data_4858 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF NUCLEOLIN RBD1 ; _BMRB_accession_number 4858 _BMRB_flat_file_name bmr4858.str _Entry_type original _Submission_date 2000-10-16 _Accession_date 2000-10-16 _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 Allain F. H.T. . 2 Gilbert D. E. . 3 Bouvet P. . . 4 Feigon J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 584 "13C chemical shifts" 309 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-14 original author . stop_ _Original_release_date 2001-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Strcuture of the two N-terminal RNA-binding Domains of Nucleolin and NMR Study of the Interaction with its RNA Target ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20481411 _PubMed_ID 11023788 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Allain F. H.T. . 2 Gilbert D. E. . 3 Bouvet P. . . 4 Feigon J. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 303 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 227 _Page_last 241 _Year 2000 _Details . loop_ _Keyword Nucleolus RBD 'RNA binding domain' RNP RRM stop_ save_ ################################## # Molecular system description # ################################## save_nucleolin_rbd1 _Saveframe_category molecular_system _Mol_system_name 'NUCLEOLIN RBD1' _Abbreviation_common 'nucleolin rbd1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NUCLEOLIN RBD1' $rbd1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rbd1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'NUCLEOLIN RBD1' _Abbreviation_common rbd1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSHMLEDPVEGSESTTPFNL FIGNLNPNKSVAELKVAISE LFAKNDLAVVDVRTGTNRKF GYVDFESAEDLEKALELTGL KVFGNEIKLEKPKGRDGTRG C ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 LEU 6 GLU 7 ASP 8 PRO 9 VAL 10 GLU 11 GLY 12 SER 13 GLU 14 SER 15 THR 16 THR 17 PRO 18 PHE 19 ASN 20 LEU 21 PHE 22 ILE 23 GLY 24 ASN 25 LEU 26 ASN 27 PRO 28 ASN 29 LYS 30 SER 31 VAL 32 ALA 33 GLU 34 LEU 35 LYS 36 VAL 37 ALA 38 ILE 39 SER 40 GLU 41 LEU 42 PHE 43 ALA 44 LYS 45 ASN 46 ASP 47 LEU 48 ALA 49 VAL 50 VAL 51 ASP 52 VAL 53 ARG 54 THR 55 GLY 56 THR 57 ASN 58 ARG 59 LYS 60 PHE 61 GLY 62 TYR 63 VAL 64 ASP 65 PHE 66 GLU 67 SER 68 ALA 69 GLU 70 ASP 71 LEU 72 GLU 73 LYS 74 ALA 75 LEU 76 GLU 77 LEU 78 THR 79 GLY 80 LEU 81 LYS 82 VAL 83 PHE 84 GLY 85 ASN 86 GLU 87 ILE 88 LYS 89 LEU 90 GLU 91 LYS 92 PRO 93 LYS 94 GLY 95 ARG 96 ASP 97 GLY 98 THR 99 ARG 100 GLY 101 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2008-08-19 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 1FJ7 'Solution Structure Of Nucleolin Rbd1' 100.00 101 100.00 100.00 3.92e-51 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rbd1 'golden hamster' 10036 Eukaryota Metazoa Mesocricetus auratus 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 $rbd1 'recombinant technology' . Escherichia coli . BL21(DE3)PLYSS 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 $rbd1 1 mM '[U-15N; U-13C]' 'potasium phosphate' 50 mM . KCl 100 mM . DTT 5 mM [U-2H] H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.841 loop_ _Task refinement 'structure solution' stop_ _Details Brunger save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1 loop_ _Task 'structure solution' stop_ _Details Guntert save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.2 0.1 n/a temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NUCLEOLIN RBD1' _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 GLY H H 8.43 0.02 1 2 . 1 GLY HA2 H 3.87 0.02 1 3 . 1 GLY HA3 H 3.87 0.02 1 4 . 1 GLY CA C 42.2 0.1 1 5 . 1 GLY N N 109.0 0.1 1 6 . 2 SER H H 8.05 0.02 1 7 . 2 SER HA H 4.03 0.02 1 8 . 2 SER HB2 H 3.92 0.02 1 9 . 2 SER HB3 H 3.92 0.02 1 10 . 2 SER CA C 54.6 0.1 1 11 . 2 SER CB C 63.0 0.1 1 12 . 2 SER N N 114.5 0.1 1 13 . 3 HIS H H 8.67 0.02 1 14 . 3 HIS HA H 4.60 0.02 1 15 . 3 HIS HB2 H 3.15 0.02 2 16 . 3 HIS HB3 H 3.05 0.02 2 17 . 3 HIS HD1 H 7.14 0.02 1 18 . 3 HIS HE1 H 8.22 0.02 1 19 . 3 HIS CA C 53.5 0.1 1 20 . 3 HIS CB C 27.2 0.1 1 21 . 3 HIS CD2 C 117.7 0.1 1 22 . 3 HIS CE1 C 134.8 0.1 1 23 . 3 HIS N N 120.3 0.1 1 24 . 4 MET H H 8.39 0.02 1 25 . 