data_19525 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Nt. GR-RBP1 RRM domain ; _BMRB_accession_number 19525 _BMRB_flat_file_name bmr19525.str _Entry_type original _Submission_date 2013-09-24 _Accession_date 2013-09-24 _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 Kahn F. . . 2 Boelens R. . . 3 Saqlan S. M. . 4 'van Ingen' Hugo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 479 "13C chemical shifts" 362 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-30 original author . stop_ _Original_release_date 2013-09-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of nucleic acid binding by Nicotiana tabacum glycine-rich RNA binding protein: implications for its RNA chaperone function' _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 Kahn F. . . 2 Boelens R. . . 3 Saqlan S. M. . 4 'van Ingen' Hugo . . stop_ _Journal_abbreviation 'To be published' _Journal_name_full 'To be published' _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 'Solution structure of the Nt. GR-RBP1 RRM domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA-BINDING GLYCINE-RICH PROTEIN' $RNA-BINDING_GLYCINE-RICH_PROTEIN stop_ _System_molecular_weight 9522.4633 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA-BINDING_GLYCINE-RICH_PROTEIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNA-BINDING_GLYCINE-RICH_PROTEIN _Molecular_mass 9522.4633 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; GMAEVEYRCFVGGLAWATTD QTLGEAFSQFGEILDSKIIN DRETGRSRGFGFVTFKDEKA MRDAIEGMNGQDLDGRNITV NEAQSR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 MET 3 ALA 4 GLU 5 VAL 6 GLU 7 TYR 8 ARG 9 CYS 10 PHE 11 VAL 12 GLY 13 GLY 14 LEU 15 ALA 16 TRP 17 ALA 18 THR 19 THR 20 ASP 21 GLN 22 THR 23 LEU 24 GLY 25 GLU 26 ALA 27 PHE 28 SER 29 GLN 30 PHE 31 GLY 32 GLU 33 ILE 34 LEU 35 ASP 36 SER 37 LYS 38 ILE 39 ILE 40 ASN 41 ASP 42 ARG 43 GLU 44 THR 45 GLY 46 ARG 47 SER 48 ARG 49 GLY 50 PHE 51 GLY 52 PHE 53 VAL 54 THR 55 PHE 56 LYS 57 ASP 58 GLU 59 LYS 60 ALA 61 MET 62 ARG 63 ASP 64 ALA 65 ILE 66 GLU 67 GLY 68 MET 69 ASN 70 GLY 71 GLN 72 ASP 73 LEU 74 ASP 75 GLY 76 ARG 77 ASN 78 ILE 79 THR 80 VAL 81 ASN 82 GLU 83 ALA 84 GLN 85 SER 86 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-09 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 4C7Q "Solution Structure Of The Nt. Gr-rbp1 Rrm Domain" 100.00 86 100.00 100.00 2.82e-54 DBJ BAA03741 "RNA-binding glycine-rich protein-1a [Nicotiana sylvestris]" 98.84 156 100.00 100.00 1.34e-54 GB ABH07505 "glycine-rich RNA-binding protein [Nicotiana attenuata]" 98.84 152 97.65 98.82 2.11e-53 GB ADG03637 "RNA-binding glycine-rich protein [Nicotiana tabacum]" 98.84 156 100.00 100.00 1.34e-54 REF XP_009774643 "PREDICTED: glycine-rich RNA-binding protein-like [Nicotiana sylvestris]" 98.84 156 100.00 100.00 1.34e-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 $RNA-BINDING_GLYCINE-RICH_PROTEIN Tobacco 4097 Eukaryota . Nicotiana Tabacum stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $RNA-BINDING_GLYCINE-RICH_PROTEIN 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.4 mM RRM domain' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA-BINDING_GLYCINE-RICH_PROTEIN 0.4 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name ANALYSIS _Version any loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version any loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details 'RECOORD protocol' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [7.0], temp [298], pressure [1], ionStrength [150.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150.000 . mM pH 7.000 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 internal indirect . . . 0.251449519 DSS H 1 'methyl protons' ppm 0.0 internal indirect . . . 1 DSS N 15 'methyl protons' ppm 0.0 internal 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_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4c7q/ebi/ccpn-export-bmrb-renum-3.2.star.csh' loop_ _Experiment_label NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA-BINDING GLYCINE-RICH PROTEIN' _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 1 1 GLY HA2 H 3.845 0.001 1 2 1 1 GLY HA3 H 3.845 0.001 1 3 1 1 GLY CA C 43.507 0.01 1 4 2 2 MET HA H 4.478 0.006 1 5 2 2 MET HB2 H 2.098 0.009 2 6 2 2 MET HB3 H 2.012 0.009 2 7 2 2 MET HG2 H 2.579 0.004 2 8 2 2 MET HG3 H 2.612 0.009 2 9 2 2 MET HE H 1.691 0.001 1 10 2 2 MET CA C 55.682 0.034 1 11 2 2 MET CB C 33.139 0.047 