data_4863 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF NUCLEOLIN RBD2 ; _BMRB_accession_number 4863 _BMRB_flat_file_name bmr4863.str _Entry_type original _Submission_date 2000-10-17 _Accession_date 2000-10-17 _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" 495 "13C chemical shifts" 252 "15N chemical shifts" 95 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_rbd2 _Saveframe_category molecular_system _Mol_system_name 'NUCLEOLIN RBD2' _Abbreviation_common 'nucleolin rbd2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NUCLEOLIN RBD2' $rbd2 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_rbd2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'NUCLEOLIN RBD2' _Abbreviation_common rbd2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; SHMLEDPCTSKKVRAARTLL AKNLSFNITEDELKEVFEDA LEIRLVSQDGKSKGIAYIEF KSEADAEKNLEEKQGAEIDG RSVSLYYTGEKGGTRG ; loop_ _Residue_seq_code _Residue_label 1 SER 2 HIS 3 MET 4 LEU 5 GLU 6 ASP 7 PRO 8 CYS 9 THR 10 SER 11 LYS 12 LYS 13 VAL 14 ARG 15 ALA 16 ALA 17 ARG 18 THR 19 LEU 20 LEU 21 ALA 22 LYS 23 ASN 24 LEU 25 SER 26 PHE 27 ASN 28 ILE 29 THR 30 GLU 31 ASP 32 GLU 33 LEU 34 LYS 35 GLU 36 VAL 37 PHE 38 GLU 39 ASP 40 ALA 41 LEU 42 GLU 43 ILE 44 ARG 45 LEU 46 VAL 47 SER 48 GLN 49 ASP 50 GLY 51 LYS 52 SER 53 LYS 54 GLY 55 ILE 56 ALA 57 TYR 58 ILE 59 GLU 60 PHE 61 LYS 62 SER 63 GLU 64 ALA 65 ASP 66 ALA 67 GLU 68 LYS 69 ASN 70 LEU 71 GLU 72 GLU 73 LYS 74 GLN 75 GLY 76 ALA 77 GLU 78 ILE 79 ASP 80 GLY 81 ARG 82 SER 83 VAL 84 SER 85 LEU 86 TYR 87 TYR 88 THR 89 GLY 90 GLU 91 LYS 92 GLY 93 GLY 94 THR 95 ARG 96 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1FJC "Solution Structure Of Nucleolin Rbd2" 100.00 96 100.00 100.00 2.41e-61 GB EGW00584 "Nucleolin [Cricetulus griseus]" 86.46 479 100.00 100.00 3.08e-47 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rbd2 '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 $rbd2 'recombinant technology' . Escherichia coli . BL21(DE3) 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 $rbd2 1 mM '[U-15N; U-13C]' 'potassium phosphate' 50 mM . KCl 100 mM . DTT 5 mM [U-2H] H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rbd2 1 mM '[U-15N; U-13C]' 'potassium phosphate' 50 mM . KCl 100 mM . DTT 5 mM [U-2H] D2O 100 % . 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 500 _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 1.0 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 RBD2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 6 ASP H H 8.38 0.01 1 2 . 6 ASP HA H 4.80 0.01 1 3 . 6 ASP HB2 H 2.71 0.01 2 4 . 6 ASP HB3 H 2.51 0.01 2 5 . 6 ASP CA C 51.9 0.1 1 6 . 6 ASP CB C 38.9 0.1 1 7 . 6 ASP N N 123.0 0.1 1 8 . 7 PRO HA H 4.39 0.01 1 9 . 7 PRO CA C 61.0 0.1 1 10 . 8 CYS H H 8.50 0.01 1 11 . 