4 MET HA H 4.34 0.02 1 26 . 4 MET HB2 H 1.93 0.02 1 27 . 4 MET HB3 H 1.93 0.02 1 28 . 4 MET HG2 H 2.45 0.02 1 29 . 4 MET HG3 H 2.45 0.02 1 30 . 4 MET HE H 2.02 0.02 1 31 . 4 MET CA C 53.3 0.1 1 32 . 4 MET CB C 30.0 0.1 1 33 . 4 MET CG C 28.9 0.1 1 34 . 4 MET CE C 14.5 0.1 1 35 . 4 MET N N 121.1 0.1 1 36 . 5 LEU H H 8.29 0.02 1 37 . 5 LEU HA H 4.24 0.02 1 38 . 5 LEU HB2 H 1.53 0.02 1 39 . 5 LEU HB3 H 1.53 0.02 1 40 . 5 LEU HG H 1.53 0.02 1 41 . 5 LEU HD1 H 0.86 0.02 2 42 . 5 LEU HD2 H 0.81 0.02 2 43 . 5 LEU CA C 53.1 0.1 1 44 . 5 LEU CB C 39.3 0.1 1 45 . 5 LEU CG C 25.8 0.1 1 46 . 5 LEU CD1 C 21.5 0.1 1 47 . 5 LEU CD2 C 20.6 0.1 1 48 . 5 LEU N N 122.4 0.1 1 49 . 6 GLU H H 8.29 0.02 1 50 . 6 GLU HA H 4.20 0.02 1 51 . 6 GLU HB2 H 1.93 0.02 2 52 . 6 GLU HB3 H 1.81 0.02 2 53 . 6 GLU HG2 H 2.14 0.02 1 54 . 6 GLU HG3 H 2.14 0.02 1 55 . 6 GLU CA C 53.8 0.1 1 56 . 6 GLU CB C 27.2 0.1 1 57 . 6 GLU CG C 33.0 0.1 1 58 . 6 GLU N N 120.4 0.1 1 59 . 7 ASP H H 8.30 0.02 1 60 . 7 ASP HA H 4.78 0.02 1 61 . 7 ASP HB2 H 2.65 0.02 2 62 . 7 ASP HB3 H 2.41 0.02 2 63 . 7 ASP CA C 50.3 0.1 1 64 . 7 ASP CB C 37.8 0.1 1 65 . 7 ASP N N 122.0 0.1 1 66 . 8 PRO HA H 4.36 0.02 1 67 . 8 PRO HB2 H 2.17 0.02 2 68 . 8 PRO HB3 H 1.87 0.02 2 69 . 8 PRO HG2 H 1.93 0.02 1 70 . 8 PRO HG3 H 1.93 0.02 1 71 . 8 PRO HD2 H 3.76 0.02 2 72 . 8 PRO HD3 H 3.66 0.02 2 73 . 8 PRO CA C 60.9 0.1 1 74 . 8 PRO CB C 29.3 0.1 1 75 . 8 PRO CG C 24.1 0.1 1 76 . 8 PRO CD C 48.1 0.1 1 77 . 9 VAL H H 8.31 0.02 1 78 . 9 VAL HA H 3.99 0.02 1 79 . 9 VAL HB H 1.99 0.02 1 80 . 9 VAL HG1 H 0.88 0.02 1 81 . 9 VAL HG2 H 0.88 0.02 1 82 . 9 VAL CA C 60.9 0.1 1 83 . 9 VAL CB C 29.7 0.1 1 84 . 9 VAL CG1 C 18.2 0.1 1 85 . 9 VAL CG2 C 18.2 0.1 1 86 . 9 VAL N N 120.4 0.1 1 87 . 10 GLU H H 8.50 0.02 1 88 . 10 GLU HA H 4.18 0.02 1 89 . 10 GLU HB2 H 1.97 0.02 1 90 . 10 GLU HB3 H 1.97 0.02 1 91 . 10 GLU HG2 H 2.23 0.02 1 92 . 10 GLU HG3 H 2.23 0.02 1 93 . 10 GLU CA C 54.4 0.1 1 94 . 10 GLU CB C 27.7 0.1 1 95 . 10 GLU CG C 32.7 0.1 1 96 . 10 GLU N N 123.8 0.1 1 97 . 11 GLY H H 8.51 0.02 1 98 . 11 GLY HA2 H 3.88 0.02 1 99 . 11 GLY HA3 H 3.88 0.02 1 100 . 11 GLY CA C 43.2 0.1 1 101 . 11 GLY N N 110.1 0.1 1 102 . 12 SER H H 8.09 0.02 1 103 . 12 SER HA H 4.21 0.02 1 104 . 12 SER HB2 H 3.71 0.02 1 105 . 12 SER HB3 H 3.71 0.02 1 106 . 12 SER CA C 55.9 0.1 1 107 . 12 SER CB C 61.3 0.1 1 108 . 12 SER N N 114.5 0.1 1 109 . 13 GLU H H 8.43 0.02 1 110 . 13 GLU HA H 4.21 0.02 1 111 . 13 GLU HB2 H 1.94 0.02 2 112 . 13 GLU HB3 H 1.78 0.02 2 113 . 13 GLU HG2 H 2.14 0.02 1 114 . 13 GLU HG3 H 2.14 0.02 1 115 . 13 GLU CA C 54.0 0.1 1 116 . 13 GLU CB C 27.2 0.1 1 117 . 13 GLU CG C 32.8 0.1 1 118 . 13 GLU N N 121.8 0.1 1 119 . 14 SER H H 8.09 0.02 1 120 . 14 SER HA H 4.31 0.02 1 121 . 14 SER HB2 H 3.87 0.02 2 122 . 14 SER HB3 H 3.70 0.02 2 123 . 14 SER CA C 55.6 0.1 1 124 . 14 SER CB C 61.4 0.1 1 125 . 14 SER N N 115.5 0.1 1 126 . 15 THR H H 8.80 0.02 1 127 . 15 THR HA H 4.23 0.02 1 128 . 15 THR HB H 4.13 0.02 1 129 . 15 THR HG2 H 1.09 0.02 1 130 . 15 THR CA C 55.1 0.1 1 131 . 15 THR CB C 66.2 0.1 1 132 . 15 THR CG2 C 18.9 0.1 1 133 . 15 THR N N 115.0 0.1 1 134 . 16 THR H H 7.50 0.02 1 135 . 16 THR HA H 4.71 0.02 1 136 . 16 THR HB H 4.48 0.02 1 137 . 16 THR HG2 H 1.13 0.02 1 138 . 16 THR CA C 55.1 0.1 1 139 . 16 THR CB C 67.0 0.1 1 140 . 16 THR CG2 C 18.9 0.1 1 141 . 17 PRO HA H 4.39 0.02 1 142 . 17 PRO HB2 H 1.86 0.02 2 143 . 17 PRO HB3 H 0.91 0.02 2 144 . 17 PRO HG2 H 1.51 0.02 2 145 . 17 PRO HG3 H 0.95 0.02 2 146 . 17 PRO HD2 H 3.51 0.02 2 147 . 17 PRO HD3 H 3.15 0.02 2 148 . 17 PRO CA C 60.0 0.1 1 149 . 17 PRO CB C 28.7 0.1 1 150 . 17 PRO CG C 23.3 0.1 1 151 . 17 PRO CD C 47.6 0.1 1 152 . 18 PHE H H 7.60 0.02 1 153 . 18 PHE HA H 4.84 0.02 1 154 . 18 PHE HB2 H 3.08 0.02 2 155 . 18 PHE HB3 H 2.80 0.02 2 156 . 18 PHE HD1 H 7.10 0.02 1 157 . 18 PHE HD2 H 7.10 0.02 1 158 . 18 PHE HE1 H 7.34 0.02 1 159 . 18 PHE HE2 H 7.34 0.02 1 160 . 18 PHE HZ H 7.34 0.02 1 161 . 18 PHE CA C 52.0 0.1 1 162 . 18 PHE CB C 34.8 0.1 1 163 . 18 PHE N N 119.6 0.1 1 164 . 19 ASN H H 7.96 0.02 1 165 . 19 ASN HA H 6.05 0.02 1 166 . 19 ASN HB2 H 2.94 0.02 2 167 . 