1 12 2 2 MET CG C 31.833 0.067 1 13 2 2 MET CE C 16.144 0.01 1 14 3 3 ALA H H 8.473 0.002 1 15 3 3 ALA HA H 4.320 0.003 1 16 3 3 ALA HB H 1.393 0.009 1 17 3 3 ALA C C 177.472 0.01 1 18 3 3 ALA CA C 52.489 0.029 1 19 3 3 ALA CB C 19.288 0.037 1 20 3 3 ALA N N 125.300 0.018 1 21 4 4 GLU H H 8.375 0.003 1 22 4 4 GLU HA H 4.267 0.005 1 23 4 4 GLU HB2 H 1.912 0.02 2 24 4 4 GLU HB3 H 2.019 0.023 2 25 4 4 GLU HG2 H 2.272 0.009 2 26 4 4 GLU HG3 H 2.263 0.009 2 27 4 4 GLU C C 176.156 0.01 1 28 4 4 GLU CA C 56.597 0.071 1 29 4 4 GLU CB C 30.204 0.066 1 30 4 4 GLU CG C 36.351 0.069 1 31 4 4 GLU N N 120.541 0.009 1 32 5 5 VAL H H 8.053 0.001 1 33 5 5 VAL HA H 3.983 0.003 1 34 5 5 VAL HB H 1.875 0.004 1 35 5 5 VAL HG1 H 0.850 0.003 2 36 5 5 VAL HG2 H 0.694 0.005 2 37 5 5 VAL C C 174.469 0.01 1 38 5 5 VAL CA C 62.023 0.022 1 39 5 5 VAL CB C 33.057 0.055 1 40 5 5 VAL CG1 C 20.739 0.034 2 41 5 5 VAL CG2 C 21.232 0.044 2 42 5 5 VAL N N 121.276 0.026 1 43 6 6 GLU H H 8.002 0.001 1 44 6 6 GLU HA H 4.272 0.009 1 45 6 6 GLU HB2 H 1.749 0.004 1 46 6 6 GLU HB3 H 1.749 0.004 1 47 6 6 GLU HG2 H 2.075 0.003 2 48 6 6 GLU HG3 H 2.019 0.002 2 49 6 6 GLU C C 175.122 0.01 1 50 6 6 GLU CA C 54.662 0.028 1 51 6 6 GLU CB C 32.400 0.038 1 52 6 6 GLU CG C 36.233 0.032 1 53 6 6 GLU N N 123.138 0.013 1 54 7 7 TYR H H 8.575 0.003 1 55 7 7 TYR HA H 4.867 0.003 1 56 7 7 TYR HB2 H 2.929 0.008 2 57 7 7 TYR HB3 H 3.275 0.007 2 58 7 7 TYR HD1 H 6.977 0.001 3 59 7 7 TYR HD2 H 6.977 0.001 3 60 7 7 TYR HE1 H 6.807 0.001 3 61 7 7 TYR HE2 H 6.789 0.001 3 62 7 7 TYR C C 174.136 0.01 1 63 7 7 TYR CA C 57.380 0.035 1 64 7 7 TYR CB C 36.940 0.054 1 65 7 7 TYR CD1 C 132.560 0.01 3 66 7 7 TYR CD2 C 132.698 0.01 3 67 7 7 TYR CE1 C 118.303 0.01 3 68 7 7 TYR CE2 C 118.303 0.01 3 69 7 7 TYR N N 124.449 0.013 1 70 8 8 ARG H H 8.435 0.003 1 71 8 8 ARG HA H 5.458 0.003 1 72 8 8 ARG HB2 H 1.618 0.007 2 73 8 8 ARG HB3 H 1.801 0.006 2 74 8 8 ARG HG2 H 1.534 0.004 2 75 8 8 ARG HG3 H 1.489 0.007 2 76 8 8 ARG HD2 H 2.832 0.005 1 77 8 8 ARG HD3 H 2.832 0.005 1 78 8 8 ARG C C 175.466 0.01 1 79 8 8 ARG CA C 54.838 0.037 1 80 8 8 ARG CB C 34.469 0.066 1 81 8 8 ARG CG C 27.605 0.065 1 82 8 8 ARG CD C 43.489 0.018 1 83 8 8 ARG N N 124.695 0.013 1 84 9 9 CYS H H 9.646 0.004 1 85 9 9 CYS HA H 5.244 0.003 1 86 9 9 CYS HB2 H 2.742 0.011 2 87 9 9 CYS HB3 H 2.789 0.008 2 88 9 9 CYS C C 174.079 0.01 1 89 9 9 CYS CA C 57.497 0.031 1 90 9 9 CYS CB C 30.070 0.041 1 91 9 9 CYS N N 121.621 0.021 1 92 10 10 PHE H H 9.202 0.006 1 93 10 10 PHE HA H 4.678 0.006 1 94 10 10 PHE HB2 H 3.029 0.002 2 95 10 10 PHE HB3 H 2.959 0.003 2 96 10 10 PHE HD1 H 6.973 0.001 3 97 10 10 PHE HD2 H 6.967 0.001 3 98 10 10 PHE C C 173.448 0.01 1 99 10 10 PHE CA C 57.528 0.036 1 100 10 10 PHE CB C 40.643 0.042 1 101 10 10 PHE CD1 C 129.122 0.01 3 102 10 10 PHE CD2 C 129.122 0.01 3 103 10 10 PHE N N 125.674 0.015 1 104 11 11 VAL H H 8.030 0.009 1 105 11 11 VAL HA H 4.850 0.009 1 106 11 11 VAL HB H 1.442 0.003 1 107 11 11 VAL HG1 H 0.869 0.005 2 108 11 11 VAL HG2 H 0.500 0.003 2 109 11 11 VAL C C 173.767 0.01 1 110 11 11 VAL CA C 59.959 0.037 1 111 11 11 VAL CB C 32.977 0.044 1 112 11 11 VAL CG1 C 23.318 0.033 2 113 11 11 VAL CG2 C 21.241 0.028 2 114 11 11 VAL N N 127.666 0.02 1 115 12 12 GLY H H 9.055 0.005 1 116 12 12 GLY HA2 H 3.654 0.005 2 117 12 12 GLY HA3 H 4.721 0.01 2 118 12 12 GLY C C 173.753 0.01 1 119 12 12 GLY CA C 43.427 0.037 1 120 12 12 GLY N N 111.765 0.02 1 121 13 13 GLY H H 8.210 0.003 1 122 13 13 GLY HA2 H 4.198 0.002 2 123 13 13 GLY HA3 H 3.735 0.004 2 124 13 13 GLY C C 175.168 0.01 1 125 13 13 GLY CA C 46.001 0.042 1 126 13 13 GLY N N 107.061 0.011 1 127 14 14 LEU H H 7.591 0.005 1 128 14 14 LEU HA H 4.168 0.004 1 129 14 14 LEU HB2 H 1.069 0.005 2 130 14 14 LEU HB3 H 1.315 0.007 2 131 14 14 LEU HG H 1.255 0.008 1 132 14 14 LEU HD1 H 0.763 0.003 2 133 14 14 LEU HD2 H 0.417 0.005 2 134 14 14 LEU C C 178.690 0.01 1 135 14 14 LEU CA C 54.165 0.042 1 136 14 14 LEU CB C 43.538 0.045 1 137 14 14 LEU CG C 26.729 0.149 1 138 14 14 LEU CD1 C 24.058 0.046 2 139 14 14 LEU CD2 C 26.545 0.043 2 140 14 14 LEU N N 114.980 0.01 1 141 15 15 ALA H H 9.683 0.002 1 142 15 15 ALA HA H 4.078 0.005 1 143 15 15 ALA HB H 1.491 0.003 1 144 15 15 ALA C C 179.477 0.01 1 145 15 15 ALA CA C 51.547 0.036 1 146 15 15 ALA CB C 19.157 0.081 1 147 15 15 ALA N N 124.275 0.022 1 148 16 16 TRP H H 8.107 0.005 1 149 16 16 TRP HA H 4.412 0.005 1 150 16 16 TRP