8 CYS HA H 4.26 0.01 1 12 . 8 CYS CA C 57.0 0.1 1 13 . 8 CYS N N 114.5 0.1 1 14 . 9 THR H H 7.86 0.01 1 15 . 9 THR HA H 4.17 0.01 1 16 . 9 THR HB H 4.20 0.01 1 17 . 9 THR HG2 H 1.16 0.01 1 18 . 9 THR CA C 60.3 0.1 1 19 . 9 THR CB C 66.2 0.1 1 20 . 9 THR CG2 C 18.7 0.1 1 21 . 9 THR N N 115.4 0.1 1 22 . 10 SER H H 8.09 0.01 1 23 . 10 SER HA H 4.28 0.01 1 24 . 10 SER HB2 H 3.96 0.01 1 25 . 10 SER HB3 H 3.85 0.01 1 26 . 10 SER CA C 56.2 0.1 1 27 . 10 SER CB C 60.5 0.1 1 28 . 10 SER N N 117.6 0.1 1 29 . 11 LYS H H 8.32 0.01 1 30 . 11 LYS HA H 4.06 0.01 1 31 . 11 LYS HB2 H 1.80 0.01 1 32 . 11 LYS HB3 H 1.80 0.01 1 33 . 11 LYS HG2 H 1.48 0.01 1 34 . 11 LYS HG3 H 1.48 0.01 1 35 . 11 LYS CA C 55.7 0.1 1 36 . 11 LYS CB C 29.5 0.1 1 37 . 11 LYS CG C 22.4 0.1 1 38 . 11 LYS N N 122.5 0.1 1 39 . 12 LYS H H 8.11 0.01 1 40 . 12 LYS HA H 4.08 0.01 1 41 . 12 LYS HB2 H 1.80 0.01 1 42 . 12 LYS HB3 H 1.80 0.01 1 43 . 12 LYS CA C 55.8 0.1 1 44 . 12 LYS CB C 29.6 0.1 1 45 . 12 LYS N N 121.0 0.1 1 46 . 13 VAL H H 7.87 0.01 1 47 . 13 VAL HA H 3.77 0.01 1 48 . 13 VAL HB H 2.04 0.01 1 49 . 13 VAL HG1 H 0.96 0.01 2 50 . 13 VAL HG2 H 0.89 0.01 2 51 . 13 VAL CA C 62.0 0.1 1 52 . 13 VAL CB C 28.8 0.1 1 53 . 13 VAL CG1 C 19.1 0.1 2 54 . 13 VAL CG2 C 18.0 0.1 2 55 . 13 VAL N N 120.3 0.1 1 56 . 14 ARG H H 8.03 0.01 1 57 . 14 ARG HA H 3.91 0.01 1 58 . 14 ARG HB2 H 1.78 0.01 2 59 . 14 ARG HB3 H 1.65 0.01 2 60 . 14 ARG HD2 H 3.01 0.01 1 61 . 14 ARG HD3 H 3.01 0.01 1 62 . 14 ARG HE H 7.71 0.01 1 63 . 14 ARG CA C 55.9 0.1 1 64 . 14 ARG CB C 26.9 0.1 1 65 . 14 ARG N N 119.3 0.1 1 66 . 15 ALA H H 8.23 0.01 1 67 . 15 ALA HA H 3.88 0.01 1 68 . 15 ALA HB H 1.37 0.01 1 69 . 15 ALA CA C 52.0 0.1 1 70 . 15 ALA CB C 15.5 0.1 1 71 . 15 ALA N N 123.5 0.1 1 72 . 16 ALA H H 7.53 0.01 1 73 . 16 ALA HA H 4.22 0.01 1 74 . 16 ALA HB H 1.46 0.01 1 75 . 16 ALA CA C 50.8 0.1 1 76 . 16 ALA CB C 15.4 0.1 1 77 . 16 ALA N N 117.7 0.1 1 78 . 17 ARG H H 7.51 0.01 1 79 . 17 ARG HA H 4.61 0.01 1 80 . 17 ARG HB2 H 1.64 0.01 1 81 . 17 ARG HB3 H 1.64 0.01 1 82 . 17 ARG HG2 H 1.84 0.01 1 83 . 17 ARG HG3 H 1.84 0.01 1 84 . 17 ARG HD2 H 2.95 0.01 1 85 . 17 ARG HD3 H 2.95 0.01 1 86 . 17 ARG HE H 7.45 0.01 1 87 . 17 ARG CA C 51.8 0.1 1 88 . 17 ARG CB C 27.3 0.1 1 89 . 17 ARG CG C 23.3 0.1 1 90 . 17 ARG CD C 41.2 0.1 1 91 . 17 ARG N N 112.5 0.1 1 92 . 18 THR H H 7.68 0.01 1 93 . 18 THR HA H 5.50 0.01 1 94 . 18 THR HB H 4.00 0.01 1 95 . 18 THR HG2 H 1.17 0.01 1 96 . 18 THR CA C 59.2 0.1 1 97 . 18 THR CB C 67.3 0.1 1 98 . 18 THR CG2 C 18.7 0.1 1 99 . 18 THR N N 117.2 0.1 1 100 . 19 LEU H H 9.44 0.01 1 101 . 19 LEU HA H 5.25 0.01 1 102 . 19 LEU HB2 H 1.59 0.01 2 103 . 19 LEU HB3 H 1.34 0.01 2 104 . 19 LEU HG H 1.83 0.01 1 105 . 19 LEU HD1 H 0.80 0.01 2 106 . 19 LEU HD2 H 0.77 0.01 2 107 . 