815 74 74 ALA C C 175.341 0.300 1 816 74 74 ALA CA C 52.107 0.300 1 817 74 74 ALA CB C 19.984 0.300 1 818 74 74 ALA N N 123.352 0.300 1 819 75 75 THR H H 7.599 0.030 1 820 75 75 THR HA H 2.885 0.030 1 821 75 75 THR HB H 3.808 0.030 1 822 75 75 THR HG2 H 0.781 0.030 1 823 75 75 THR C C 171.743 0.300 1 824 75 75 THR CA C 58.865 0.300 1 825 75 75 THR CB C 67.296 0.300 1 826 75 75 THR CG2 C 21.600 0.300 1 827 75 75 THR N N 102.893 0.300 1 828 76 76 ARG H H 6.251 0.030 1 829 76 76 ARG HA H 4.240 0.030 1 830 76 76 ARG HB2 H 1.459 0.030 2 831 76 76 ARG HB3 H 1.298 0.030 2 832 76 76 ARG HG2 H 1.199 0.030 2 833 76 76 ARG HG3 H 1.141 0.030 2 834 76 76 ARG HD2 H 2.958 0.030 2 835 76 76 ARG HD3 H 2.837 0.030 2 836 76 76 ARG C C 174.152 0.300 1 837 76 76 ARG CA C 54.590 0.300 1 838 76 76 ARG CB C 33.363 0.300 1 839 76 76 ARG CG C 26.727 0.300 1 840 76 76 ARG CD C 43.474 0.300 1 841 76 76 ARG N N 117.463 0.300 1 842 77 77 HIS H H 8.850 0.030 1 843 77 77 HIS HA H 4.453 0.030 1 844 77 77 HIS HB2 H 2.541 0.030 2 845 77 77 HIS HB3 H 2.312 0.030 2 846 77 77 HIS HD2 H 6.186 0.030 1 847 77 77 HIS HE1 H 7.887 0.030 1 848 77 77 HIS C C 172.287 0.300 1 849 77 77 HIS CA C 56.703 0.300 1 850 77 77 HIS CB C 34.185 0.300 1 851 77 77 HIS CD2 C 123.148 0.300 1 852 77 77 HIS CE1 C 139.550 0.300 1 853 77 77 HIS N N 121.977 0.300 1 854 78 78 VAL H H 7.342 0.030 1 855 78 78 VAL HA H 4.138 0.030 1 856 78 78 VAL HB H 1.703 0.030 1 857 78 78 VAL HG1 H 0.712 0.030 1 858 78 78 VAL HG2 H 0.526 0.030 1 859 78 78 VAL C C 173.789 0.300 1 860 78 78 VAL CA C 61.341 0.300 1 861 78 78 VAL CB C 31.805 0.300 1 862 78 78 VAL CG1 C 20.857 0.300 2 863 78 78 VAL CG2 C 20.984 0.300 2 864 78 78 VAL N N 126.064 0.300 1 865 79 79 VAL H H 8.816 0.030 1 866 79 79 VAL HA H 3.617 0.030 1 867 79 79 VAL HB H 1.957 0.030 1 868 79 79 VAL HG1 H 0.955 0.030 1 869 79 79 VAL HG2 H 0.563 0.030 1 870 79 79 VAL C C 174.747 0.300 1 871 79 79 VAL CA C 62.457 0.300 1 872 79 79 VAL CB C 31.297 0.300 1 873 79 79 VAL CG1 C 22.843 0.300 1 874 79 79 VAL CG2 C 20.666 0.300 1 875 79 79 VAL N N 129.244 0.300 1 876 80 80 GLU H H 8.027 0.030 1 877 80 80 GLU HA H 4.712 0.030 1 878 80 80 GLU HB2 H 2.063 0.030 2 879 80 80 GLU HB3 H 1.790 0.030 2 880 80 80 GLU HG2 H 2.155 0.030 2 881 80 80 GLU HG3 H 1.947 0.030 2 882 80 80 GLU C C 176.531 0.300 1 883 80 80 GLU CA C 54.996 0.300 1 884 