HB2 H 3.370 0.023 2 151 16 16 TRP HB3 H 3.326 0.032 2 152 16 16 TRP HD1 H 7.335 0.001 1 153 16 16 TRP HE1 H 10.198 0.001 1 154 16 16 TRP HE3 H 7.543 0.001 1 155 16 16 TRP HZ2 H 7.537 0.001 1 156 16 16 TRP HZ3 H 7.108 0.001 1 157 16 16 TRP HH2 H 7.260 0.001 1 158 16 16 TRP C C 177.006 0.01 1 159 16 16 TRP CA C 58.875 0.067 1 160 16 16 TRP CB C 28.661 0.058 1 161 16 16 TRP CD1 C 127.360 0.01 1 162 16 16 TRP CE3 C 120.841 0.01 1 163 16 16 TRP CZ2 C 114.753 0.01 1 164 16 16 TRP CZ3 C 122.266 0.01 1 165 16 16 TRP CH2 C 124.884 0.01 1 166 16 16 TRP N N 122.724 0.021 1 167 16 16 TRP NE1 N 129.251 0.01 1 168 17 17 ALA H H 7.474 0.002 1 169 17 17 ALA HA H 4.099 0.003 1 170 17 17 ALA HB H 1.178 0.004 1 171 17 17 ALA C C 178.136 0.01 1 172 17 17 ALA CA C 52.619 0.033 1 173 17 17 ALA CB C 19.252 0.024 1 174 17 17 ALA N N 115.943 0.02 1 175 18 18 THR H H 7.325 0.005 1 176 18 18 THR HA H 4.049 0.003 1 177 18 18 THR HB H 3.904 0.002 1 178 18 18 THR HG2 H 1.253 0.004 1 179 18 18 THR C C 174.168 0.01 1 180 18 18 THR CA C 65.136 0.02 1 181 18 18 THR CB C 68.355 0.023 1 182 18 18 THR CG2 C 23.531 0.03 1 183 18 18 THR N N 117.194 0.015 1 184 19 19 THR H H 7.997 0.003 1 185 19 19 THR HA H 4.749 0.005 1 186 19 19 THR HB H 4.773 0.006 1 187 19 19 THR HG2 H 1.345 0.004 1 188 19 19 THR C C 174.948 0.01 1 189 19 19 THR CA C 59.466 0.044 1 190 19 19 THR CB C 73.045 0.064 1 191 19 19 THR CG2 C 21.712 0.029 1 192 19 19 THR N N 117.853 0.018 1 193 20 20 ASP H H 8.819 0.005 1 194 20 20 ASP HA H 3.897 0.003 1 195 20 20 ASP HB2 H 2.665 0.008 2 196 20 20 ASP HB3 H 2.866 0.01 2 197 20 20 ASP C C 179.140 0.01 1 198 20 20 ASP CA C 57.851 0.026 1 199 20 20 ASP CB C 40.053 0.063 1 200 20 20 ASP N N 119.977 0.007 1 201 21 21 GLN H H 8.118 0.005 1 202 21 21 GLN HA H 4.121 0.005 1 203 21 21 GLN HB2 H 1.994 0.004 2 204 21 21 GLN HB3 H 2.173 0.007 2 205 21 21 GLN HG2 H 2.403 0.001 1 206 21 21 GLN HG3 H 2.403 0.001 1 207 21 21 GLN HE21 H 7.786 0.001 1 208 21 21 GLN HE22 H 6.890 0.001 1 209 21 21 GLN C C 178.642 0.01 1 210 21 21 GLN CA C 59.043 0.024 1 211 21 21 GLN CB C 28.330 0.093 1 212 21 21 GLN CG C 33.696 0.018 1 213 21 21 GLN CD C 180.247 0.001 1 214 21 21 GLN N N 118.555 0.019 1 215 21 21 GLN NE2 N 112.915 0.011 1 216 22 22 THR H H 8.112 0.002 1 217 22 22 THR HA H 4.110 0.001 1 218 22 22 THR HB H 4.436 0.003 1 219 22 22 THR HG2 H 1.339 0.003 1 220 22 22 THR C C 177.920 0.01 1 221 22 22 THR CA C 65.733 0.036 1 222 22 22 THR CB C 68.000 0.033 1 223 22 22 THR CG2 C 22.764 0.031 1 224 22 22 THR N N 116.067 0.018 1 225 23 23 LEU H H 8.484 0.002 1 226 23 23 LEU HA H 4.093 0.005 1 227 23 23 LEU HB2 H 1.273 0.01 2 228 23 23 LEU HB3 H 1.744 0.009 2 229 23 23 LEU HG H 1.194 0.006 1 230 23 23 LEU HD1 H 0.678 0.005 2 231 23 23 LEU HD2 H 0.432 0.003 2 232 23 23 LEU C C 178.096 0.01 1 233 23 23 LEU CA C 58.445 0.055 1 234 23 23 LEU CB C 42.299 0.036 1 235 23 23 LEU CG C 26.290 0.065 1 236 23 23 LEU CD1 C 25.613 0.047 2 237 23 23 LEU CD2 C 24.603 0.066 2 238 23 23 LEU N N 123.941 0.015 1 239 24 24 GLY H H 7.779 0.007 1 240 24 24 GLY HA2 H 4.023 0.004 2 241 24 24 GLY HA3 H 3.621 0.005 2 242 24 24 GLY C C 176.705 0.01 1 243 24 24 GLY CA C 47.692 0.035 1 244 24 24 GLY N N 104.724 0.017 1 245 25 25 GLU H H 8.334 0.005 1 246 25 25 GLU HA H 4.045 0.006 1 247 25 25 GLU HB2 H 2.062 0.006 2 248 25 25 GLU HB3 H 2.151 0.01 2 249 25 25 GLU HG2 H 2.458 0.004 2 250 25 25 GLU HG3 H 2.311 0.005 2 251 25 25 GLU C C 179.898 0.01 1 252 25 25 GLU CA C 59.504 0.019 1 253 25 25 GLU CB C 29.577 0.05 1 254 25 25 GLU CG C 36.577 0.014 1 255 25 25 GLU N N 120.962 0.016 1 256 26 26 ALA H H 7.939 0.008 1 257 26 26 ALA HA H 4.284 0.002 1 258 26 26 ALA HB H 1.624 0.003 1 259 26 26 ALA C C 179.100 0.01 1 260 26 26 ALA CA C 54.743 0.044 1 261 26 26 ALA CB C 18.897 0.053 1 262 26 26 ALA N N 121.172 0.01 1 263 27 27 PHE H H 7.994 0.007 1 264 27 27 PHE HA H 4.686 0.004 1 265 27 27 PHE HB2 H 3.106 0.003 2 266 27 27 PHE HB3 H 3.505 0.004 2 267 27 27 PHE HD1 H 7.798 0.01 3 268 27 27 PHE HD2 H 7.805 0.002 3 269 27 27 PHE HE1 H 7.067 0.001 3 270 27 27 PHE HE2 H 7.064 0.001 3 271 27 27 PHE HZ H 7.465 0.001 1 272 27 27 PHE C C 177.238 0.01 1 273 27 27 PHE CA C 60.745 0.071 1 274 27 27 PHE CB C 40.256 0.035 1 275 27 27 PHE CD1 C 131.811 0.01 3 276 27 27 PHE CD2 C 131.754 0.01 3 277 27 27 PHE CE1 C 131.125 0.01 3 278 27 27 PHE CE2 C 131.125 0.01 3 279 27 27 PHE CZ C 129.621 0.01 1 280 27 27 PHE N N 114.485 0.01 1 281 28 28 