19 LEU CA C 49.5 0.1 1 108 . 19 LEU CB C 42.1 0.1 1 109 . 19 LEU CG C 24.4 0.1 1 110 . 19 LEU CD1 C 23.3 0.1 1 111 . 19 LEU CD2 C 21.1 0.1 1 112 . 19 LEU N N 124.0 0.1 1 113 . 20 LEU H H 9.15 0.01 1 114 . 20 LEU HA H 4.65 0.01 1 115 . 20 LEU HB2 H 1.57 0.01 2 116 . 20 LEU HB3 H 1.10 0.01 2 117 . 20 LEU HG H 1.11 0.01 1 118 . 20 LEU HD1 H 0.56 0.01 2 119 . 20 LEU HD2 H 0.26 0.01 2 120 . 20 LEU CA C 50.5 0.1 1 121 . 20 LEU CB C 41.5 0.1 1 122 . 20 LEU CG C 24.5 0.1 1 123 . 20 LEU CD1 C 23.2 0.1 2 124 . 20 LEU CD2 C 20.1 0.1 2 125 . 20 LEU N N 123.4 0.1 1 126 . 21 ALA H H 9.30 0.01 1 127 . 21 ALA HA H 5.36 0.01 1 128 . 21 ALA HB H 1.10 0.01 1 129 . 21 ALA CA C 46.8 0.1 1 130 . 21 ALA CB C 18.1 0.1 1 131 . 21 ALA N N 128.3 0.1 1 132 . 22 LYS H H 9.22 0.01 1 133 . 22 LYS HA H 5.05 0.01 1 134 . 22 LYS HB2 H 2.03 0.01 2 135 . 22 LYS HB3 H 1.80 0.01 2 136 . 22 LYS HG2 H 1.40 0.01 1 137 . 22 LYS HG3 H 1.40 0.01 1 138 . 22 LYS CA C 51.3 0.1 1 139 . 22 LYS CB C 33.0 0.1 1 140 . 22 LYS CG C 23.3 0.1 1 141 . 22 LYS N N 118.5 0.1 1 142 . 23 ASN H H 8.81 0.01 1 143 . 23 ASN HA H 4.36 0.01 1 144 . 23 ASN HB2 H 3.67 0.01 1 145 . 23 ASN HB3 H 2.54 0.01 1 146 . 23 ASN HD21 H 8.23 0.01 1 147 . 23 ASN HD22 H 6.93 0.01 1 148 . 23 ASN CA C 51.2 0.1 1 149 . 23 ASN CB C 35.4 0.1 1 150 . 23 ASN N N 114.4 0.1 1 151 . 23 ASN ND2 N 112.6 0.1 1 152 . 24 LEU H H 7.66 0.01 1 153 . 24 LEU HA H 4.18 0.01 1 154 . 24 LEU HB2 H 1.21 0.01 1 155 . 24 LEU HB3 H 1.21 0.01 1 156 . 24 LEU HG H 1.26 0.01 1 157 . 24 LEU HD1 H 0.72 0.01 2 158 . 24 LEU HD2 H 0.50 0.01 2 159 . 24 LEU CA C 50.8 0.1 1 160 . 24 LEU CB C 39.3 0.1 1 161 . 24 LEU CG C 23.6 0.1 1 162 . 24 LEU CD1 C 20.8 0.1 2 163 . 24 LEU CD2 C 24.5 0.1 2 164 . 24 LEU N N 114.7 0.1 1 165 . 25 SER H H 9.07 0.01 1 166 . 25 SER HA H 4.09 0.01 1 167 . 25 SER HB2 H 3.74 0.01 2 168 . 25 SER HB3 H 4.06 0.01 2 169 . 25 SER CA C 54.5 0.1 1 170 . 25 SER CB C 60.8 0.1 1 171 . 25 SER N N 115.8 0.1 1 172 . 26 PHE H H 8.70 0.01 1 173 . 26 PHE HA H 4.42 0.01 1 174 . 26 PHE HB2 H 3.34 0.01 1 175 . 26 PHE HB3 H 2.99 0.01 1 176 . 26 PHE HD1 H 7.19 0.01 1 177 . 26 PHE HD2 H 7.19 0.01 1 178 . 26 PHE HE1 H 7.26 0.01 1 179 . 26 PHE HE2 H 7.26 0.01 1 180 . 26 PHE HZ H 6.96 0.01 1 181 . 26 PHE CA C 55.4 0.1 1 182 . 26 PHE CB C 34.6 0.1 1 183 . 26 PHE N N 123.3 0.1 1 184 . 27 ASN H H 8.05 0.01 1 185 . 27 ASN HA H 4.81 0.01 1 186 . 27 ASN HB2 H 2.79 0.01 2 187 . 27 ASN HB3 H 2.60 0.01 2 188 . 27 ASN HD21 H 7.81 0.01 1 189 . 27 ASN HD22 H 6.97 0.01 1 190 . 27 ASN CA C 49.7 0.1 1 191 . 27 ASN CB C 36.0 0.1 1 192 . 27 ASN N N 114.4 0.1 1 193 . 27 ASN ND2 N 113.5 0.1 1 194 . 28 ILE H H 6.97 0.01 1 195 . 28 ILE HA H 4.31 0.01 1 196 . 28 ILE HB H 1.90 0.01 1 197 . 28 ILE HG12 H 1.56 0.01 2 198 . 28 ILE HG13 H 1.32 0.01 2 199 . 28 ILE HG2 H 0.84 0.01 1 200 . 