80 80 GLU CB C 33.118 0.300 1 885 80 80 GLU CG C 37.056 0.300 1 886 80 80 GLU N N 125.898 0.300 1 887 81 81 GLY H H 9.110 0.030 1 888 81 81 GLY HA2 H 3.927 0.030 1 889 81 81 GLY HA3 H 3.927 0.030 1 890 81 81 GLY C C 175.664 0.300 1 891 81 81 GLY CA C 46.485 0.300 1 892 81 81 GLY N N 108.477 0.300 1 893 82 82 LEU H H 8.233 0.030 1 894 82 82 LEU HA H 4.381 0.030 1 895 82 82 LEU HB2 H 1.513 0.030 2 896 82 82 LEU HB3 H 0.978 0.030 2 897 82 82 LEU HG H 1.032 0.030 1 898 82 82 LEU HD1 H 0.104 0.030 1 899 82 82 LEU HD2 H 0.202 0.030 1 900 82 82 LEU CA C 53.337 0.300 1 901 82 82 LEU CB C 41.354 0.300 1 902 82 82 LEU CG C 25.907 0.300 1 903 82 82 LEU CD1 C 25.267 0.300 1 904 82 82 LEU CD2 C 19.468 0.300 1 905 82 82 LEU N N 119.255 0.300 1 906 83 83 GLU H H 8.232 0.030 1 907 83 83 GLU HA H 4.836 0.030 1 908 83 83 GLU HB2 H 2.098 0.030 2 909 83 83 GLU HB3 H 1.947 0.030 2 910 83 83 GLU HG2 H 2.432 0.030 2 911 83 83 GLU HG3 H 2.337 0.030 2 912 83 83 GLU CB C 30.857 0.300 1 913 83 83 GLU CG C 36.083 0.300 1 914 83 83 GLU N N 119.235 0.300 1 915 84 84 PRO HA H 5.101 0.030 1 916 84 84 PRO HB2 H 2.661 0.030 2 917 84 84 PRO HB3 H 2.041 0.030 2 918 84 84 PRO HG2 H 2.163 0.030 1 919 84 84 PRO HG3 H 2.163 0.030 1 920 84 84 PRO HD2 H 4.137 0.030 2 921 84 84 PRO HD3 H 3.731 0.030 2 922 84 84 PRO C C 177.858 0.300 1 923 84 84 PRO CA C 63.180 0.300 1 924 84 84 PRO CB C 33.748 0.300 1 925 84 84 PRO CG C 27.570 0.300 1 926 84 84 PRO CD C 50.910 0.300 1 927 85 85 ARG H H 7.614 0.030 1 928 85 85 ARG HA H 3.828 0.030 1 929 85 85 ARG HB2 H 1.931 0.030 2 930 85 85 ARG HB3 H 1.700 0.030 2 931 85 85 ARG HG2 H 1.576 0.030 2 932 85 85 ARG HG3 H 1.521 0.030 2 933 85 85 ARG HD2 H 3.207 0.030 1 934 85 85 ARG HD3 H 3.207 0.030 1 935 85 85 ARG C C 174.787 0.300 1 936 85 85 ARG CA C 56.281 0.300 1 937 85 85 ARG CB C 29.547 0.300 1 938 85 85 ARG CG C 27.985 0.300 1 939 85 85 ARG CD C 43.881 0.300 1 940 85 85 ARG N N 122.570 0.300 1 941 86 86 THR H H 8.315 0.030 1 942 86 86 THR HA H 4.347 0.030 1 943 86 86 THR HB H 3.884 0.030 1 944 86 86 THR HG2 H 0.600 0.030 1 945 86 86 THR C C 170.685 0.300 1 946 86 86 THR CA C 62.745 0.300 1 947 86 86 THR CB C 71.786 0.300 1 948 86 86 THR CG2 C 19.635 0.300 1 949 86 86 THR N N 116.314 0.300 1 950 87 87 LEU H H 8.024 0.030 1 951 87 87 LEU HA H 4.296 0.030 1 952 87 87 LEU HB2 H 1.625 0.030 2 953 87 87 LEU