SER H H 8.288 0.006 1 282 28 28 SER HA H 4.708 0.004 1 283 28 28 SER HB2 H 4.130 0.006 2 284 28 28 SER HB3 H 4.186 0.006 2 285 28 28 SER C C 175.620 0.01 1 286 28 28 SER CA C 61.480 0.033 1 287 28 28 SER CB C 63.092 0.069 1 288 28 28 SER N N 117.318 0.018 1 289 29 29 GLN H H 7.585 0.001 1 290 29 29 GLN HA H 4.092 0.004 1 291 29 29 GLN HB2 H 1.637 0.001 2 292 29 29 GLN HB3 H 1.678 0.002 2 293 29 29 GLN HG2 H 0.972 0.005 2 294 29 29 GLN HG3 H 1.684 0.005 2 295 29 29 GLN HE21 H 7.378 0.001 1 296 29 29 GLN HE22 H 6.851 0.002 1 297 29 29 GLN C C 176.393 0.01 1 298 29 29 GLN CA C 57.265 0.052 1 299 29 29 GLN CB C 28.274 0.054 1 300 29 29 GLN CG C 32.636 0.024 1 301 29 29 GLN CD C 180.086 0.001 1 302 29 29 GLN N N 118.153 0.013 1 303 29 29 GLN NE2 N 113.194 0.018 1 304 30 30 PHE H H 7.683 0.006 1 305 30 30 PHE HA H 4.451 0.006 1 306 30 30 PHE HB2 H 2.925 0.007 2 307 30 30 PHE HB3 H 3.406 0.005 2 308 30 30 PHE HD1 H 7.501 0.001 3 309 30 30 PHE HD2 H 7.501 0.001 3 310 30 30 PHE C C 174.773 0.01 1 311 30 30 PHE CA C 59.526 0.057 1 312 30 30 PHE CB C 39.575 0.058 1 313 30 30 PHE CD1 C 131.737 0.01 3 314 30 30 PHE CD2 C 131.735 0.01 3 315 30 30 PHE N N 116.522 0.017 1 316 31 31 GLY H H 7.458 0.005 1 317 31 31 GLY HA2 H 4.435 0.004 2 318 31 31 GLY HA3 H 3.959 0.007 2 319 31 31 GLY C C 170.618 0.01 1 320 31 31 GLY CA C 44.592 0.032 1 321 31 31 GLY N N 105.157 0.009 1 322 32 32 GLU H H 8.186 0.005 1 323 32 32 GLU HA H 4.227 0.007 1 324 32 32 GLU HB2 H 1.919 0.007 2 325 32 32 GLU HB3 H 2.053 0.001 2 326 32 32 GLU HG2 H 2.376 0.007 2 327 32 32 GLU HG3 H 2.377 0.007 2 328 32 32 GLU C C 176.583 0.01 1 329 32 32 GLU CA C 57.535 0.052 1 330 32 32 GLU CB C 30.373 0.079 1 331 32 32 GLU CG C 36.281 0.058 1 332 32 32 GLU N N 117.248 0.005 1 333 33 33 ILE H H 8.641 0.002 1 334 33 33 ILE HA H 4.239 0.005 1 335 33 33 ILE HB H 1.766 0.004 1 336 33 33 ILE HG12 H 1.541 0.006 2 337 33 33 ILE HG13 H 0.912 0.007 2 338 33 33 ILE HG2 H 0.552 0.002 1 339 33 33 ILE HD1 H 0.568 0.005 1 340 33 33 ILE C C 176.897 0.01 1 341 33 33 ILE CA C 59.581 0.068 1 342 33 33 ILE CB C 39.093 0.057 1 343 33 33 ILE CG1 C 27.008 0.076 1 344 33 33 ILE CG2 C 17.847 0.07 1 345 33 33 ILE CD1 C 13.448 0.045 1 346 33 33 ILE N N 125.997 0.025 1 347 34 34 LEU H H 8.916 0.005 1 348 34 34 LEU HA H 4.366 0.003 1 349 34 34 LEU HB2 H 1.336 0.007 2 350 34 34 LEU HB3 H 1.512 0.005 2 351 34 34 LEU HG H 1.410 0.003 1 352 34 34 LEU HD1 H 0.919 0.005 2 353 34 34 LEU HD2 H 0.864 0.004 2 354 34 34 LEU C C 176.848 0.01 1 355 34 34 LEU CA C 55.556 0.069 1 356 34 34 LEU CB C 42.702 0.061 1 357 34 34 LEU CG C 27.255 0.079 1 358 34 34 LEU CD1 C 22.908 0.068 2 359 34 34 LEU CD2 C 25.585 0.093 2 360 34 34 LEU N N 126.303 0.019 1 361 35 35 ASP H H 7.385 0.006 1 362 35 35 ASP HA H 4.712 0.004 1 363 35 35 ASP HB2 H 2.393 0.004 2 364 35 35 ASP HB3 H 2.659 0.006 2 365 35 35 ASP C C 173.520 0.01 1 366 35 35 ASP CA C 53.945 0.059 1 367 35 35 ASP CB C 44.038 0.037 1 368 35 35 ASP N N 115.725 0.008 1 369 36 36 SER H H 8.066 0.004 1 370 36 36 SER HA H 4.885 0.001 1 371 36 36 SER HB2 H 3.529 0.001 2 372 36 36 SER HB3 H 3.605 0.002 2 373 36 36 SER C C 172.724 0.01 1 374 36 36 SER CA C 57.233 0.019 1 375 36 36 SER CB C 64.548 0.011 1 376 36 36 SER N N 117.009 0.012 1 377 37 37 LYS H H 8.402 0.006 1 378 37 37 LYS HA H 4.701 0.007 1 379 37 37 LYS HB2 H 1.577 0.016 2 380 37 37 LYS HB3 H 1.641 0.014 2 381 37 37 LYS HG2 H 1.310 0.002 2 382 37 37 LYS HG3 H 1.340 0.006 2 383 37 37 LYS HD2 H 1.752 0.006 2 384 37 37 LYS HD3 H 1.706 0.005 2 385 37 37 LYS HE2 H 3.016 0.004 1 386 37 37 LYS HE3 H 3.016 0.004 1 387 37 37 LYS C C 174.221 0.01 1 388 37 37 LYS CA C 54.415 0.054 1 389 37 37 LYS CB C 36.641 0.054 1 390 37 37 LYS CG C 23.892 0.052 1 391 37 37 LYS CD C 28.853 0.04 1 392 37 37 LYS CE C 41.986 0.044 1 393 37 37 LYS N N 123.535 0.008 1 394 38 38 ILE H H 8.514 0.005 1 395 38 38 ILE HA H 4.078 0.008 1 396 38 38 ILE HB H 1.785 0.004 1 397 38 38 ILE HG12 H 1.033 0.003 2 398 38 38 ILE HG13 H 1.317 0.005 2 399 38 38 ILE HG2 H 0.723 0.005 1 400 38 38 ILE HD1 H 0.476 0.003 1 401 38 38 ILE C C 176.047 0.01 1 402 38 38 ILE CA C 59.365 0.038 1 403 38 38 ILE CB C 38.071 0.054 1 404 38 38 ILE CG1 C 27.523 0.043 1 405 38 38 ILE CG2 C 17.456 0.044 1 406 38 38 ILE CD1 C 12.571 0.022 1 407 38 38 ILE N N 123.485 0.029 1 408 39 39 ILE H H 8.332 0.005 1 409 39 39 ILE HA H 4.043 0.003 1 410 39 39 ILE HB H 1.087 0.004 1 411 39 39 ILE HG12 H 1.480 0.003 