19 ASN HB3 H 2.42 0.02 2 168 . 19 ASN HD21 H 7.40 0.02 1 169 . 19 ASN HD22 H 6.84 0.02 1 170 . 19 ASN CA C 48.5 0.1 1 171 . 19 ASN CB C 39.9 0.1 1 172 . 19 ASN N N 119.1 0.1 1 173 . 19 ASN ND2 N 112.0 0.1 1 174 . 20 LEU H H 9.24 0.02 1 175 . 20 LEU HA H 5.00 0.02 1 176 . 20 LEU HB2 H 1.68 0.02 1 177 . 20 LEU HB3 H 1.68 0.02 1 178 . 20 LEU HG H 1.74 0.02 1 179 . 20 LEU HD1 H 0.96 0.02 2 180 . 20 LEU HD2 H 0.90 0.02 2 181 . 20 LEU CA C 50.8 0.1 1 182 . 20 LEU CB C 43.0 0.1 1 183 . 20 LEU CG C 23.6 0.1 1 184 . 20 LEU CD1 C 22.0 0.1 2 185 . 20 LEU CD2 C 23.4 0.1 2 186 . 20 LEU N N 118.1 0.1 1 187 . 21 PHE H H 9.00 0.02 1 188 . 21 PHE HA H 4.65 0.02 1 189 . 21 PHE HB2 H 2.97 0.02 2 190 . 21 PHE HB3 H 2.82 0.02 2 191 . 21 PHE HD1 H 6.80 0.02 1 192 . 21 PHE HD2 H 6.80 0.02 1 193 . 21 PHE HE1 H 6.91 0.02 1 194 . 21 PHE HE2 H 6.91 0.02 1 195 . 21 PHE HZ H 6.99 0.02 1 196 . 21 PHE CA C 54.4 0.1 1 197 . 21 PHE CB C 37.8 0.1 1 198 . 21 PHE N N 122.8 0.1 1 199 . 22 ILE H H 8.14 0.02 1 200 . 22 ILE HA H 4.86 0.02 1 201 . 22 ILE HB H 1.19 0.02 1 202 . 22 ILE HG12 H 1.44 0.02 2 203 . 22 ILE HG13 H 0.79 0.02 2 204 . 22 ILE HG2 H 0.60 0.02 1 205 . 22 ILE HD1 H 0.69 0.02 1 206 . 22 ILE CA C 55.0 0.1 1 207 . 22 ILE CB C 37.7 0.1 1 208 . 22 ILE CG1 C 24.1 0.1 1 209 . 22 ILE CG2 C 13.3 0.1 1 210 . 22 ILE CD1 C 11.6 0.1 1 211 . 22 ILE N N 125.2 0.1 1 212 . 23 GLY H H 9.00 0.02 1 213 . 23 GLY HA2 H 4.54 0.02 2 214 . 23 GLY HA3 H 3.69 0.02 2 215 . 23 GLY CA C 40.1 0.1 1 216 . 23 GLY N N 111.3 0.1 1 217 . 24 ASN H H 8.38 0.02 1 218 . 24 ASN HA H 4.50 0.02 1 219 . 24 ASN HB2 H 3.60 0.02 2 220 . 24 ASN HB3 H 2.48 0.02 2 221 . 24 ASN HD21 H 7.89 0.02 1 222 . 24 ASN HD22 H 6.81 0.02 1 223 . 24 ASN CA C 50.8 0.1 1 224 . 24 ASN CB C 35.3 0.1 1 225 . 24 ASN N N 113.4 0.1 1 226 . 24 ASN ND2 N 110.5 0.1 1 227 . 25 LEU H H 7.63 0.02 1 228 . 25 LEU HA H 4.02 0.02 1 229 . 25 LEU HB2 H 1.59 0.02 2 230 . 25 LEU HB3 H 0.97 0.02 2 231 . 25 LEU HG H 1.13 0.02 1 232 . 25 LEU HD1 H 0.31 0.02 2 233 . 25 LEU HD2 H 0.50 0.02 2 234 . 25 LEU CA C 51.5 0.1 1 235 . 25 LEU CB C 38.5 0.1 1 236 . 25 LEU CG C 23.9 0.1 1 237 . 25 LEU CD1 C 21.7 0.1 2 238 . 25 LEU CD2 C 19.3 0.1 2 239 . 25 LEU N N 114.7 0.1 1 240 . 26 ASN H H 6.80 0.02 1 241 . 26 ASN HA H 4.75 0.02 1 242 . 26 ASN HB2 H 2.88 0.02 2 243 . 26 ASN HB3 H 2.52 0.02 2 244 . 26 ASN HD21 H 7.60 0.02 1 245 . 26 ASN HD22 H 7.20 0.02 1 246 . 26 ASN CA C 47.6 0.1 1 247 . 26 ASN CB C 36.0 0.1 1 248 . 26 ASN N N 117.5 0.1 1 249 . 26 ASN ND2 N 110.5 0.1 1 250 . 27 PRO HA H 4.51 0.02 1 251 . 27 PRO HB2 H 1.99 0.02 1 252 . 27 PRO HB3 H 1.99 0.02 1 253 . 27 PRO HG2 H 1.84 0.02 2 254 . 27 PRO HG3 H 1.73 0.02 2 255 . 27 PRO HD2 H 4.08 0.02 2 256 . 27 PRO HD3 H 3.79 0.02 2 257 . 27 PRO CA C 60.9 0.1 1 258 . 27 PRO CB C 29.5 0.1 1 259 . 27 PRO CG C 23.6 0.1 1 260 . 27 PRO CD C 47.1 0.1 1 261 . 28 ASN H H 8.18 0.02 1 262 . 28 ASN HA H 4.51 0.02 1 263 . 28 ASN HB2 H 2.71 0.02 2 264 . 28 ASN HB3 H 2.60 0.02 2 265 . 28 ASN HD21 H 7.58 0.02 1 266 . 28 ASN HD22 H 7.03 0.02 1 267 . 28 ASN CA C 50.7 0.1 1 268 . 28 ASN CB C 35.3 0.1 1 269 . 28 ASN N N 117.9 0.1 1 270 . 28 ASN ND2 N 114.2 0.1 1 271 . 29 LYS H H 7.08 0.02 1 272 . 29 LYS HA H 4.29 0.02 1 273 . 29 LYS HB2 H 1.48 0.02 2 274 . 29 LYS HB3 H 1.37 0.02 2 275 . 29 LYS HG2 H 0.68 0.02 2 276 . 29 LYS HG3 H 0.39 0.02 2 277 . 29 LYS HD2 H 1.14 0.02 2 278 . 29 LYS HD3 H 0.70 0.02 2 279 . 29 LYS HE2 H 2.00 0.02 2 280 . 29 LYS HE3 H 1.83 0.02 2 281 . 29 LYS CA C 49.2 0.1 1 282 . 29 LYS CB C 29.3 0.1 1 283 . 29 LYS CG C 20.3 0.1 1 284 . 29 LYS CD C 23.7 0.1 1 285 . 29 LYS CE C 39.0 0.1 1 286 . 29 LYS N N 118.8 0.1 1 287 . 30 SER H H 8.80 0.02 1 288 . 30 SER HA H 4.32 0.02 1 289 . 30 SER HB2 H 3.91 0.02 2 290 . 30 SER HB3 H 4.30 0.02 2 291 . 30 SER CA C 55.0 0.1 1 292 . 30 SER CB C 62.2 0.1 1 293 . 30 SER N N 115.5 0.1 1 294 . 31 VAL H H 8.64 0.02 1 295 . 31 VAL HA H 3.39 0.02 1 296 . 31 VAL HB H 1.97 0.02 1 297 . 31 VAL HG1 H 1.04 0.02 2 298 . 31 VAL HG2 H 0.93 0.02 2 299 . 31 VAL CA C 64.8 0.1 1 300 . 31 VAL CB C 29.0 0.1 1 301 . 31 VAL CG1 C 20.2 0.1 2 302 . 31 VAL CG2 C 18.1 0.1 2 303 . 31 VAL N N 119.5 0.1 1 304 . 32 ALA H H 8.26 0.02 1 305 . 