28 ILE HD1 H 0.84 0.01 1 201 . 28 ILE CA C 57.3 0.1 1 202 . 28 ILE CB C 35.6 0.1 1 203 . 28 ILE CG1 C 25.8 0.1 1 204 . 28 ILE CG2 C 15.3 0.1 1 205 . 28 ILE CD1 C 11.4 0.1 1 206 . 28 ILE N N 120.0 0.1 1 207 . 29 THR H H 7.85 0.01 1 208 . 29 THR HA H 4.68 0.01 1 209 . 29 THR HB H 4.62 0.01 1 210 . 29 THR HG2 H 1.24 0.01 1 211 . 29 THR CA C 56.6 0.1 1 212 . 29 THR CB C 70.1 0.1 1 213 . 29 THR CG2 C 18.5 0.1 1 214 . 29 THR N N 114.5 0.1 1 215 . 30 GLU H H 9.47 0.01 1 216 . 30 GLU HA H 3.66 0.01 1 217 . 30 GLU HB2 H 2.05 0.01 1 218 . 30 GLU HB3 H 1.94 0.01 1 219 . 30 GLU HG2 H 2.22 0.01 1 220 . 30 GLU HG3 H 2.22 0.01 1 221 . 30 GLU CA C 57.5 0.1 1 222 . 30 GLU CB C 26.3 0.1 1 223 . 30 GLU CG C 34.3 0.1 1 224 . 30 GLU N N 120.1 0.1 1 225 . 31 ASP H H 8.28 0.01 1 226 . 31 ASP HA H 4.29 0.01 1 227 . 31 ASP HB2 H 2.58 0.01 2 228 . 31 ASP HB3 H 2.46 0.01 2 229 . 31 ASP CA C 54.5 0.1 1 230 . 31 ASP CB C 37.1 0.1 1 231 . 31 ASP N N 116.4 0.1 1 232 . 32 GLU H H 7.64 0.01 1 233 . 32 GLU HA H 4.01 0.01 1 234 . 32 GLU HB2 H 2.24 0.01 2 235 . 32 GLU HB3 H 1.85 0.01 2 236 . 32 GLU HG2 H 2.24 0.01 1 237 . 32 GLU HG3 H 2.24 0.01 1 238 . 32 GLU CA C 56.1 0.1 1 239 . 32 GLU CB C 26.6 0.1 1 240 . 32 GLU CG C 33.9 0.1 1 241 . 32 GLU N N 119.4 0.1 1 242 . 33 LEU H H 7.71 0.01 1 243 . 33 LEU HA H 4.14 0.01 1 244 . 33 LEU HB2 H 2.02 0.01 2 245 . 33 LEU HB3 H 1.37 0.01 2 246 . 33 LEU HG H 1.73 0.01 1 247 . 33 LEU HD1 H 0.64 0.01 2 248 . 33 LEU HD2 H 0.85 0.01 2 249 . 33 LEU CA C 54.8 0.1 1 250 . 33 LEU CB C 39.7 0.1 1 251 . 33 LEU CG C 23.9 0.1 1 252 . 33 LEU CD1 C 23.0 0.1 1 253 . 33 LEU CD2 C 20.7 0.1 1 254 . 33 LEU N N 118.4 0.1 1 255 . 34 LYS H H 8.30 0.01 1 256 . 34 LYS HA H 3.80 0.01 1 257 . 34 LYS HB2 H 1.92 0.01 2 258 . 34 LYS HB3 H 1.80 0.01 2 259 . 34 LYS HE2 H 2.92 0.01 1 260 . 34 LYS HE3 H 2.92 0.01 1 261 . 34 LYS CA C 55.6 0.1 1 262 . 34 LYS CB C 29.3 0.1 1 263 . 34 LYS N N 120.8 0.1 1 264 . 35 GLU H H 7.08 0.01 1 265 . 35 GLU HA H 4.00 0.01 1 266 . 35 GLU HB2 H 2.05 0.01 1 267 . 35 GLU HB3 H 2.05 0.01 1 268 . 35 GLU HG2 H 2.40 0.01 2 269 . 35 GLU HG3 H 2.18 0.01 2 270 . 35 GLU CA C 55.4 0.1 1 271 . 35 GLU CB C 26.5 0.1 1 272 . 35 GLU CG C 33.0 0.1 1 273 . 35 GLU N N 114.4 0.1 1 274 . 36 VAL H H 6.88 0.01 1 275 . 36 VAL HA H 3.64 0.01 1 276 . 36 VAL HB H 1.73 0.01 1 277 . 36 VAL HG1 H 0.88 0.01 2 278 . 36 VAL HG2 H 0.07 0.01 2 279 . 36 VAL CA C 61.5 0.1 1 280 . 36 VAL CB C 29.5 0.1 1 281 . 36 VAL CG1 C 18.5 0.1 2 282 . 36 VAL CG2 C 16.9 0.1 2 283 . 36 VAL N N 116.7 0.1 1 284 . 37 PHE H H 8.23 0.01 1 285 . 37 PHE HA H 4.97 0.01 1 286 . 37 PHE HB2 H 2.81 0.01 2 287 . 37 PHE HB3 H 2.76 0.01 2 288 . 37 PHE HD1 H 7.46 0.01 1 289 . 37 PHE HD2 H 7.46 0.01 1 290 . 37 PHE HE1 H 6.97 0.01 1 291 . 37 PHE HE2 H 6.97 0.01 1 292 . 