HB3 H 1.305 0.030 2 954 87 87 LEU HG H 1.304 0.030 1 955 87 87 LEU HD1 H 0.783 0.030 1 956 87 87 LEU HD2 H 0.783 0.030 1 957 87 87 LEU C C 174.968 0.300 1 958 87 87 LEU CA C 54.924 0.300 1 959 87 87 LEU CB C 43.117 0.300 1 960 87 87 LEU CG C 26.991 0.300 1 961 87 87 LEU CD1 C 25.497 0.300 2 962 87 87 LEU CD2 C 23.993 0.300 2 963 87 87 LEU N N 126.518 0.300 1 964 88 88 TYR H H 9.101 0.030 1 965 88 88 TYR HA H 4.381 0.030 1 966 88 88 TYR HB2 H 2.601 0.030 2 967 88 88 TYR HB3 H 2.342 0.030 2 968 88 88 TYR HD1 H 7.148 0.030 1 969 88 88 TYR HD2 H 7.148 0.030 1 970 88 88 TYR HE1 H 6.845 0.030 1 971 88 88 TYR HE2 H 6.845 0.030 1 972 88 88 TYR C C 173.658 0.300 1 973 88 88 TYR CA C 58.152 0.300 1 974 88 88 TYR CB C 43.823 0.300 1 975 88 88 TYR CD1 C 134.045 0.300 1 976 88 88 TYR CD2 C 134.045 0.300 1 977 88 88 TYR CE1 C 118.960 0.300 1 978 88 88 TYR CE2 C 118.960 0.300 1 979 88 88 TYR N N 127.993 0.300 1 980 89 89 LYS H H 8.011 0.030 1 981 89 89 LYS HA H 5.254 0.030 1 982 89 89 LYS HB2 H 1.528 0.030 2 983 89 89 LYS HB3 H 1.466 0.030 2 984 89 89 LYS HG2 H 1.247 0.030 2 985 89 89 LYS HG3 H 1.204 0.030 2 986 89 89 LYS HD2 H 1.508 0.030 2 987 89 89 LYS HD3 H 1.451 0.030 2 988 89 89 LYS HE2 H 2.738 0.030 1 989 89 89 LYS HE3 H 2.738 0.030 1 990 89 89 LYS C C 175.281 0.300 1 991 89 89 LYS CA C 55.026 0.300 1 992 89 89 LYS CB C 36.054 0.300 1 993 89 89 LYS CG C 25.325 0.300 1 994 89 89 LYS CD C 29.416 0.300 1 995 89 89 LYS CE C 42.449 0.300 1 996 89 89 LYS N N 118.883 0.300 1 997 90 90 PHE H H 8.755 0.030 1 998 90 90 PHE HA H 6.219 0.030 1 999 90 90 PHE HB2 H 3.062 0.030 2 1000 90 90 PHE HB3 H 2.453 0.030 2 1001 90 90 PHE HD1 H 7.019 0.030 1 1002 90 90 PHE HD2 H 7.019 0.030 1 1003 90 90 PHE HE1 H 7.233 0.030 1 1004 90 90 PHE HE2 H 7.233 0.030 1 1005 90 90 PHE HZ H 6.764 0.030 1 1006 90 90 PHE C C 174.898 0.300 1 1007 90 90 PHE CA C 55.107 0.300 1 1008 90 90 PHE CB C 44.613 0.300 1 1009 90 90 PHE CD1 C 131.680 0.300 1 1010 90 90 PHE CD2 C 131.680 0.300 1 1011 90 90 PHE CE1 C 131.467 0.300 1 1012 90 90 PHE CE2 C 131.467 0.300 1 1013 90 90 PHE CZ C 129.022 0.300 1 1014 90 90 PHE N N 117.508 0.300 1 1015 91 91 ARG H H 9.122 0.030 1 1016 91 91 ARG HA H 4.652 0.030 1 1017 91 91 ARG HB2 H 1.812 0.030 2 1018 91 91 ARG HB3 H 1.540 0.030 2 1019 91 91 ARG HG2 H 1.365 0.030 2 1020 91 91 ARG HG3 H 1.043 0.030 2 1021 91 91 ARG