32 ALA HA H 4.02 0.02 1 306 . 32 ALA HB H 1.35 0.02 1 307 . 32 ALA CA C 53.1 0.1 1 308 . 32 ALA CB C 15.3 0.1 1 309 . 32 ALA N N 119.6 0.1 1 310 . 33 GLU H H 7.80 0.02 1 311 . 33 GLU HA H 3.97 0.02 1 312 . 33 GLU HB2 H 2.28 0.02 1 313 . 33 GLU HB3 H 2.28 0.02 1 314 . 33 GLU HG2 H 2.28 0.02 1 315 . 33 GLU HG3 H 2.28 0.02 1 316 . 33 GLU CA C 56.5 0.1 1 317 . 33 GLU CB C 27.2 0.1 1 318 . 33 GLU CG C 34.7 0.1 1 319 . 33 GLU N N 116.6 0.1 1 320 . 34 LEU H H 8.57 0.02 1 321 . 34 LEU HA H 4.03 0.02 1 322 . 34 LEU HB2 H 2.02 0.02 2 323 . 34 LEU HB3 H 1.06 0.02 2 324 . 34 LEU HG H 1.70 0.02 1 325 . 34 LEU HD1 H 0.99 0.02 2 326 . 34 LEU HD2 H 0.75 0.02 2 327 . 34 LEU CA C 56.2 0.1 1 328 . 34 LEU CB C 39.4 0.1 1 329 . 34 LEU CG C 24.0 0.1 1 330 . 34 LEU CD1 C 20.3 0.1 2 331 . 34 LEU CD2 C 22.1 0.1 2 332 . 34 LEU N N 120.5 0.1 1 333 . 35 LYS H H 8.64 0.02 1 334 . 35 LYS HA H 3.62 0.02 1 335 . 35 LYS HB2 H 1.83 0.02 1 336 . 35 LYS HB3 H 1.83 0.02 1 337 . 35 LYS HG2 H 1.62 0.02 2 338 . 35 LYS HG3 H 1.10 0.02 2 339 . 35 LYS HD2 H 1.66 0.02 1 340 . 35 LYS HD3 H 1.66 0.02 1 341 . 35 LYS HE2 H 2.97 0.02 1 342 . 35 LYS HE3 H 2.97 0.02 1 343 . 35 LYS CA C 58.9 0.1 1 344 . 35 LYS CB C 29.2 0.1 1 345 . 35 LYS CG C 23.2 0.1 1 346 . 35 LYS CD C 26.9 0.1 1 347 . 35 LYS CE C 38.9 0.1 1 348 . 35 LYS N N 118.0 0.1 1 349 . 36 VAL H H 7.65 0.02 1 350 . 36 VAL HA H 3.65 0.02 1 351 . 36 VAL HB H 2.03 0.02 1 352 . 36 VAL HG1 H 1.06 0.02 2 353 . 36 VAL HG2 H 0.89 0.02 2 354 . 36 VAL CA C 63.8 0.1 1 355 . 36 VAL CB C 29.4 0.1 1 356 . 36 VAL CG1 C 20.1 0.1 2 357 . 36 VAL CG2 C 17.8 0.1 2 358 . 36 VAL N N 118.5 0.1 1 359 . 37 ALA H H 8.01 0.02 1 360 . 37 ALA HA H 4.02 0.02 1 361 . 37 ALA HB H 1.21 0.02 1 362 . 37 ALA CA C 52.7 0.1 1 363 . 37 ALA CB C 17.1 0.1 1 364 . 37 ALA N N 120.7 0.1 1 365 . 38 ILE H H 8.62 0.02 1 366 . 38 ILE HA H 3.44 0.02 1 367 . 38 ILE HB H 1.86 0.02 1 368 . 38 ILE HG12 H 1.80 0.02 2 369 . 38 ILE HG13 H 0.76 0.02 2 370 . 38 ILE HG2 H 0.88 0.02 1 371 . 38 ILE HD1 H 0.61 0.02 1 372 . 38 ILE CA C 62.7 0.1 1 373 . 38 ILE CB C 34.9 0.1 1 374 . 38 ILE CG1 C 26.9 0.1 1 375 . 38 ILE CG2 C 15.3 0.1 1 376 . 38 ILE CD1 C 10.7 0.1 1 377 . 38 ILE N N 117.5 0.1 1 378 . 39 SER H H 8.02 0.02 1 379 . 39 SER HA H 4.04 0.02 1 380 . 39 SER HB2 H 3.90 0.02 2 381 . 39 SER HB3 H 4.00 0.02 2 382 . 39 SER CA C 60.5 0.1 1 383 . 39 SER CB C 59.8 0.1 1 384 . 39 SER N N 114.5 0.1 1 385 . 40 GLU H H 8.66 0.02 1 386 . 40 GLU HA H 4.03 0.02 1 387 . 40 GLU HB2 H 2.07 0.02 2 388 . 40 GLU HB3 H 1.89 0.02 2 389 . 40 GLU HG2 H 2.46 0.02 2 390 . 40 GLU HG3 H 2.15 0.02 2 391 . 40 GLU CA C 57.0 0.1 1 392 . 40 GLU CB C 26.1 0.1 1 393 . 40 GLU CG C 34.0 0.1 1 394 . 40 GLU N N 121.1 0.1 1 395 . 41 LEU H H 7.73 0.02 1 396 . 41 LEU HA H 3.97 0.02 1 397 . 41 LEU HB2 H 1.66 0.02 2 398 . 41 LEU HB3 H 1.43 0.02 2 399 . 41 LEU HG H 0.91 0.02 1 400 . 41 LEU HD1 H 0.68 0.02 2 401 . 41 LEU HD2 H 0.37 0.02 2 402 . 41 LEU CA C 55.5 0.1 1 403 . 41 LEU CB C 38.9 0.1 1 404 . 41 LEU CG C 23.0 0.1 1 405 . 41 LEU CD1 C 20.5 0.1 1 406 . 41 LEU CD2 C 22.4 0.1 1 407 . 41 LEU N N 121.0 0.1 1 408 . 42 PHE H H 7.58 0.02 1 409 . 42 PHE HA H 4.14 0.02 1 410 . 42 PHE HB2 H 3.39 0.02 2 411 . 42 PHE HB3 H 2.78 0.02 2 412 . 42 PHE HD1 H 7.28 0.02 1 413 . 42 PHE HD2 H 7.28 0.02 1 414 . 42 PHE HE1 H 7.18 0.02 1 415 . 42 PHE HE2 H 7.18 0.02 1 416 . 42 PHE HZ H 7.16 0.02 1 417 . 42 PHE CA C 61.0 0.1 1 418 . 42 PHE CB C 34.9 0.1 1 419 . 42 PHE N N 115.6 0.1 1 420 . 43 ALA H H 8.53 0.02 1 421 . 43 ALA HA H 4.25 0.02 1 422 . 43 ALA HB H 1.58 0.02 1 423 . 43 ALA CA C 52.8 0.1 1 424 . 43 ALA CB C 15.4 0.1 1 425 . 43 ALA N N 124.6 0.1 1 426 . 44 LYS H H 8.13 0.02 1 427 . 44 LYS HA H 4.17 0.02 1 428 . 44 LYS HB2 H 1.91 0.02 1 429 . 44 LYS HB3 H 1.91 0.02 1 430 . 44 LYS HG2 H 1.53 0.02 1 431 . 44 LYS HG3 H 1.53 0.02 1 432 . 44 LYS HD2 H 1.62 0.02 1 433 . 44 LYS HD3 H 1.62 0.02 1 434 . 44 LYS HE2 H 3.23 0.02 1 435 . 44 LYS HE3 H 3.23 0.02 1 436 . 44 LYS CA C 56.0 0.1 1 437 . 44 LYS CB C 28.9 0.1 1 438 . 44 LYS CG C 21.9 0.1 1 439 . 44 LYS CD C 26.2 0.1 1 440 . 44 LYS CE C 39.0 0.1 1 441 . 44 LYS N N 118.8 0.1 1 442 . 45 ASN H H 7.50 0.02 1 443 . 