37 PHE HZ H 6.85 0.01 3 293 . 37 PHE CA C 52.5 0.1 1 294 . 37 PHE CB C 34.7 0.1 1 295 . 37 PHE N N 118.8 0.1 1 296 . 38 GLU H H 7.48 0.01 1 297 . 38 GLU HA H 4.22 0.01 1 298 . 38 GLU HB2 H 1.98 0.01 1 299 . 38 GLU HB3 H 1.98 0.01 1 300 . 38 GLU HG2 H 2.22 0.01 1 301 . 38 GLU HG3 H 2.22 0.01 1 302 . 38 GLU CA C 56.1 0.1 1 303 . 38 GLU CB C 26.8 0.1 1 304 . 38 GLU CG C 32.9 0.1 1 305 . 38 GLU N N 120.7 0.1 1 306 . 39 ASP H H 9.02 0.01 1 307 . 39 ASP HA H 4.68 0.01 1 308 . 39 ASP HB2 H 3.00 0.01 2 309 . 39 ASP HB3 H 2.76 0.01 2 310 . 39 ASP CA C 51.4 0.1 1 311 . 39 ASP CB C 37.6 0.1 1 312 . 39 ASP N N 115.5 0.1 1 313 . 40 ALA H H 7.77 0.01 1 314 . 40 ALA HA H 3.47 0.01 1 315 . 40 ALA HB H 0.84 0.01 1 316 . 40 ALA CA C 50.4 0.1 1 317 . 40 ALA CB C 15.2 0.1 1 318 . 40 ALA N N 121.4 0.1 1 319 . 41 LEU H H 9.10 0.01 1 320 . 41 LEU HA H 4.25 0.01 1 321 . 41 LEU HB2 H 1.38 0.01 2 322 . 41 LEU HB3 H 1.23 0.01 2 323 . 41 LEU HG H 1.40 0.01 1 324 . 41 LEU HD1 H 0.77 0.01 1 325 . 41 LEU HD2 H 0.77 0.01 1 326 . 41 LEU CA C 53.1 0.1 1 327 . 41 LEU CB C 40.5 0.1 1 328 . 41 LEU CG C 24.0 0.1 1 329 . 41 LEU CD1 C 20.5 0.1 1 330 . 41 LEU CD2 C 20.5 0.1 1 331 . 41 LEU N N 121.4 0.1 1 332 . 42 GLU H H 7.45 0.01 1 333 . 42 GLU HA H 4.39 0.01 1 334 . 42 GLU HB2 H 1.76 0.01 1 335 . 42 GLU HB3 H 1.76 0.01 1 336 . 42 GLU HG2 H 2.08 0.01 2 337 . 42 GLU HG3 H 1.99 0.01 2 338 . 42 GLU CA C 52.6 0.1 1 339 . 42 GLU CB C 30.6 0.1 1 340 . 42 GLU CG C 33.2 0.1 1 341 . 42 GLU N N 115.1 0.1 1 342 . 43 ILE H H 8.65 0.01 1 343 . 43 ILE HA H 4.58 0.01 1 344 . 43 ILE HB H 1.59 0.01 1 345 . 43 ILE HG12 H 1.36 0.01 2 346 . 43 ILE HG13 H 0.89 0.01 2 347 . 43 ILE HG2 H 0.66 0.01 1 348 . 43 ILE HD1 H 0.67 0.01 1 349 . 43 ILE CA C 57.5 0.1 1 350 . 43 ILE CB C 37.4 0.1 1 351 . 43 ILE CG1 C 24.9 0.1 1 352 . 43 ILE CG2 C 15.0 0.1 1 353 . 43 ILE CD1 C 10.6 0.1 1 354 . 43 ILE N N 124.4 0.1 1 355 . 44 ARG H H 8.97 0.01 1 356 . 44 ARG HA H 4.80 0.01 1 357 . 44 ARG HB2 H 1.82 0.01 2 358 . 44 ARG HB3 H 1.70 0.01 2 359 . 44 ARG HG2 H 1.42 0.01 1 360 . 44 ARG HG3 H 1.42 0.01 1 361 . 44 ARG HD2 H 3.03 0.01 2 362 . 44 ARG HD3 H 3.23 0.01 2 363 . 44 ARG HE H 7.33 0.01 1 364 . 44 ARG CA C 51.5 0.1 1 365 . 44 ARG CB C 29.4 0.1 1 366 . 44 ARG CG C 24.0 0.1 1 367 . 44 ARG N N 125.9 0.1 1 368 . 45 LEU H H 9.20 0.01 1 369 . 45 LEU HA H 4.46 0.01 1 370 . 45 LEU HB2 H 1.62 0.01 1 371 . 45 LEU HB3 H 1.41 0.01 1 372 . 45 LEU HG H 1.46 0.01 1 373 . 45 LEU HD1 H 0.80 0.01 2 374 . 45 LEU HD2 H 0.72 0.01 2 375 . 45 LEU CA C 51.9 0.1 1 376 . 45 LEU CB C 40.8 0.1 1 377 . 45 LEU CG C 24.5 0.1 1 378 . 45 LEU CD1 C 21.8 0.1 1 379 . 45 LEU CD2 C 21.8 0.1 1 380 . 45 LEU N N 126.2 0.1 1 381 . 46 VAL H H 8.40 0.01 1 382 . 46 VAL HA H 4.11 0.01 1 383 . 46 VAL HB H 1.91 0.01 1 384 . 