2 412 39 39 ILE HG13 H 1.357 0.005 2 413 39 39 ILE HG2 H 0.805 0.004 1 414 39 39 ILE HD1 H 0.826 0.008 1 415 39 39 ILE C C 173.993 0.01 1 416 39 39 ILE CA C 58.826 0.059 1 417 39 39 ILE CB C 34.370 0.049 1 418 39 39 ILE CG1 C 27.332 0.034 1 419 39 39 ILE CG2 C 17.814 0.059 1 420 39 39 ILE CD1 C 9.164 0.049 1 421 39 39 ILE N N 127.310 0.02 1 422 40 40 ASN H H 8.292 0.003 1 423 40 40 ASN HA H 5.126 0.004 1 424 40 40 ASN HB2 H 2.193 0.005 2 425 40 40 ASN HB3 H 2.413 0.007 2 426 40 40 ASN HD21 H 6.477 0.003 1 427 40 40 ASN HD22 H 7.060 0.001 1 428 40 40 ASN C C 175.622 0.01 1 429 40 40 ASN CA C 51.458 0.031 1 430 40 40 ASN CB C 40.995 0.033 1 431 40 40 ASN CG C 174.704 0.003 1 432 40 40 ASN N N 124.118 0.011 1 433 40 40 ASN ND2 N 110.346 0.031 1 434 41 41 ASP H H 8.906 0.004 1 435 41 41 ASP HA H 4.513 0.005 1 436 41 41 ASP HB2 H 2.523 0.003 2 437 41 41 ASP HB3 H 3.012 0.005 2 438 41 41 ASP C C 177.461 0.01 1 439 41 41 ASP CA C 54.139 0.048 1 440 41 41 ASP CB C 42.875 0.023 1 441 41 41 ASP N N 122.643 0.028 1 442 42 42 ARG H H 9.006 0.001 1 443 42 42 ARG HA H 4.048 0.005 1 444 42 42 ARG HB2 H 1.923 0.002 1 445 42 42 ARG HB3 H 1.923 0.002 1 446 42 42 ARG HG2 H 1.716 0.006 1 447 42 42 ARG HG3 H 1.716 0.006 1 448 42 42 ARG HD2 H 3.252 0.004 1 449 42 42 ARG HD3 H 3.252 0.004 1 450 42 42 ARG C C 177.426 0.01 1 451 42 42 ARG CA C 58.669 0.054 1 452 42 42 ARG CB C 30.217 0.055 1 453 42 42 ARG CG C 27.189 0.049 1 454 42 42 ARG CD C 43.270 0.028 1 455 42 42 ARG N N 127.644 0.02 1 456 43 43 GLU H H 8.599 0.004 1 457 43 43 GLU HA H 4.275 0.003 1 458 43 43 GLU HB2 H 2.155 0.002 2 459 43 43 GLU HB3 H 2.123 0.001 2 460 43 43 GLU HG2 H 2.318 0.006 2 461 43 43 GLU HG3 H 2.242 0.005 2 462 43 43 GLU C C 178.375 0.01 1 463 43 43 GLU CA C 58.507 0.046 1 464 43 43 GLU CB C 30.230 0.034 1 465 43 43 GLU CG C 36.650 0.063 1 466 43 43 GLU N N 117.753 0.003 1 467 44 44 THR H H 8.140 0.004 1 468 44 44 THR HA H 4.396 0.008 1 469 44 44 THR HB H 4.304 0.004 1 470 44 44 THR HG2 H 1.213 0.004 1 471 44 44 THR C C 176.672 0.01 1 472 44 44 THR CA C 61.862 0.056 1 473 44 44 THR CB C 71.054 0.034 1 474 44 44 THR CG2 C 21.180 0.05 1 475 44 44 THR N N 107.088 0.008 1 476 45 45 GLY H H 8.253 0.005 1 477 45 45 GLY HA2 H 4.151 0.001 2 478 45 45 GLY HA3 H 3.777 0.001 2 479 45 45 GLY C C 173.625 0.01 1 480 45 45 GLY CA C 45.760 0.039 1 481 45 45 GLY N N 111.038 0.008 1 482 46 46 ARG H H 7.720 0.005 1 483 46 46 ARG HA H 4.310 0.005 1 484 46 46 ARG HB2 H 1.619 0.005 2 485 46 46 ARG HB3 H 1.780 0.006 2 486 46 46 ARG HG2 H 1.575 0.002 1 487 46 46 ARG HG3 H 1.575 0.002 1 488 46 46 ARG HD2 H 2.990 0.004 1 489 46 46 ARG HD3 H 2.990 0.004 1 490 46 46 ARG C C 175.931 0.01 1 491 46 46 ARG CA C 55.502 0.055 1 492 46 46 ARG CB C 31.836 0.071 1 493 46 46 ARG CG C 27.312 0.064 1 494 46 46 ARG CD C 43.267 0.042 1 495 46 46 ARG N N 119.437 0.014 1 496 47 47 SER H H 8.528 0.003 1 497 47 47 SER HA H 4.572 0.004 1 498 47 47 SER HB2 H 3.868 0.005 2 499 47 47 SER HB3 H 4.159 0.005 2 500 47 47 SER C C 177.040 0.01 1 501 47 47 SER CA C 58.399 0.08 1 502 47 47 SER CB C 64.626 0.034 1 503 47 47 SER N N 116.716 0.018 1 504 48 48 ARG H H 9.233 0.003 1 505 48 48 ARG HA H 4.465 0.009 1 506 48 48 ARG HB2 H 1.253 0.012 2 507 48 48 ARG HB3 H 2.237 0.01 2 508 48 48 ARG HG2 H 1.665 0.006 1 509 48 48 ARG HG3 H 1.665 0.006 1 510 48 48 ARG HD2 H 3.064 0.011 2 511 48 48 ARG HD3 H 3.248 0.008 2 512 48 48 ARG C C 177.659 0.01 1 513 48 48 ARG CA C 56.458 0.037 1 514 48 48 ARG CB C 30.727 0.092 1 515 48 48 ARG CG C 27.881 0.053 1 516 48 48 ARG CD C 43.625 0.045 1 517 48 48 ARG N N 124.042 0.031 1 518 49 49 GLY H H 9.363 0.003 1 519 49 49 GLY HA2 H 3.379 0.003 2 520 49 49 GLY HA3 H 4.174 0.004 2 521 49 49 GLY C C 172.006 0.01 1 522 49 49 GLY CA C 45.864 0.03 1 523 49 49 GLY N N 107.937 0.019 1 524 50 50 PHE H H 7.175 0.007 1 525 50 50 PHE HA H 5.294 0.004 1 526 50 50 PHE HB2 H 2.949 0.004 2 527 50 50 PHE HB3 H 3.205 0.005 2 528 50 50 PHE HD1 H 6.893 0.001 3 529 50 50 PHE HD2 H 6.893 0.001 3 530 50 50 PHE HE1 H 7.381 0.001 3 531 50 50 PHE HE2 H 7.382 0.001 3 532 50 50 PHE C C 172.407 0.01 1 533 50 50 PHE CA C 54.864 0.042 1 534 50 50 PHE CB C 41.711 0.043 1 535 50 50 PHE CD1 C 132.874 0.01 3 536 50 50 PHE CD2 C 132.874 0.01 3 537 50 50 PHE CE1 C 131.752 0.01 3 538 50 50 PHE CE2 C 131.752 0.01 3 539 50 50 PHE N N 113.110 0.024 1 540 51 51 GLY H H 8.858 0.006 1 541 51 51 GLY HA2 H 4.167 0.002 2 542 51 51 GLY HA3 H 3.875 