45 ASN HA H 4.71 0.02 1 444 . 45 ASN HB2 H 3.00 0.02 2 445 . 45 ASN HB3 H 2.36 0.02 2 446 . 45 ASN HD21 H 7.32 0.02 1 447 . 45 ASN HD22 H 7.27 0.02 1 448 . 45 ASN CA C 51.4 0.1 1 449 . 45 ASN CB C 37.7 0.1 1 450 . 45 ASN N N 117.1 0.1 1 451 . 45 ASN ND2 N 114.5 0.1 1 452 . 46 ASP H H 7.87 0.02 1 453 . 46 ASP HA H 4.23 0.02 1 454 . 46 ASP HB2 H 2.96 0.02 2 455 . 46 ASP HB3 H 2.66 0.02 2 456 . 46 ASP CA C 53.5 0.1 1 457 . 46 ASP CB C 36.2 0.1 1 458 . 46 ASP N N 112.8 0.1 1 459 . 47 LEU H H 7.89 0.02 1 460 . 47 LEU HA H 4.66 0.02 1 461 . 47 LEU HB2 H 1.84 0.02 2 462 . 47 LEU HB3 H 1.09 0.02 2 463 . 47 LEU HG H 1.63 0.02 1 464 . 47 LEU HD1 H 0.83 0.02 2 465 . 47 LEU HD2 H 0.82 0.02 2 466 . 47 LEU CA C 50.7 0.1 1 467 . 47 LEU CB C 42.6 0.1 1 468 . 47 LEU CG C 23.3 0.1 1 469 . 47 LEU CD1 C 23.6 0.1 2 470 . 47 LEU CD2 C 20.9 0.1 2 471 . 47 LEU N N 118.5 0.1 1 472 . 48 ALA H H 8.83 0.02 1 473 . 48 ALA HA H 4.35 0.02 1 474 . 48 ALA HB H 1.28 0.02 1 475 . 48 ALA CA C 48.7 0.1 1 476 . 48 ALA CB C 15.8 0.1 1 477 . 48 ALA N N 126.9 0.1 1 478 . 49 VAL H H 7.93 0.02 1 479 . 49 VAL HA H 3.87 0.02 1 480 . 49 VAL HB H 1.76 0.02 1 481 . 49 VAL HG1 H 0.45 0.02 2 482 . 49 VAL HG2 H 0.67 0.02 2 483 . 49 VAL CA C 58.3 0.1 1 484 . 49 VAL CB C 29.2 0.1 1 485 . 49 VAL CG1 C 19.8 0.1 1 486 . 49 VAL CG2 C 17.4 0.1 1 487 . 49 VAL N N 119.4 0.1 1 488 . 50 VAL H H 8.68 0.02 1 489 . 50 VAL HA H 3.87 0.02 1 490 . 50 VAL HB H 1.53 0.02 1 491 . 50 VAL HG1 H 0.83 0.02 2 492 . 50 VAL HG2 H 0.79 0.02 2 493 . 50 VAL CA C 61.4 0.1 1 494 . 50 VAL CB C 29.7 0.1 1 495 . 50 VAL CG1 C 18.6 0.1 2 496 . 50 VAL CG2 C 18.9 0.1 2 497 . 50 VAL N N 123.4 0.1 1 498 . 51 ASP H H 7.21 0.02 1 499 . 51 ASP HA H 4.71 0.02 1 500 . 51 ASP HB2 H 2.62 0.02 2 501 . 51 ASP HB3 H 2.40 0.02 2 502 . 51 ASP CA C 51.0 0.1 1 503 . 51 ASP CB C 41.4 0.1 1 504 . 51 ASP N N 114.8 0.1 1 505 . 52 VAL H H 8.09 0.02 1 506 . 52 VAL HA H 4.61 0.02 1 507 . 52 VAL HB H 1.76 0.02 1 508 . 52 VAL HG1 H 0.83 0.02 2 509 . 52 VAL HG2 H 0.73 0.02 2 510 . 52 VAL CA C 59.0 0.1 1 511 . 52 VAL CB C 32.2 0.1 1 512 . 52 VAL CG1 C 18.3 0.1 2 513 . 52 VAL CG2 C 18.0 0.1 2 514 . 52 VAL N N 120.4 0.1 1 515 . 53 ARG H H 9.08 0.02 1 516 . 53 ARG HA H 4.69 0.02 1 517 . 53 ARG HB2 H 1.75 0.02 2 518 . 53 ARG HB3 H 1.61 0.02 2 519 . 53 ARG HG2 H 1.47 0.02 2 520 . 53 ARG HG3 H 1.30 0.02 2 521 . 53 ARG HD2 H 3.20 0.02 1 522 . 53 ARG HD3 H 3.20 0.02 1 523 . 53 ARG CA C 51.6 0.1 1 524 . 53 ARG CB C 29.6 0.1 1 525 . 53 ARG CG C 24.7 0.1 1 526 . 53 ARG CD C 42.0 0.1 1 527 . 53 ARG N N 125.5 0.1 1 528 . 54 THR H H 8.47 0.02 1 529 . 54 THR HA H 4.51 0.02 1 530 . 54 THR HB H 3.99 0.02 1 531 . 54 THR HG2 H 0.88 0.02 1 532 . 54 THR CA C 57.6 0.1 1 533 . 54 THR CB C 67.5 0.1 1 534 . 54 THR CG2 C 18.2 0.1 1 535 . 54 THR N N 112.3 0.1 1 536 . 55 GLY H H 8.45 0.02 1 537 . 55 GLY HA2 H 4.07 0.02 2 538 . 55 GLY HA3 H 2.78 0.02 2 539 . 55 GLY CA C 41.6 0.1 1 540 . 55 GLY N N 109.2 0.1 1 541 . 56 THR H H 8.82 0.02 1 542 . 56 THR HA H 4.40 0.02 1 543 . 56 THR HB H 4.16 0.02 1 544 . 56 THR HG2 H 1.27 0.02 1 545 . 56 THR CA C 59.8 0.1 1 546 . 56 THR CB C 68.8 0.1 1 547 . 56 THR CG2 C 19.5 0.1 1 548 . 57 ASN HA H 4.51 0.02 1 549 . 57 ASN HB2 H 3.06 0.02 2 550 . 57 ASN HB3 H 2.83 0.02 2 551 . 57 ASN HD21 H 7.55 0.02 1 552 . 57 ASN HD22 H 7.05 0.02 1 553 . 57 ASN CA C 51.0 0.1 1 554 . 57 ASN CB C 34.4 0.1 1 555 . 57 ASN ND2 N 108.9 0.1 1 556 . 58 ARG H H 7.89 0.02 1 557 . 58 ARG HA H 3.29 0.02 1 558 . 58 ARG HB2 H 2.06 0.02 1 559 . 58 ARG HB3 H 2.06 0.02 1 560 . 58 ARG CA C 55.0 0.1 1 561 . 58 ARG CB C 27.3 0.1 1 562 . 58 ARG N N 110.9 0.1 1 563 . 59 LYS H H 7.66 0.02 1 564 . 59 LYS HA H 4.27 0.02 1 565 . 59 LYS HB2 H 1.67 0.02 1 566 . 59 LYS HB3 H 1.67 0.02 1 567 . 59 LYS CA C 54.6 0.1 1 568 . 59 LYS CB C 30.3 0.1 1 569 . 59 LYS N N 110.0 0.1 1 570 . 60 PHE H H 7.43 0.02 1 571 . 60 PHE HA H 5.08 0.02 1 572 . 60 PHE HB2 H 3.02 0.02 2 573 . 60 PHE HB3 H 2.89 0.02 2 574 . 60 PHE HD1 H 7.00 0.02 1 575 . 60 PHE HD2 H 7.00 0.02 1 576 . 60 PHE HE1 H 7.50 0.02 1 577 . 60 PHE HE2 H 7.50 0.02 1 578 . 60 PHE HZ H 6.92 0.02 1 579 . 60 PHE CA C 51.8 0.1 1 580 . 60 PHE CB C 39.2 0.1 1 581 . 