46 VAL HG1 H 0.95 0.01 2 385 . 46 VAL HG2 H 0.90 0.01 2 386 . 46 VAL CA C 60.0 0.1 1 387 . 46 VAL CB C 29.1 0.1 1 388 . 46 VAL CG1 C 18.7 0.1 2 389 . 46 VAL CG2 C 18.1 0.1 2 390 . 46 VAL N N 125.9 0.1 1 391 . 47 SER H H 8.47 0.01 1 392 . 47 SER HA H 4.95 0.01 1 393 . 47 SER HB2 H 3.51 0.01 1 394 . 47 SER HB3 H 3.51 0.01 1 395 . 47 SER CA C 54.4 0.1 1 396 . 47 SER CB C 62.7 0.1 1 397 . 47 SER N N 121.3 0.1 1 398 . 48 GLN H H 8.74 0.01 1 399 . 48 GLN HA H 4.46 0.01 1 400 . 48 GLN HB2 H 1.90 0.01 1 401 . 48 GLN HB3 H 1.90 0.01 1 402 . 48 GLN HG2 H 2.22 0.01 1 403 . 48 GLN HG3 H 2.22 0.01 1 404 . 48 GLN HE21 H 7.58 0.01 1 405 . 48 GLN HE22 H 6.88 0.01 1 406 . 48 GLN CA C 52.1 0.1 1 407 . 48 GLN CB C 28.3 0.1 1 408 . 48 GLN CG C 31.0 0.1 1 409 . 48 GLN N N 121.3 0.1 1 410 . 48 GLN NE2 N 112.0 0.1 1 411 . 49 ASP H H 9.30 0.01 1 412 . 49 ASP HA H 4.36 0.01 1 413 . 49 ASP HB2 H 2.85 0.01 2 414 . 49 ASP HB3 H 2.67 0.01 2 415 . 49 ASP CA C 52.3 0.1 1 416 . 49 ASP CB C 37.0 0.1 1 417 . 49 ASP N N 125.3 0.1 1 418 . 50 GLY H H 8.58 0.01 1 419 . 50 GLY HA2 H 4.09 0.01 2 420 . 50 GLY HA3 H 3.59 0.01 2 421 . 50 GLY CA C 42.3 0.1 1 422 . 50 GLY N N 104.0 0.1 1 423 . 51 LYS H H 7.78 0.01 1 424 . 51 LYS HA H 4.57 0.01 1 425 . 51 LYS HB2 H 1.81 0.01 2 426 . 51 LYS HB3 H 1.72 0.01 2 427 . 51 LYS HG2 H 1.33 0.01 1 428 . 51 LYS HG3 H 1.33 0.01 1 429 . 51 LYS HE2 H 2.91 0.01 1 430 . 51 LYS HE3 H 2.91 0.01 1 431 . 51 LYS CA C 51.7 0.1 1 432 . 51 LYS CB C 31.2 0.1 1 433 . 51 LYS CG C 21.3 0.1 1 434 . 51 LYS N N 119.7 0.1 1 435 . 52 SER H H 8.62 0.01 1 436 . 52 SER HA H 4.38 0.01 1 437 . 52 SER HB2 H 4.05 0.01 1 438 . 52 SER HB3 H 3.96 0.01 1 439 . 52 SER CA C 55.4 0.1 1 440 . 52 SER CB C 61.2 0.1 1 441 . 52 SER N N 117.5 0.1 1 442 . 53 LYS H H 8.68 0.01 1 443 . 53 LYS HA H 4.38 0.01 1 444 . 53 LYS HB2 H 1.94 0.01 2 445 . 53 LYS HB3 H 1.49 0.01 2 446 . 53 LYS HG2 H 1.42 0.01 1 447 . 53 LYS HG3 H 1.42 0.01 1 448 . 53 LYS CA C 52.6 0.1 1 449 . 53 LYS CB C 29.6 0.1 1 450 . 53 LYS CG C 21.7 0.1 1 451 . 53 LYS N N 121.8 0.1 1 452 . 54 GLY H H 9.03 0.01 1 453 . 54 GLY HA2 H 3.93 0.01 2 454 . 54 GLY HA3 H 3.51 0.01 2 455 . 54 GLY CA C 43.6 0.1 1 456 . 54 GLY N N 109.0 0.1 1 457 . 55 ILE H H 6.97 0.01 1 458 . 55 ILE HA H 5.20 0.01 1 459 . 55 ILE HB H 1.42 0.01 1 460 . 55 ILE HG12 H 1.44 0.01 1 461 . 55 ILE HG13 H 1.44 0.01 1 462 . 55 ILE HG2 H 0.75 0.01 1 463 . 55 ILE HD1 H 0.79 0.01 1 464 . 55 ILE CA C 55.9 0.1 1 465 . 55 ILE CB C 39.9 0.1 1 466 . 55 ILE CG1 C 24.1 0.1 1 467 . 55 ILE CG2 C 14.7 0.1 1 468 . 55 ILE CD1 C 10.9 0.1 1 469 . 55 ILE N N 113.4 0.1 1 470 . 56 ALA H H 8.90 0.01 1 471 . 56 ALA HA H 5.16 0.01 1 472 . 56 ALA HB H 0.94 0.01 1 473 . 56 ALA CA C 47.1 0.1 1 474 . 56 ALA CB C 20.6 0.1 1 475 . 56 ALA N N 123.4 0.1 1 476 . 57 TYR H H 8.75 0.01 1 477 . 