0.002 2 543 51 51 GLY C C 169.877 0.01 1 544 51 51 GLY CA C 45.533 0.032 1 545 51 51 GLY N N 106.174 0.018 1 546 52 52 PHE H H 8.684 0.006 1 547 52 52 PHE HA H 5.759 0.004 1 548 52 52 PHE HB2 H 2.634 0.003 2 549 52 52 PHE HB3 H 2.819 0.005 2 550 52 52 PHE HD1 H 7.060 0.001 3 551 52 52 PHE HD2 H 7.060 0.001 3 552 52 52 PHE C C 175.340 0.01 1 553 52 52 PHE CA C 56.124 0.037 1 554 52 52 PHE CB C 44.454 0.031 1 555 52 52 PHE CD1 C 131.791 0.01 3 556 52 52 PHE CD2 C 131.800 0.01 3 557 52 52 PHE N N 113.588 0.017 1 558 53 53 VAL H H 8.445 0.005 1 559 53 53 VAL HA H 4.375 0.005 1 560 53 53 VAL HB H 1.242 0.003 1 561 53 53 VAL HG1 H 0.238 0.003 2 562 53 53 VAL HG2 H 0.085 0.003 2 563 53 53 VAL C C 174.177 0.01 1 564 53 53 VAL CA C 61.178 0.067 1 565 53 53 VAL CB C 34.880 0.048 1 566 53 53 VAL CG1 C 22.098 0.037 2 567 53 53 VAL CG2 C 20.449 0.033 2 568 53 53 VAL N N 121.034 0.015 1 569 54 54 THR H H 8.836 0.004 1 570 54 54 THR HA H 4.996 0.003 1 571 54 54 THR HB H 3.877 0.004 1 572 54 54 THR HG2 H 1.210 0.005 1 573 54 54 THR C C 173.641 0.01 1 574 54 54 THR CA C 61.663 0.035 1 575 54 54 THR CB C 69.398 0.059 1 576 54 54 THR CG2 C 22.935 0.063 1 577 54 54 THR N N 122.871 0.018 1 578 55 55 PHE H H 9.328 0.005 1 579 55 55 PHE HA H 5.033 0.003 1 580 55 55 PHE HB2 H 2.890 0.002 2 581 55 55 PHE HB3 H 3.675 0.005 2 582 55 55 PHE HD1 H 7.149 0.001 3 583 55 55 PHE HD2 H 7.151 0.001 3 584 55 55 PHE HE1 H 7.295 0.001 3 585 55 55 PHE HE2 H 7.307 0.001 3 586 55 55 PHE C C 173.872 0.01 1 587 55 55 PHE CA C 57.876 0.057 1 588 55 55 PHE CB C 42.660 0.042 1 589 55 55 PHE CD1 C 131.882 0.01 3 590 55 55 PHE CD2 C 131.850 0.01 3 591 55 55 PHE CE1 C 131.651 0.01 3 592 55 55 PHE CE2 C 131.653 0.01 3 593 55 55 PHE N N 126.352 0.011 1 594 56 56 LYS H H 8.481 0.005 1 595 56 56 LYS HA H 4.390 0.005 1 596 56 56 LYS HB2 H 1.717 0.006 2 597 56 56 LYS HB3 H 2.076 0.005 2 598 56 56 LYS HG2 H 1.536 0.004 2 599 56 56 LYS HG3 H 1.604 0.004 2 600 56 56 LYS HD2 H 1.755 0.006 2 601 56 56 LYS HD3 H 1.720 0.005 2 602 56 56 LYS HE2 H 3.050 0.006 2 603 56 56 LYS HE3 H 3.003 0.002 2 604 56 56 LYS C C 175.902 0.01 1 605 56 56 LYS CA C 58.245 0.04 1 606 56 56 LYS CB C 34.094 0.062 1 607 56 56 LYS CG C 25.361 0.053 1 608 56 56 LYS CD C 29.508 0.053 1 609 56 56 LYS CE C 42.145 0.048 1 610 56 56 LYS N N 119.454 0.03 1 611 57 57 ASP H H 8.222 0.002 1 612 57 57 ASP HA H 4.785 0.006 1 613 57 57 ASP HB2 H 2.657 0.003 1 614 57 57 ASP HB3 H 2.657 0.002 1 615 57 57 ASP C C 174.229 0.01 1 616 57 57 ASP CA C 52.536 0.069 1 617 57 57 ASP CB C 44.442 0.036 1 618 57 57 ASP N N 115.733 0.01 1 619 58 58 GLU H H 7.878 0.004 1 620 58 58 GLU HA H 2.905 0.004 1 621 58 58 GLU HB2 H 1.283 0.004 2 622 58 58 GLU HB3 H 1.563 0.004 2 623 58 58 GLU HG2 H 2.036 0.005 1 624 58 58 GLU HG3 H 2.036 0.005 1 625 58 58 GLU C C 177.646 0.01 1 626 58 58 GLU CA C 59.184 0.03 1 627 58 58 GLU CB C 29.622 0.034 1 628 58 58 GLU CG C 36.134 0.056 1 629 58 58 GLU N N 123.552 0.012 1 630 59 59 LYS H H 8.155 0.003 1 631 59 59 LYS HA H 3.765 0.006 1 632 59 59 LYS HB2 H 1.768 0.004 2 633 59 59 LYS HB3 H 1.776 0.013 2 634 59 59 LYS HG2 H 1.391 0.004 1 635 59 59 LYS HG3 H 1.391 0.004 1 636 59 59 LYS HD2 H 1.589 0.013 1 637 59 59 LYS HD3 H 1.589 0.013 1 638 59 59 LYS HE2 H 3.037 0.005 1 639 59 59 LYS HE3 H 3.037 0.005 1 640 59 59 LYS C C 177.470 0.01 1 641 59 59 LYS CA C 59.209 0.038 1 642 59 59 LYS CB C 32.029 0.027 1 643 59 59 LYS CG C 24.711 0.04 1 644 59 59 LYS CD C 28.784 0.043 1 645 59 59 LYS CE C 42.370 0.02 1 646 59 59 LYS N N 118.681 0.028 1 647 60 60 ALA H H 7.152 0.008 1 648 60 60 ALA HA H 3.840 0.006 1 649 60 60 ALA HB H 1.325 0.004 1 650 60 60 ALA C C 177.859 0.01 1 651 60 60 ALA CA C 55.137 0.044 1 652 60 60 ALA CB C 20.282 0.023 1 653 60 60 ALA N N 120.064 0.008 1 654 61 61 MET H H 6.549 0.006 1 655 61 61 MET HA H 3.032 0.003 1 656 61 61 MET HB2 H 1.808 0.014 2 657 61 61 MET HB3 H 2.317 0.008 2 658 61 61 MET HG2 H 2.558 0.005 2 659 61 61 MET HG3 H 2.175 0.006 2 660 61 61 MET HE H 2.136 0.001 1 661 61 61 MET C C 177.462 0.01 1 662 61 61 MET CA C 58.806 0.022 1 663 61 61 MET CB C 32.144 0.046 1 664 61 61 MET CG C 31.470 0.058 1 665 61 61 MET CE C 16.893 0.01 1 666 61 61 MET N N 114.818 0.011 1 667 62 62 ARG H H 8.267 0.004 1 668 62 62 ARG HA H 3.813 0.004 1 669 62 62 ARG HB2 H 1.823 0.002 2 670 62 62 ARG HB3 H 1.955 0.004 2 671 62 62 ARG HG2 H 1.621 0.004 2 672 62 62 ARG HG3 H 1.832 0.004 2 673 62 62 ARG HD2 H 3.119 