60 PHE N N 114.4 0.1 1 582 . 61 GLY H H 8.78 0.02 1 583 . 61 GLY HA2 H 3.93 0.02 2 584 . 61 GLY HA3 H 3.76 0.02 2 585 . 61 GLY CA C 42.8 0.1 1 586 . 61 GLY N N 107.9 0.1 1 587 . 62 TYR H H 8.93 0.02 1 588 . 62 TYR HA H 5.60 0.02 1 589 . 62 TYR HB2 H 2.85 0.02 2 590 . 62 TYR HB3 H 2.46 0.02 2 591 . 62 TYR HD1 H 6.96 0.02 1 592 . 62 TYR HD2 H 6.96 0.02 1 593 . 62 TYR HE1 H 6.91 0.02 1 594 . 62 TYR HE2 H 6.91 0.02 1 595 . 62 TYR CA C 54.2 0.1 1 596 . 62 TYR CB C 40.6 0.1 1 597 . 62 TYR N N 116.1 0.1 1 598 . 63 VAL H H 9.03 0.02 1 599 . 63 VAL HA H 4.61 0.02 1 600 . 63 VAL HB H 1.65 0.02 1 601 . 63 VAL HG1 H 0.59 0.02 2 602 . 63 VAL HG2 H 0.40 0.02 2 603 . 63 VAL CA C 57.2 0.1 1 604 . 63 VAL CB C 31.9 0.1 1 605 . 63 VAL CG1 C 19.0 0.1 1 606 . 63 VAL CG2 C 19.0 0.1 1 607 . 63 VAL N N 117.8 0.1 1 608 . 64 ASP H H 8.00 0.02 1 609 . 64 ASP HA H 5.37 0.02 1 610 . 64 ASP HB2 H 2.73 0.02 2 611 . 64 ASP HB3 H 2.21 0.02 2 612 . 64 ASP CA C 50.3 0.1 1 613 . 64 ASP CB C 39.8 0.1 1 614 . 64 ASP N N 124.3 0.1 1 615 . 65 PHE H H 9.07 0.02 1 616 . 65 PHE HA H 4.80 0.02 1 617 . 65 PHE HB2 H 3.44 0.02 2 618 . 65 PHE HB3 H 2.66 0.02 2 619 . 65 PHE HD1 H 7.18 0.02 1 620 . 65 PHE HD2 H 7.18 0.02 1 621 . 65 PHE HE1 H 6.53 0.02 1 622 . 65 PHE HE2 H 6.53 0.02 1 623 . 65 PHE HZ H 5.73 0.02 1 624 . 65 PHE CA C 54.9 0.1 1 625 . 65 PHE CB C 39.6 0.1 1 626 . 65 PHE N N 118.7 0.1 1 627 . 66 GLU H H 10.25 0.02 1 628 . 66 GLU HA H 4.19 0.02 1 629 . 66 GLU HB2 H 2.04 0.02 1 630 . 66 GLU HB3 H 2.04 0.02 1 631 . 66 GLU HG2 H 2.27 0.02 1 632 . 66 GLU HG3 H 2.27 0.02 1 633 . 66 GLU CA C 55.7 0.1 1 634 . 66 GLU CB C 28.0 0.1 1 635 . 66 GLU CG C 33.5 0.1 1 636 . 66 GLU N N 119.0 0.1 1 637 . 67 SER H H 7.24 0.02 1 638 . 67 SER HA H 4.02 0.02 1 639 . 67 SER HB2 H 3.60 0.02 2 640 . 67 SER HB3 H 3.92 0.02 2 641 . 67 SER CA C 53.2 0.1 1 642 . 67 SER CB C 64.1 0.1 1 643 . 67 SER N N 107.7 0.1 1 644 . 68 ALA H H 7.79 0.02 1 645 . 68 ALA HA H 3.44 0.02 1 646 . 68 ALA HB H 1.18 0.02 1 647 . 68 ALA CA C 52.0 0.1 1 648 . 68 ALA CB C 14.9 0.1 1 649 . 68 ALA N N 122.7 0.1 1 650 . 69 GLU H H 8.36 0.02 1 651 . 69 GLU HA H 3.77 0.02 1 652 . 69 GLU HB2 H 1.90 0.02 2 653 . 69 GLU HB3 H 1.75 0.02 2 654 . 69 GLU HG2 H 2.26 0.02 2 655 . 69 GLU HG3 H 2.13 0.02 2 656 . 69 GLU CA C 57.7 0.1 1 657 . 69 GLU CB C 25.6 0.1 1 658 . 69 GLU CG C 33.7 0.1 1 659 . 69 GLU N N 117.5 0.1 1 660 . 70 ASP H H 7.60 0.02 1 661 . 70 ASP HA H 4.08 0.02 1 662 . 70 ASP HB2 H 2.63 0.02 2 663 . 70 ASP HB3 H 2.45 0.02 2 664 . 70 ASP CA C 54.5 0.1 1 665 . 70 ASP CB C 37.0 0.1 1 666 . 71 LEU H H 6.87 0.02 1 667 . 71 LEU HA H 2.77 0.02 1 668 . 71 LEU HB2 H 1.80 0.02 2 669 . 71 LEU HB3 H 1.31 0.02 2 670 . 71 LEU HG H 1.40 0.02 1 671 . 71 LEU HD1 H 0.92 0.02 2 672 . 71 LEU HD2 H 0.87 0.02 2 673 . 71 LEU CA C 56.0 0.1 1 674 . 71 LEU CB C 38.9 0.1 1 675 . 71 LEU CG C 23.8 0.1 1 676 . 71 LEU CD1 C 22.0 0.1 1 677 . 71 LEU CD2 C 22.0 0.1 1 678 . 71 LEU N N 119.7 0.1 1 679 . 72 GLU H H 7.90 0.02 1 680 . 72 GLU HA H 3.78 0.02 1 681 . 72 GLU HB2 H 1.88 0.02 1 682 . 72 GLU HB3 H 1.88 0.02 1 683 . 72 GLU HG2 H 2.26 0.02 1 684 . 72 GLU HG3 H 2.26 0.02 1 685 . 72 GLU CA C 56.3 0.1 1 686 . 72 GLU CB C 25.8 0.1 1 687 . 72 GLU CG C 32.8 0.1 1 688 . 72 GLU N N 116.2 0.1 1 689 . 73 LYS H H 7.56 0.02 1 690 . 73 LYS HA H 3.88 0.02 1 691 . 73 LYS HB2 H 1.82 0.02 2 692 . 73 LYS HB3 H 1.78 0.02 2 693 . 73 LYS HG2 H 1.55 0.02 2 694 . 73 LYS HG3 H 1.33 0.02 2 695 . 73 LYS HD2 H 1.62 0.02 1 696 . 73 LYS HD3 H 1.62 0.02 1 697 . 73 LYS HE2 H 2.88 0.02 1 698 . 73 LYS HE3 H 2.88 0.02 1 699 . 73 LYS CA C 56.6 0.1 1 700 . 73 LYS CB C 29.4 0.1 1 701 . 73 LYS CG C 22.4 0.1 1 702 . 73 LYS CD C 26.1 0.1 1 703 . 73 LYS CE C 39.3 0.1 1 704 . 73 LYS N N 118.8 0.1 1 705 . 74 ALA H H 7.99 0.02 1 706 . 74 ALA HA H 3.74 0.02 1 707 . 74 ALA HB H 0.96 0.02 1 708 . 74 ALA CA C 52.5 0.1 1 709 . 74 ALA CB C 16.3 0.1 1 710 . 74 ALA N N 122.4 0.1 1 711 . 75 LEU H H 7.32 0.02 1 712 . 75 LEU HA H 3.90 0.02 1 713 . 75 LEU HB2 H 1.80 0.02 2 714 . 75 LEU HB3 H 1.56 0.02 2 715 . 75 LEU HG H 1.72 0.02 1 716 . 75 LEU HD1 H 0.87 0.02 2 717 . 75 LEU HD2 H 0.80 0.02 2 718 . 75 LEU CA C 54.2 0.1 1 719 . 