57 TYR HA H 5.04 0.01 1 478 . 57 TYR HB2 H 2.64 0.01 1 479 . 57 TYR HB3 H 2.64 0.01 1 480 . 57 TYR HD1 H 6.87 0.01 1 481 . 57 TYR HD2 H 6.87 0.01 1 482 . 57 TYR HE1 H 6.69 0.01 1 483 . 57 TYR HE2 H 6.69 0.01 1 484 . 57 TYR CA C 54.3 0.1 1 485 . 57 TYR CB C 37.1 0.1 1 486 . 57 TYR N N 118.3 0.1 1 487 . 58 ILE H H 9.27 0.01 1 488 . 58 ILE HA H 4.20 0.01 1 489 . 58 ILE HB H 1.41 0.01 1 490 . 58 ILE HG12 H 0.94 0.01 2 491 . 58 ILE HG13 H 0.45 0.01 2 492 . 58 ILE HG2 H -0.1 0.01 1 493 . 58 ILE HD1 H -0.07 0.01 1 494 . 58 ILE CA C 57.3 0.1 1 495 . 58 ILE CB C 36.1 0.1 1 496 . 58 ILE CG1 C 23.0 0.1 1 497 . 58 ILE CG2 C 16.9 0.1 1 498 . 58 ILE CD1 C 10.3 0.1 1 499 . 58 ILE N N 122.9 0.1 1 500 . 59 GLU H H 8.80 0.01 1 501 . 59 GLU HA H 4.77 0.01 1 502 . 59 GLU HB2 H 1.87 0.01 2 503 . 59 GLU HB3 H 1.75 0.01 2 504 . 59 GLU HG2 H 2.26 0.01 2 505 . 59 GLU HG3 H 1.81 0.01 2 506 . 59 GLU CA C 52.6 0.1 1 507 . 59 GLU CB C 28.7 0.1 1 508 . 59 GLU CG C 33.3 0.1 1 509 . 59 GLU N N 127.8 0.1 1 510 . 60 PHE H H 9.16 0.01 1 511 . 60 PHE HA H 4.52 0.01 1 512 . 60 PHE HB2 H 3.68 0.01 2 513 . 60 PHE HB3 H 3.12 0.01 2 514 . 60 PHE HD1 H 7.43 0.01 1 515 . 60 PHE HD2 H 7.43 0.01 1 516 . 60 PHE HE1 H 6.95 0.01 1 517 . 60 PHE HE2 H 6.95 0.01 1 518 . 60 PHE HZ H 6.85 0.01 1 519 . 60 PHE CA C 55.6 0.1 1 520 . 60 PHE CB C 37.9 0.1 1 521 . 60 PHE N N 124.4 0.1 1 522 . 61 LYS H H 10.34 0.01 1 523 . 61 LYS HA H 4.10 0.01 1 524 . 61 LYS HB2 H 1.97 0.01 1 525 . 61 LYS HB3 H 1.97 0.01 1 526 . 61 LYS HG2 H 1.50 0.01 1 527 . 61 LYS HG3 H 1.50 0.01 1 528 . 61 LYS HD2 H 1.71 0.01 1 529 . 61 LYS HD3 H 1.71 0.01 1 530 . 61 LYS CA C 55.3 0.1 1 531 . 61 LYS CB C 30.2 0.1 1 532 . 61 LYS CG C 23.6 0.1 1 533 . 61 LYS CD C 27.0 0.1 1 534 . 61 LYS N N 116.7 0.1 1 535 . 62 SER H H 7.52 0.01 1 536 . 62 SER HA H 4.66 0.01 1 537 . 62 SER HB2 H 4.21 0.01 2 538 . 62 SER HB3 H 3.91 0.01 2 539 . 62 SER CA C 53.0 0.1 1 540 . 62 SER CB C 63.8 0.1 1 541 . 62 SER N N 107.0 0.1 1 542 . 63 GLU H H 9.35 0.01 1 543 . 63 GLU HA H 4.11 0.01 1 544 . 63 GLU HB2 H 1.99 0.01 1 545 . 63 GLU HB3 H 1.99 0.01 1 546 . 63 GLU HG2 H 2.25 0.01 1 547 . 63 GLU HG3 H 2.32 0.01 1 548 . 63 GLU CA C 56.6 0.1 1 549 . 63 GLU CB C 26.0 0.1 1 550 . 63 GLU CG C 33.0 0.1 1 551 . 63 GLU N N 124.4 0.1 1 552 . 64 ALA H H 8.42 0.01 1 553 . 64 ALA HA H 4.08 0.01 1 554 . 64 ALA HB H 1.36 0.01 1 555 . 64 ALA CA C 52.1 0.1 1 556 . 64 ALA CB C 15.0 0.1 1 557 . 64 ALA N N 120.6 0.1 1 558 . 65 ASP H H 7.97 0.01 1 559 . 65 ASP HA H 4.33 0.01 1 560 . 65 ASP HB2 H 2.78 0.01 2 561 . 65 ASP HB3 H 2.56 0.01 2 562 . 65 ASP CA C 53.7 0.1 1 563 . 65 ASP CB C 37.0 0.1 . 564 . 65 ASP N N 118.6 0.1 1 565 . 66 ALA H H 7.71 0.01 1 566 . 66 ALA HA H 3.03 0.01 1 567 . 66 ALA HB H 1.50 0.01 1 568 . 66 ALA CA C 52.8 0.1 1 569 . 