HD2 H 2.328 0.030 2 1022 91 91 ARG HD3 H 1.972 0.030 2 1023 91 91 ARG HE H 5.974 0.030 1 1024 91 91 ARG C C 171.965 0.300 1 1025 91 91 ARG CA C 54.738 0.300 1 1026 91 91 ARG CB C 33.962 0.300 1 1027 91 91 ARG CG C 25.243 0.300 1 1028 91 91 ARG CD C 43.477 0.300 1 1029 91 91 ARG N N 114.154 0.300 1 1030 91 91 ARG NE N 83.326 0.300 1 1031 92 92 LEU H H 8.421 0.030 1 1032 92 92 LEU HA H 4.993 0.030 1 1033 92 92 LEU HB2 H 1.562 0.030 2 1034 92 92 LEU HB3 H 0.768 0.030 2 1035 92 92 LEU HG H 1.160 0.030 1 1036 92 92 LEU HD1 H 0.515 0.030 1 1037 92 92 LEU HD2 H -0.116 0.030 1 1038 92 92 LEU C C 173.427 0.300 1 1039 92 92 LEU CA C 53.066 0.300 1 1040 92 92 LEU CB C 46.189 0.300 1 1041 92 92 LEU CG C 27.176 0.300 1 1042 92 92 LEU CD1 C 26.932 0.300 2 1043 92 92 LEU CD2 C 22.352 0.300 2 1044 92 92 LEU N N 123.524 0.300 1 1045 93 93 LYS H H 9.424 0.030 1 1046 93 93 LYS HA H 4.923 0.030 1 1047 93 93 LYS HB2 H 1.672 0.030 2 1048 93 93 LYS HB3 H 1.317 0.030 2 1049 93 93 LYS HG2 H 0.864 0.030 2 1050 93 93 LYS HG3 H 0.210 0.030 2 1051 93 93 LYS HD2 H 1.153 0.030 2 1052 93 93 LYS HD3 H 1.085 0.030 2 1053 93 93 LYS HE2 H 2.088 0.030 2 1054 93 93 LYS HE3 H 1.913 0.030 2 1055 93 93 LYS C C 175.301 0.300 1 1056 93 93 LYS CA C 54.097 0.300 1 1057 93 93 LYS CB C 37.766 0.300 1 1058 93 93 LYS CG C 24.479 0.300 1 1059 93 93 LYS CD C 30.047 0.300 1 1060 93 93 LYS CE C 41.517 0.300 1 1061 93 93 LYS N N 128.164 0.300 1 1062 94 94 VAL H H 8.765 0.030 1 1063 94 94 VAL HA H 4.867 0.030 1 1064 94 94 VAL HB H 1.891 0.030 1 1065 94 94 VAL HG1 H 0.988 0.030 1 1066 94 94 VAL HG2 H 0.971 0.030 1 1067 94 94 VAL C C 174.445 0.300 1 1068 94 94 VAL CA C 60.242 0.300 1 1069 94 94 VAL CB C 34.317 0.300 1 1070 94 94 VAL CG1 C 21.056 0.300 1 1071 94 94 VAL CG2 C 22.139 0.300 1 1072 94 94 VAL N N 125.487 0.300 1 1073 95 95 THR H H 8.767 0.030 1 1074 95 95 THR HA H 5.144 0.030 1 1075 95 95 THR HB H 3.668 0.030 1 1076 95 95 THR HG2 H 1.256 0.030 1 1077 95 95 THR C C 174.929 0.300 1 1078 95 95 THR CA C 61.243 0.300 1 1079 95 95 THR CB C 70.803 0.300 1 1080 95 95 THR CG2 C 21.243 0.300 1 1081 95 95 THR N N 120.602 0.300 1 1082 96 96 SER H H 9.513 0.030 1 1083 96 96 SER HA H 4.827 0.030 1 1084 96 96 SER HB2 H 4.240 0.030 2 1085 96 96 SER HB3 H 3.856 0.030 2 1086 96 96 SER C C 174.876 0.300 1 1087 96 96 SER CA C 56.277 0.300 1 1088 96 96 SER CB C 