75 LEU CB C 39.4 0.1 1 720 . 75 LEU CG C 24.1 0.1 1 721 . 75 LEU CD1 C 22.9 0.1 2 722 . 75 LEU CD2 C 20.4 0.1 2 723 . 75 LEU N N 113.3 0.1 1 724 . 76 GLU H H 7.28 0.02 1 725 . 76 GLU HA H 4.23 0.02 1 726 . 76 GLU HB2 H 2.16 0.02 2 727 . 76 GLU HB3 H 1.97 0.02 2 728 . 76 GLU HG2 H 2.47 0.02 1 729 . 76 GLU HG3 H 2.47 0.02 1 730 . 76 GLU CA C 54.1 0.1 1 731 . 76 GLU CB C 27.5 0.1 1 732 . 76 GLU CG C 33.2 0.1 1 733 . 76 GLU N N 115.5 0.1 1 734 . 77 LEU H H 7.33 0.02 1 735 . 77 LEU HA H 4.29 0.02 1 736 . 77 LEU HB2 H 2.03 0.02 2 737 . 77 LEU HB3 H 1.30 0.02 2 738 . 77 LEU HG H 1.13 0.02 1 739 . 77 LEU HD1 H 0.92 0.02 2 740 . 77 LEU HD2 H 0.82 0.02 2 741 . 77 LEU CA C 53.2 0.1 1 742 . 77 LEU CB C 39.1 0.1 1 743 . 77 LEU CG C 23.4 0.1 1 744 . 77 LEU CD1 C 22.9 0.1 2 745 . 77 LEU CD2 C 21.8 0.1 2 746 . 77 LEU N N 119.4 0.1 1 747 . 78 THR H H 8.10 0.02 1 748 . 78 THR HA H 4.59 0.02 1 749 . 78 THR HB H 4.15 0.02 1 750 . 78 THR HG2 H 1.17 0.02 1 751 . 78 THR CA C 58.0 0.1 1 752 . 78 THR CB C 68.1 0.1 1 753 . 78 THR CG2 C 18.3 0.1 1 754 . 78 THR N N 111.8 0.1 1 755 . 79 GLY H H 8.65 0.02 1 756 . 79 GLY HA2 H 3.88 0.02 2 757 . 79 GLY HA3 H 3.78 0.02 2 758 . 79 GLY CA C 44.2 0.1 1 759 . 79 GLY N N 109.6 0.1 1 760 . 80 LEU H H 8.06 0.02 1 761 . 80 LEU HA H 4.12 0.02 1 762 . 80 LEU HB2 H 1.79 0.02 2 763 . 80 LEU HB3 H 1.02 0.02 2 764 . 80 LEU HG H 1.38 0.02 1 765 . 80 LEU HD1 H 0.71 0.02 2 766 . 80 LEU HD2 H 0.60 0.02 2 767 . 80 LEU CA C 52.6 0.1 1 768 . 80 LEU CB C 38.9 0.1 1 769 . 80 LEU CG C 23.3 0.1 1 770 . 80 LEU CD1 C 22.8 0.1 2 771 . 80 LEU CD2 C 18.8 0.1 2 772 . 80 LEU N N 118.8 0.1 1 773 . 81 LYS H H 7.98 0.02 1 774 . 81 LYS HA H 5.11 0.02 1 775 . 81 LYS HB2 H 1.48 0.02 2 776 . 81 LYS HB3 H 1.22 0.02 2 777 . 81 LYS HG2 H 1.25 0.02 2 778 . 81 LYS HG3 H 0.94 0.02 2 779 . 81 LYS HD2 H 1.45 0.02 1 780 . 81 LYS HD3 H 1.45 0.02 1 781 . 81 LYS HE2 H 2.80 0.02 1 782 . 81 LYS HE3 H 2.80 0.02 1 783 . 81 LYS CA C 52.4 0.1 1 784 . 81 LYS CB C 33.2 0.1 1 785 . 81 LYS CG C 22.0 0.1 1 786 . 81 LYS CD C 26.5 0.1 1 787 . 81 LYS CE C 39.0 0.1 1 788 . 81 LYS N N 120.6 0.1 1 789 . 82 VAL H H 8.37 0.02 1 790 . 82 VAL HA H 3.83 0.02 1 791 . 82 VAL HB H 1.57 0.02 1 792 . 82 VAL HG1 H 0.59 0.02 2 793 . 82 VAL HG2 H 0.61 0.02 2 794 . 82 VAL CA C 58.8 0.1 1 795 . 82 VAL CB C 31.3 0.1 1 796 . 82 VAL CG1 C 19.3 0.1 1 797 . 82 VAL CG2 C 19.3 0.1 1 798 . 82 VAL N N 118.3 0.1 1 799 . 83 PHE H H 9.34 0.02 1 800 . 83 PHE HA H 4.33 0.02 1 801 . 83 PHE HB2 H 3.34 0.02 1 802 . 83 PHE HB3 H 2.83 0.02 1 803 . 83 PHE HD1 H 7.15 0.02 1 804 . 83 PHE HD2 H 7.15 0.02 1 805 . 83 PHE HE1 H 7.31 0.02 1 806 . 83 PHE HE2 H 7.31 0.02 1 807 . 83 PHE HZ H 7.11 0.02 1 808 . 83 PHE CA C 56.4 0.1 1 809 . 83 PHE CB C 34.1 0.1 1 810 . 83 PHE N N 126.7 0.1 1 811 . 84 GLY H H 8.57 0.02 1 812 . 84 GLY HA2 H 4.20 0.02 2 813 . 84 GLY HA3 H 3.47 0.02 2 814 . 84 GLY CA C 43.2 0.1 1 815 . 84 GLY N N 102.6 0.1 1 816 . 85 ASN H H 7.72 0.02 1 817 . 85 ASN HA H 4.85 0.02 1 818 . 85 ASN HB2 H 2.80 0.02 2 819 . 85 ASN HB3 H 2.85 0.02 2 820 . 85 ASN HD21 H 6.97 0.02 1 821 . 85 ASN HD22 H 6.63 0.02 1 822 . 85 ASN CA C 49.1 0.1 1 823 . 85 ASN CB C 36.1 0.1 1 824 . 85 ASN N N 119.9 0.1 1 825 . 85 ASN ND2 N 108.5 0.1 1 826 . 86 GLU H H 8.95 0.02 1 827 . 86 GLU HA H 4.43 0.02 1 828 . 86 GLU HB2 H 1.85 0.02 1 829 . 86 GLU HB3 H 1.85 0.02 1 830 . 86 GLU HG2 H 2.13 0.02 1 831 . 86 GLU HG3 H 2.13 0.02 1 832 . 86 GLU CA C 54.2 0.1 1 833 . 86 GLU CB C 26.2 0.1 1 834 . 86 GLU CG C 33.2 0.1 1 835 . 86 GLU N N 122.5 0.1 1 836 . 87 ILE H H 7.93 0.02 1 837 . 87 ILE HA H 4.62 0.02 1 838 . 87 ILE HB H 1.87 0.02 1 839 . 87 ILE HG12 H 1.65 0.02 1 840 . 87 ILE HG13 H 1.65 0.02 1 841 . 87 ILE HG2 H 0.73 0.02 1 842 . 87 ILE HD1 H 0.61 0.02 1 843 . 87 ILE CA C 58.0 0.1 1 844 . 87 ILE CB C 36.5 0.1 1 845 . 87 ILE CG1 C 26.1 0.1 1 846 . 87 ILE CG2 C 17.2 0.1 1 847 . 87 ILE CD1 C 11.4 0.1 1 848 . 87 ILE N N 121.8 0.1 1 849 . 88 LYS H H 7.69 0.02 1 850 . 88 LYS HA H 4.66 0.02 1 851 . 88 LYS HB2 H 1.71 0.02 2 852 . 88 LYS HB3 H 1.60 0.02 2 853 . 88 LYS HG2 H 1.36 0.02 2 854 . 88 LYS HG3 H 1.31 0.02 2 855 . 88 LYS HD2 H 1.70 0.02 1 856 . 88 LYS HD3 H 1.70 0.02 1 857 . 