0.005 1 674 62 62 ARG HD3 H 3.119 0.005 1 675 62 62 ARG C C 179.615 0.01 1 676 62 62 ARG CA C 59.438 0.052 1 677 62 62 ARG CB C 28.615 0.057 1 678 62 62 ARG CG C 27.738 0.063 1 679 62 62 ARG CD C 42.866 0.086 1 680 62 62 ARG N N 117.736 0.033 1 681 63 63 ASP H H 8.831 0.004 1 682 63 63 ASP HA H 4.234 0.004 1 683 63 63 ASP HB2 H 2.685 0.006 2 684 63 63 ASP HB3 H 2.845 0.008 2 685 63 63 ASP C C 178.720 0.01 1 686 63 63 ASP CA C 56.867 0.037 1 687 63 63 ASP CB C 39.580 0.043 1 688 63 63 ASP N N 121.418 0.022 1 689 64 64 ALA H H 8.060 0.005 1 690 64 64 ALA HA H 2.078 0.004 1 691 64 64 ALA HB H 1.307 0.008 1 692 64 64 ALA C C 179.159 0.01 1 693 64 64 ALA CA C 54.204 0.035 1 694 64 64 ALA CB C 20.166 0.031 1 695 64 64 ALA N N 125.406 0.024 1 696 65 65 ILE H H 7.954 0.004 1 697 65 65 ILE HA H 3.377 0.005 1 698 65 65 ILE HB H 1.785 0.004 1 699 65 65 ILE HG12 H 0.628 0.008 2 700 65 65 ILE HG13 H 1.985 0.008 2 701 65 65 ILE HG2 H 0.981 0.003 1 702 65 65 ILE HD1 H 0.932 0.007 1 703 65 65 ILE C C 178.032 0.01 1 704 65 65 ILE CA C 66.014 0.04 1 705 65 65 ILE CB C 38.820 0.056 1 706 65 65 ILE CG1 C 30.650 0.058 1 707 65 65 ILE CG2 C 17.231 0.05 1 708 65 65 ILE CD1 C 15.160 0.07 1 709 65 65 ILE N N 118.842 0.016 1 710 66 66 GLU H H 7.535 0.006 1 711 66 66 GLU HA H 4.021 0.004 1 712 66 66 GLU HB2 H 2.001 0.002 1 713 66 66 GLU HB3 H 2.001 0.002 1 714 66 66 GLU HG2 H 2.291 0.004 2 715 66 66 GLU HG3 H 2.342 0.004 2 716 66 66 GLU C C 179.342 0.01 1 717 66 66 GLU CA C 58.645 0.046 1 718 66 66 GLU CB C 29.888 0.058 1 719 66 66 GLU CG C 36.078 0.055 1 720 66 66 GLU N N 116.426 0.008 1 721 67 67 GLY H H 8.281 0.006 1 722 67 67 GLY HA2 H 4.060 0.006 2 723 67 67 GLY HA3 H 3.472 0.004 2 724 67 67 GLY C C 174.943 0.01 1 725 67 67 GLY CA C 46.055 0.031 1 726 67 67 GLY N N 104.513 0.016 1 727 68 68 MET H H 8.028 0.005 1 728 68 68 MET HA H 4.915 0.003 1 729 68 68 MET HB2 H 1.818 0.003 2 730 68 68 MET HB3 H 1.962 0.006 2 731 68 68 MET HG2 H 1.627 0.002 2 732 68 68 MET HG3 H 2.069 0.002 2 733 68 68 MET HE H 2.105 0.001 1 734 68 68 MET C C 177.312 0.01 1 735 68 68 MET CA C 53.414 0.043 1 736 68 68 MET CB C 33.565 0.051 1 737 68 68 MET CG C 32.966 0.075 1 738 68 68 MET CE C 16.940 0.01 1 739 68 68 MET N N 114.841 0.011 1 740 69 69 ASN H H 7.589 0.005 1 741 69 69 ASN HA H 4.406 0.005 1 742 69 69 ASN HB2 H 2.990 0.007 2 743 69 69 ASN HB3 H 3.312 0.004 2 744 69 69 ASN HD21 H 7.091 0.002 1 745 69 69 ASN HD22 H 7.866 0.002 1 746 69 69 ASN C C 176.819 0.01 1 747 69 69 ASN CA C 57.176 0.04 1 748 69 69 ASN CB C 38.915 0.057 1 749 69 69 ASN CG C 177.078 0.006 1 750 69 69 ASN N N 116.830 0.012 1 751 69 69 ASN ND2 N 115.460 0.016 1 752 70 70 GLY H H 9.147 0.004 1 753 70 70 GLY HA2 H 3.875 0.003 2 754 70 70 GLY HA3 H 4.192 0.003 2 755 70 70 GLY C C 174.410 0.01 1 756 70 70 GLY CA C 46.053 0.034 1 757 70 70 GLY N N 117.454 0.012 1 758 71 71 GLN H H 7.789 0.005 1 759 71 71 GLN HA H 4.370 0.005 1 760 71 71 GLN HB2 H 2.003 0.008 2 761 71 71 GLN HB3 H 2.219 0.007 2 762 71 71 GLN HG2 H 2.107 0.006 2 763 71 71 GLN HG3 H 2.773 0.005 2 764 71 71 GLN HE21 H 6.864 0.002 1 765 71 71 GLN HE22 H 7.497 0.001 1 766 71 71 GLN C C 174.211 0.01 1 767 71 71 GLN CA C 54.226 0.064 1 768 71 71 GLN CB C 29.387 0.035 1 769 71 71 GLN CG C 33.700 0.028 1 770 71 71 GLN CD C 180.515 0.01 1 771 71 71 GLN N N 119.319 0.015 1 772 71 71 GLN NE2 N 113.904 0.029 1 773 72 72 ASP H H 8.179 0.003 1 774 72 72 ASP HA H 4.907 0.008 1 775 72 72 ASP HB2 H 2.418 0.004 2 776 72 72 ASP HB3 H 2.517 0.006 2 777 72 72 ASP C C 176.476 0.01 1 778 72 72 ASP CA C 53.991 0.029 1 779 72 72 ASP CB C 42.524 0.053 1 780 72 72 ASP N N 118.980 0.018 1 781 73 73 LEU H H 9.089 0.004 1 782 73 73 LEU HA H 4.491 0.006 1 783 73 73 LEU HB2 H 1.153 0.007 2 784 73 73 LEU HB3 H 1.915 0.006 2 785 73 73 LEU HG H 1.399 0.006 1 786 73 73 LEU HD1 H 0.822 0.004 2 787 73 73 LEU HD2 H 0.889 0.007 2 788 73 73 LEU C C 176.402 0.01 1 789 73 73 LEU CA C 55.189 0.037 1 790 73 73 LEU CB C 44.333 0.068 1 791 73 73 LEU CG C 27.719 0.074 1 792 73 73 LEU CD1 C 24.177 0.059 2 793 73 73 LEU CD2 C 26.347 0.068 2 794 73 73 LEU N N 127.095 0.011 1 795 74 74 ASP H H 9.453 0.002 1 796 74 74 ASP HA H 4.226 0.005 1 797 74 74 ASP HB2 H 2.474 0.004 2 798 74 74 ASP HB3 H 2.822 0.002 2 799 74 74 ASP C C 174.949 0.01 1 800 74 74 ASP CA C 55.712 0.051 1 801 74 74 ASP CB C 39.954 0.028 1 802 74 74 ASP N N 126.275 0.013 1 803 75 75 GLY H H 8.494 0.006 1 804 75 75 GLY HA2 H 3.797 