63.643 0.300 1 1089 96 96 SER N N 125.302 0.300 1 1090 97 97 PRO HA H 4.387 0.030 1 1091 97 97 PRO HB2 H 2.501 0.030 2 1092 97 97 PRO HB3 H 1.977 0.030 2 1093 97 97 PRO HG2 H 2.036 0.030 2 1094 97 97 PRO HG3 H 1.975 0.030 2 1095 97 97 PRO HD2 H 3.902 0.030 2 1096 97 97 PRO HD3 H 3.609 0.030 2 1097 97 97 PRO CA C 65.365 0.300 1 1098 97 97 PRO CB C 31.847 0.300 1 1099 97 97 PRO CG C 28.140 0.300 1 1100 97 97 PRO CD C 51.184 0.300 1 1101 98 98 SER HA H 4.391 0.030 1 1102 98 98 SER HB2 H 4.164 0.030 2 1103 98 98 SER HB3 H 3.807 0.030 2 1104 98 98 SER C C 175.564 0.300 1 1105 98 98 SER CA C 58.608 0.300 1 1106 98 98 SER CB C 63.360 0.300 1 1107 99 99 GLY H H 8.267 0.030 1 1108 99 99 GLY HA2 H 4.432 0.030 2 1109 99 99 GLY HA3 H 3.464 0.030 2 1110 99 99 GLY C C 174.969 0.300 1 1111 99 99 GLY CA C 45.139 0.300 1 1112 99 99 GLY N N 110.899 0.300 1 1113 100 100 GLU H H 7.793 0.030 1 1114 100 100 GLU HA H 4.176 0.030 1 1115 100 100 GLU HB2 H 1.951 0.030 2 1116 100 100 GLU HB3 H 1.811 0.030 2 1117 100 100 GLU HG2 H 2.193 0.030 1 1118 100 100 GLU HG3 H 2.193 0.030 1 1119 100 100 GLU C C 174.404 0.300 1 1120 100 100 GLU CA C 57.247 0.300 1 1121 100 100 GLU CB C 29.986 0.300 1 1122 100 100 GLU CG C 36.795 0.300 1 1123 100 100 GLU N N 122.054 0.300 1 1124 101 101 TYR H H 7.845 0.030 1 1125 101 101 TYR HA H 5.837 0.030 1 1126 101 101 TYR HB2 H 2.785 0.030 2 1127 101 101 TYR HB3 H 2.442 0.030 2 1128 101 101 TYR HD1 H 6.600 0.030 1 1129 101 101 TYR HD2 H 6.600 0.030 1 1130 101 101 TYR HE1 H 6.815 0.030 1 1131 101 101 TYR HE2 H 6.815 0.030 1 1132 101 101 TYR C C 174.344 0.300 1 1133 101 101 TYR CA C 55.454 0.300 1 1134 101 101 TYR CB C 42.685 0.300 1 1135 101 101 TYR CD1 C 133.598 0.300 1 1136 101 101 TYR CD2 C 133.598 0.300 1 1137 101 101 TYR CE1 C 118.309 0.300 1 1138 101 101 TYR CE2 C 118.309 0.300 1 1139 101 101 TYR N N 115.789 0.300 1 1140 102 102 GLU H H 8.346 0.030 1 1141 102 102 GLU HA H 4.522 0.030 1 1142 102 102 GLU HB2 H 1.969 0.030 2 1143 102 102 GLU HB3 H 1.485 0.030 2 1144 102 102 GLU HG2 H 2.156 0.030 2 1145 102 102 GLU HG3 H 2.041 0.030 2 1146 102 102 GLU C C 174.455 0.300 1 1147 102 102 GLU CA C 54.378 0.300 1 1148 102 102 GLU CB C 36.296 0.300 1 1149 102 102 GLU CG C 35.767 0.300 1 1150 102 102 GLU N N 117.536 0.300 1 1151 103 103 TYR H H 8.994 0.030 1 1152 103 103 TYR HA H 5.567 0.030 1 1153 103 103 