88 LYS HE2 H 2.94 0.02 1 858 . 88 LYS HE3 H 2.94 0.02 1 859 . 88 LYS CA C 52.1 0.1 1 860 . 88 LYS CB C 32.1 0.1 1 861 . 88 LYS CG C 22.3 0.1 1 862 . 88 LYS CD C 26.5 0.1 1 863 . 88 LYS CE C 39.0 0.1 1 864 . 88 LYS N N 121.0 0.1 1 865 . 89 LEU H H 8.74 0.02 1 866 . 89 LEU HA H 5.54 0.02 1 867 . 89 LEU HB2 H 1.78 0.02 2 868 . 89 LEU HB3 H 1.40 0.02 2 869 . 89 LEU HG H 1.64 0.02 1 870 . 89 LEU HD1 H 0.96 0.02 1 871 . 89 LEU HD2 H 0.96 0.02 1 872 . 89 LEU CA C 51.0 0.1 1 873 . 89 LEU CB C 41.3 0.1 1 874 . 89 LEU CG C 24.4 0.1 1 875 . 89 LEU CD1 C 22.6 0.1 1 876 . 89 LEU CD2 C 22.1 0.1 1 877 . 89 LEU N N 125.2 0.1 1 878 . 90 GLU H H 9.04 0.02 1 879 . 90 GLU HA H 4.66 0.02 1 880 . 90 GLU HB2 H 1.82 0.02 1 881 . 90 GLU HB3 H 1.82 0.02 1 882 . 90 GLU HG2 H 2.19 0.02 2 883 . 90 GLU HG3 H 2.06 0.02 2 884 . 90 GLU CA C 52.2 0.1 1 885 . 90 GLU CB C 31.9 0.1 1 886 . 90 GLU CG C 32.4 0.1 1 887 . 90 GLU N N 118.4 0.1 1 888 . 91 LYS H H 9.04 0.02 1 889 . 91 LYS HA H 4.68 0.02 1 890 . 91 LYS HB2 H 1.93 0.02 2 891 . 91 LYS HB3 H 1.68 0.02 2 892 . 91 LYS HG2 H 1.66 0.02 2 893 . 91 LYS HG3 H 1.50 0.02 2 894 . 91 LYS HD2 H 1.71 0.02 1 895 . 91 LYS HD3 H 1.71 0.02 1 896 . 91 LYS HE2 H 2.92 0.02 1 897 . 91 LYS HE3 H 2.92 0.02 1 898 . 91 LYS CA C 53.0 0.1 1 899 . 91 LYS CB C 29.3 0.1 1 900 . 91 LYS CG C 23.3 0.1 1 901 . 91 LYS CD C 26.1 0.1 1 902 . 91 LYS CE C 39.0 0.1 1 903 . 91 LYS N N 123.8 0.1 1 904 . 92 PRO HA H 4.40 0.02 1 905 . 92 PRO HB2 H 2.40 0.02 2 906 . 92 PRO HB3 H 1.99 0.02 2 907 . 92 PRO HG2 H 2.24 0.02 2 908 . 92 PRO HG3 H 2.03 0.02 2 909 . 92 PRO HD2 H 4.32 0.02 2 910 . 92 PRO HD3 H 3.86 0.02 2 911 . 92 PRO CA C 60.3 0.1 1 912 . 92 PRO CB C 29.3 0.1 1 913 . 92 PRO CG C 25.0 0.1 1 914 . 92 PRO CD C 48.4 0.1 1 915 . 93 LYS H H 8.53 0.02 1 916 . 93 LYS HA H 4.25 0.02 1 917 . 93 LYS HB2 H 1.70 0.02 1 918 . 93 LYS HB3 H 1.70 0.02 1 919 . 93 LYS HG2 H 1.38 0.02 1 920 . 93 LYS HG3 H 1.38 0.02 1 921 . 93 LYS HD2 H 1.59 0.02 1 922 . 93 LYS HD3 H 1.59 0.02 1 923 . 93 LYS HE2 H 2.92 0.02 1 924 . 93 LYS HE3 H 2.92 0.02 1 925 . 93 LYS CA C 53.5 0.1 1 926 . 93 LYS CB C 30.0 0.1 1 927 . 93 LYS CG C 21.3 0.1 1 928 . 93 LYS CD C 26.0 0.1 1 929 . 93 LYS CE C 39.2 0.1 1 930 . 93 LYS N N 121.8 0.1 1 931 . 94 GLY H H 8.43 0.02 1 932 . 94 GLY HA2 H 3.89 0.02 1 933 . 94 GLY HA3 H 3.89 0.02 1 934 . 94 GLY CA C 43.0 0.1 1 935 . 94 GLY N N 109.3 0.1 1 936 . 95 ARG H H 8.31 0.02 1 937 . 95 ARG HA H 4.27 0.02 1 938 . 95 ARG HB2 H 1.70 0.02 1 939 . 95 ARG HB3 H 1.70 0.02 1 940 . 95 ARG HG2 H 1.53 0.02 1 941 . 95 ARG HG3 H 1.53 0.02 1 942 . 95 ARG HD2 H 3.03 0.02 1 943 . 95 ARG HD3 H 3.03 0.02 1 944 . 95 ARG CA C 53.5 0.1 1 945 . 95 ARG CB C 27.7 0.1 1 946 . 95 ARG CG C 23.9 0.1 1 947 . 95 ARG CD C 40.3 0.1 1 948 . 95 ARG N N 120.0 0.1 1 949 . 96 ASP H H 8.40 0.02 1 950 . 96 ASP HA H 4.54 0.02 1 951 . 96 ASP HB2 H 2.61 0.02 1 952 . 96 ASP HB3 H 2.61 0.02 1 953 . 96 ASP CA C 52.0 0.1 1 954 . 96 ASP CB C 37.9 0.1 1 955 . 96 ASP N N 120.6 0.1 1 956 . 97 GLY H H 8.36 0.02 1 957 . 97 GLY HA2 H 3.89 0.02 1 958 . 97 GLY HA3 H 3.89 0.02 1 959 . 97 GLY CA C 43.5 0.1 1 960 . 97 GLY N N 109.0 0.1 1 961 . 98 THR H H 8.09 0.02 1 962 . 98 THR HA H 4.25 0.02 1 963 . 98 THR HB H 4.23 0.02 1 964 . 98 THR HG2 H 1.10 0.02 1 965 . 98 THR CA C 59.7 0.1 1 966 . 98 THR CB C 66.9 0.1 1 967 . 98 THR CG2 C 18.5 0.1 1 968 . 98 THR N N 112.7 0.1 1 969 . 99 ARG H H 8.32 0.02 1 970 . 99 ARG HA H 4.25 0.02 1 971 . 99 ARG HB2 H 1.73 0.02 1 972 . 99 ARG HB3 H 1.73 0.02 1 973 . 99 ARG HG2 H 1.70 0.02 1 974 . 99 ARG HG3 H 1.70 0.02 1 975 . 99 ARG HD2 H 3.10 0.02 1 976 . 99 ARG HD3 H 3.10 0.02 1 977 . 99 ARG CA C 54.6 0.1 1 978 . 99 ARG CB C 27.6 0.1 1 979 . 99 ARG CG C 25.4 0.1 1 980 . 99 ARG CD C 40.7 0.1 1 981 . 99 ARG N N 122.1 0.1 1 982 . 100 GLY H H 8.45 0.02 1 983 . 100 GLY HA2 H 3.89 0.02 1 984 . 100 GLY HA3 H 3.89 0.02 1 985 . 100 GLY CA C 43.0 0.1 1 986 . 100 GLY N N 109.9 0.1 1 987 . 101 CYS H H 7.84 0.02 1 988 . 101 CYS HA H 4.30 0.02 1 989 . 101 CYS HB2 H 2.85 0.02 1 990 . 101 CYS HB3 H 2.85 0.02 1 991 . 101 CYS CA C 54.5 0.1 1 992 . 101 CYS CB C 40.0 0.1 1 993 . 101 CYS N N 121.9 0.1 1 stop_ save_