0.001 2 805 75 75 GLY HA3 H 4.130 0.001 2 806 75 75 GLY C C 174.654 0.01 1 807 75 75 GLY CA C 45.777 0.03 1 808 75 75 GLY N N 103.491 0.012 1 809 76 76 ARG H H 7.413 0.006 1 810 76 76 ARG HA H 4.594 0.007 1 811 76 76 ARG HB2 H 1.672 0.009 2 812 76 76 ARG HB3 H 1.960 0.006 2 813 76 76 ARG HG2 H 1.540 0.009 2 814 76 76 ARG HG3 H 1.603 0.007 2 815 76 76 ARG HD2 H 3.177 0.014 1 816 76 76 ARG HD3 H 3.177 0.014 1 817 76 76 ARG C C 174.877 0.01 1 818 76 76 ARG CA C 53.039 0.059 1 819 76 76 ARG CB C 33.183 0.049 1 820 76 76 ARG CG C 26.655 0.07 1 821 76 76 ARG CD C 42.520 0.055 1 822 76 76 ARG N N 119.227 0.007 1 823 77 77 ASN H H 8.481 0.002 1 824 77 77 ASN HA H 5.009 0.005 1 825 77 77 ASN HB2 H 2.416 0.005 2 826 77 77 ASN HB3 H 2.592 0.004 2 827 77 77 ASN HD21 H 6.793 0.001 1 828 77 77 ASN HD22 H 7.436 0.001 1 829 77 77 ASN C C 175.759 0.01 1 830 77 77 ASN CA C 53.308 0.054 1 831 77 77 ASN CB C 38.768 0.029 1 832 77 77 ASN CG C 177.323 0.001 1 833 77 77 ASN N N 119.625 0.055 1 834 77 77 ASN ND2 N 111.378 0.007 1 835 78 78 ILE H H 8.361 0.005 1 836 78 78 ILE HA H 4.714 0.003 1 837 78 78 ILE HB H 2.106 0.008 1 838 78 78 ILE HG12 H 1.541 0.006 2 839 78 78 ILE HG13 H 1.479 0.005 2 840 78 78 ILE HG2 H 0.935 0.003 1 841 78 78 ILE HD1 H 0.804 0.005 1 842 78 78 ILE C C 175.785 0.01 1 843 78 78 ILE CA C 61.596 0.066 1 844 78 78 ILE CB C 40.078 0.1 1 845 78 78 ILE CG1 C 24.345 0.051 1 846 78 78 ILE CG2 C 19.305 0.066 1 847 78 78 ILE CD1 C 14.870 0.046 1 848 78 78 ILE N N 121.591 0.018 1 849 79 79 THR H H 8.619 0.004 1 850 79 79 THR HA H 4.926 0.003 1 851 79 79 THR HB H 3.959 0.003 1 852 79 79 THR HG2 H 1.280 0.004 1 853 79 79 THR C C 173.554 0.01 1 854 79 79 THR CA C 60.724 0.051 1 855 79 79 THR CB C 71.262 0.033 1 856 79 79 THR CG2 C 21.243 0.025 1 857 79 79 THR N N 116.952 0.023 1 858 80 80 VAL H H 8.805 0.005 1 859 80 80 VAL HA H 5.393 0.002 1 860 80 80 VAL HB H 1.957 0.004 1 861 80 80 VAL HG1 H 1.095 0.001 2 862 80 80 VAL HG2 H 1.103 0.004 2 863 80 80 VAL C C 174.275 0.01 1 864 80 80 VAL CA C 60.544 0.04 1 865 80 80 VAL CB C 35.160 0.038 1 866 80 80 VAL CG1 C 23.342 0.003 2 867 80 80 VAL CG2 C 22.868 0.007 2 868 80 80 VAL N N 123.770 0.021 1 869 81 81 ASN H H 8.920 0.007 1 870 81 81 ASN HA H 4.960 0.004 1 871 81 81 ASN HB2 H 2.844 0.003 2 872 81 81 ASN HB3 H 2.978 0.002 2 873 81 81 ASN HD21 H 7.348 0.001 1 874 81 81 ASN HD22 H 6.699 0.001 1 875 81 81 ASN C C 173.738 0.01 1 876 81 81 ASN CA C 52.185 0.035 1 877 81 81 ASN CB C 42.350 0.044 1 878 81 81 ASN CG C 175.681 0.001 1 879 81 81 ASN N N 120.949 0.021 1 880 81 81 ASN ND2 N 111.943 0.005 1 881 82 82 GLU H H 9.233 0.005 1 882 82 82 GLU HA H 4.391 0.005 1 883 82 82 GLU HB2 H 2.105 0.014 2 884 82 82 GLU HB3 H 2.051 0.003 2 885 82 82 GLU HG2 H 2.624 0.007 2 886 82 82 GLU HG3 H 2.478 0.009 2 887 82 82 GLU C C 176.172 0.01 1 888 82 82 GLU CA C 57.989 0.043 1 889 82 82 GLU CB C 30.104 0.083 1 890 82 82 GLU CG C 36.199 0.039 1 891 82 82 GLU N N 122.731 0.014 1 892 83 83 ALA H H 8.797 0.003 1 893 83 83 ALA HA H 4.506 0.003 1 894 83 83 ALA HB H 1.483 0.003 1 895 83 83 ALA C C 177.140 0.01 1 896 83 83 ALA CA C 52.517 0.036 1 897 83 83 ALA CB C 19.650 0.065 1 898 83 83 ALA N N 128.802 0.025 1 899 84 84 GLN H H 8.735 0.002 1 900 84 84 GLN HA H 4.373 0.009 1 901 84 84 GLN HB2 H 1.984 0.006 2 902 84 84 GLN HB3 H 2.120 0.006 2 903 84 84 GLN HG2 H 2.384 0.011 1 904 84 84 GLN HG3 H 2.384 0.011 1 905 84 84 GLN HE21 H 7.377 0.001 1 906 84 84 GLN HE22 H 6.852 0.001 1 907 84 84 GLN C C 176.054 0.01 1 908 84 84 GLN CA C 55.851 0.046 1 909 84 84 GLN CB C 29.749 0.059 1 910 84 84 GLN CG C 33.891 0.019 1 911 84 84 GLN CD C 180.562 0.001 1 912 84 84 GLN N N 120.743 0.01 1 913 84 84 GLN NE2 N 112.684 0.01 1 914 85 85 SER H H 8.478 0.003 1 915 85 85 SER HA H 4.407 0.009 1 916 85 85 SER HB2 H 3.868 0.007 1 917 85 85 SER HB3 H 3.868 0.007 1 918 85 85 SER C C 173.601 0.01 1 919 85 85 SER CA C 58.531 0.029 1 920 85 85 SER CB C 63.886 0.015 1 921 85 85 SER N N 118.219 0.014 1 922 86 86 ARG H H 8.069 0.001 1 923 86 86 ARG HA H 4.128 0.005 1 924 86 86 ARG HB2 H 1.790 0.005 2 925 86 86 ARG HB3 H 1.673 0.004 2 926 86 86 ARG HG2 H 1.529 0.002 2 927 86 86 ARG HG3 H 1.606 0.002 2 928 86 86 ARG HD2 H 3.090 0.005 2 929 86 86 ARG HD3 H 3.201 0.002 2 930 86 86 ARG CA C 57.563 0.033 1 931 86 86 ARG CB C 31.470 0.024 1 932 86 86 ARG CG C 27.172 0.006 1 933 86 86 ARG CD C 43.485 0.027 1 934 86 86 ARG N N 127.856 0.005 1 stop_ save_