TYR HB2 H 3.048 0.030 2 1154 103 103 TYR HB3 H 2.597 0.030 2 1155 103 103 TYR HD1 H 6.898 0.030 1 1156 103 103 TYR HD2 H 6.898 0.030 1 1157 103 103 TYR HE1 H 6.625 0.030 1 1158 103 103 TYR HE2 H 6.625 0.030 1 1159 103 103 TYR C C 177.106 0.300 1 1160 103 103 TYR CA C 57.062 0.300 1 1161 103 103 TYR CB C 42.454 0.300 1 1162 103 103 TYR CD1 C 132.065 0.300 1 1163 103 103 TYR CD2 C 132.065 0.300 1 1164 103 103 TYR CE1 C 117.990 0.300 1 1165 103 103 TYR CE2 C 117.990 0.300 1 1166 103 103 TYR N N 118.144 0.300 1 1167 104 104 SER H H 9.534 0.030 1 1168 104 104 SER HA H 4.873 0.030 1 1169 104 104 SER HB2 H 4.077 0.030 2 1170 104 104 SER HB3 H 3.568 0.030 2 1171 104 104 SER HG H 5.867 0.030 1 1172 104 104 SER C C 172.230 0.300 1 1173 104 104 SER CA C 56.963 0.300 1 1174 104 104 SER CB C 63.823 0.300 1 1175 104 104 SER N N 117.852 0.300 1 1176 105 105 PRO HA H 4.628 0.030 1 1177 105 105 PRO HB2 H 2.551 0.030 2 1178 105 105 PRO HB3 H 1.776 0.030 2 1179 105 105 PRO HG2 H 2.086 0.030 1 1180 105 105 PRO HG3 H 2.086 0.030 1 1181 105 105 PRO HD2 H 3.981 0.030 2 1182 105 105 PRO HD3 H 3.439 0.030 2 1183 105 105 PRO C C 176.006 0.300 1 1184 105 105 PRO CA C 62.570 0.300 1 1185 105 105 PRO CB C 32.486 0.300 1 1186 105 105 PRO CG C 28.151 0.300 1 1187 105 105 PRO CD C 50.986 0.300 1 1188 106 106 VAL H H 8.255 0.030 1 1189 106 106 VAL HA H 4.406 0.030 1 1190 106 106 VAL HB H 1.909 0.030 1 1191 106 106 VAL HG1 H 0.918 0.030 1 1192 106 106 VAL HG2 H 0.954 0.030 1 1193 106 106 VAL C C 177.055 0.300 1 1194 106 106 VAL CA C 62.138 0.300 1 1195 106 106 VAL CB C 33.378 0.300 1 1196 106 106 VAL CG1 C 21.934 0.300 2 1197 106 106 VAL CG2 C 22.502 0.300 2 1198 106 106 VAL N N 121.348 0.300 1 1199 107 107 VAL H H 9.450 0.030 1 1200 107 107 VAL HA H 4.597 0.030 1 1201 107 107 VAL HB H 1.997 0.030 1 1202 107 107 VAL HG1 H 1.082 0.030 1 1203 107 107 VAL HG2 H 1.018 0.030 1 1204 107 107 VAL C C 173.457 0.300 1 1205 107 107 VAL CA C 60.309 0.300 1 1206 107 107 VAL CB C 34.957 0.300 1 1207 107 107 VAL CG1 C 21.816 0.300 1 1208 107 107 VAL CG2 C 20.430 0.300 1 1209 107 107 VAL N N 126.446 0.300 1 1210 108 108 SER H H 8.418 0.030 1 1211 108 108 SER HA H 5.606 0.030 1 1212 108 108 SER HB2 H 3.743 0.030 2 1213 108 108 SER HB3 H 3.662 0.030 2 1214 108 108 SER C C 173.809 0.300 1 1215 108 108 SER CA C 56.755 0.300 1 1216 108 108 SER CB C 64.707 0.300 1 1217 108 108 SER N N 121.805 0.300 1 1218 109 109 VAL H H 9.446 0.030 1 1219 109 109 VAL HA H 4.445 0.030 1 1220 109 109 VAL HB H 2.298 0.030 1 1221 109 109 VAL HG1 H 1.093 0.030 1 1222 109 109 VAL HG2 H 1.134 0.030 1 1223 109 109 VAL C C 171.944 0.300 1 1224 109 109 VAL CA C 60.613 0.300 1 1225 109 109 VAL CB C 34.180 0.300 1 1226 109 109 VAL CG1 C 21.797 0.300 1 1227 109 109 VAL CG2 C 20.165 0.300 1 1228 109 109 VAL N N 125.554 0.300 1 1229 110 110 ALA H H 8.393 0.030 1 1230 110 110 ALA HA H 5.962 0.030 1 1231 110 110 ALA HB H 1.181 0.030 1 1232 110 110 ALA C C 178.869 0.300 1 1233 110 110 ALA CA C 49.241 0.300 1 1234 110 110 ALA CB C 20.624 0.300 1 1235 110 110 ALA N N 129.950 0.300 1 1236 111 111 THR H H 8.692 0.030 1 1237 111 111 THR HA H 4.308 0.030 1 1238 111 111 THR HB H 4.772 0.030 1 1239 111 111 THR HG1 H 6.936 0.030 1 1240 111 111 THR HG2 H 1.219 0.030 1 1241 111 111 THR C C 176.561 0.300 1 1242 111 111 THR CA C 60.947 0.300 1 1243 111 111 THR CB C 70.421 0.300 1 1244 111 111 THR CG2 C 24.608 0.300 1 1245 111 111 THR N N 110.363 0.300 1 1246 112 112 THR H H 7.289 0.030 1 1247 112 112 THR HA H 4.359 0.030 1 1248 112 112 THR HB H 4.584 0.030 1 1249 112 112 THR HG2 H 1.158 0.030 1 1250 112 112 THR C C 174.797 0.300 1 1251 112 112 THR CA C 61.308 0.300 1 1252 112 112 THR CB C 69.919 0.300 1 1253 112 112 THR CG2 C 21.805 0.300 1 1254 112 112 THR N N 109.640 0.300 1 1255 113 113 ARG H H 8.157 0.030 1 1256 113 113 ARG HA H 4.401 0.030 1 1257 113 113 ARG HB2 H 1.830 0.030 1 1258 113 113 ARG HB3 H 1.830 0.030 1 1259 113 113 ARG HG2 H 1.699 0.030 2 1260 113 113 ARG HG3 H 1.609 0.030 2 1261 113 113 ARG HD2 H 3.180 0.030 1 1262 113 113 ARG HD3 H 3.180 0.030 1 1263 113 113 ARG C C 176.451 0.300 1 1264 113 113 ARG CA C 56.393 0.300 1 1265 113 113 ARG CB C 31.557 0.300 1 1266 113 113 ARG CG C 27.072 0.300 1 1267 113 113 ARG CD C 43.748 0.300 1 1268 113 113 ARG N N 116.099 0.300 1 1269 114 114 GLU H H 9.468 0.030 1 1270 114 114 GLU HA H 3.770 0.030 1 1271 114 114 GLU HB2 H 1.824 0.030 2 1272 114 114 GLU HB3 H 1.639 0.030 2 1273 114 114 GLU HG2 H 1.985 0.030 2 1274 114 114 GLU HG3 H 1.829 0.030 2 1275 114 114 GLU C C 175.846 0.300 1 1276 114 114 GLU CA C 57.186 0.300 1 1277 114 114 GLU CB C 29.798 0.300 1 1278 114 114 GLU CG C 36.058 0.300 1 1279 114 114 GLU N N 124.505 0.300 1 stop_ save_