66 ALA CB C 14.0 0.1 1 570 . 66 ALA N N 125.0 0.1 1 571 . 67 GLU H H 8.32 0.01 1 572 . 67 GLU HA H 4.17 0.01 1 573 . 67 GLU HB2 H 2.05 0.01 1 574 . 67 GLU HB3 H 2.05 0.01 1 575 . 67 GLU HG2 H 2.46 0.01 2 576 . 67 GLU HG3 H 2.30 0.01 2 577 . 67 GLU CA C 56.4 0.1 1 578 . 67 GLU CB C 26.5 0.1 1 579 . 67 GLU CG C 32.7 0.1 1 580 . 67 GLU N N 116.4 0.1 1 581 . 68 LYS H H 7.97 0.01 1 582 . 68 LYS HA H 4.02 0.01 1 583 . 68 LYS HB2 H 1.87 0.01 2 584 . 68 LYS HB3 H 1.74 0.01 2 585 . 68 LYS HG2 H 1.41 0.01 1 586 . 68 LYS HG3 H 1.41 0.01 1 587 . 68 LYS HD2 H 1.60 0.01 1 588 . 68 LYS HD3 H 1.60 0.01 1 589 . 68 LYS CA C 55.9 0.1 1 590 . 68 LYS CB C 29.6 0.1 1 591 . 68 LYS CG C 21.4 0.1 1 592 . 68 LYS CD C 27.0 0.1 1 593 . 68 LYS N N 119.2 0.1 1 594 . 69 ASN H H 7.65 0.01 1 595 . 69 ASN HA H 4.18 0.01 1 596 . 69 ASN HB2 H 2.10 0.01 1 597 . 69 ASN HB3 H 2.01 0.01 1 598 . 69 ASN HD21 H 7.99 0.01 1 599 . 69 ASN HD22 H 7.22 0.01 1 600 . 69 ASN CA C 54.4 0.1 1 601 . 69 ASN CB C 38.5 0.1 1 602 . 69 ASN N N 115.9 0.1 1 603 . 69 ASN ND2 N 113.9 0.1 1 604 . 70 LEU H H 8.17 0.01 1 605 . 70 LEU HA H 3.72 0.01 1 606 . 70 LEU HB2 H 1.80 0.01 2 607 . 70 LEU HB3 H 1.38 0.01 2 608 . 70 LEU HG H 1.25 0.01 1 609 . 70 LEU HD1 H 0.52 0.01 2 610 . 70 LEU HD2 H 0.20 0.01 2 611 . 70 LEU CA C 56.0 0.1 1 612 . 70 LEU CB C 37.8 0.1 1 613 . 70 LEU CG C 22.4 0.1 1 614 . 70 LEU CD1 C 22.7 0.1 1 615 . 70 LEU CD2 C 21.7 0.1 1 616 . 70 LEU N N 121.2 0.1 1 617 . 71 GLU H H 7.62 0.01 1 618 . 71 GLU HA H 3.95 0.01 1 619 . 71 GLU HB2 H 2.04 0.01 1 620 . 71 GLU HB3 H 2.04 0.01 1 621 . 71 GLU HG2 H 2.37 0.01 2 622 . 71 GLU HG3 H 2.21 0.01 2 623 . 71 GLU CA C 55.9 0.1 1 624 . 71 GLU CB C 27.0 0.1 1 625 . 71 GLU CG C 33.0 0.1 1 626 . 71 GLU N N 114.4 0.1 1 627 . 72 GLU H H 8.24 0.01 1 628 . 72 GLU HA H 4.10 0.01 1 629 . 72 GLU HB2 H 1.98 0.01 1 630 . 72 GLU HB3 H 1.98 0.01 1 631 . 72 GLU HG2 H 2.51 0.01 2 632 . 72 GLU HG3 H 2.17 0.01 2 633 . 72 GLU CA C 55.6 0.1 1 634 . 72 GLU CB C 28.3 0.1 1 635 . 72 GLU CG C 33.8 0.1 1 636 . 72 GLU N N 114.5 0.1 1 637 . 73 LYS H H 8.27 0.01 1 638 . 73 LYS HA H 4.34 0.01 1 639 . 73 LYS HB2 H 1.75 0.01 1 640 . 73 LYS HB3 H 1.75 0.01 1 641 . 73 LYS HG2 H 1.24 0.01 1 642 . 73 LYS HG3 H 1.24 0.01 1 643 . 73 LYS CA C 52.6 0.1 1 644 . 73 LYS CB C 29.9 0.1 1 645 . 73 LYS N N 114.3 0.1 1 646 . 74 GLN H H 6.38 0.01 1 647 . 74 GLN HA H 4.00 0.01 1 648 . 74 GLN HB2 H 1.97 0.01 2 649 . 74 GLN HB3 H 2.57 0.01 2 650 . 74 GLN HG2 H 2.49 0.01 1 651 . 74 GLN HG3 H 2.49 0.01 1 652 . 74 GLN HE21 H 7.56 0.01 1 653 . 74 GLN HE22 H 7.39 0.01 1 654 . 74 GLN CA C 54.7 0.1 1 655 . 74 GLN CB C 26.4 0.1 1 656 . 74 GLN CG C 30.6 0.1 1 657 . 74 GLN N N 118.9 0.1 1 658 . 74 GLN NE2 N 111.0 0.1 1 659 . 75 GLY H H 8.04 0.01 1 660 . 75 GLY HA2 H 3.98 0.01 1 661 . 75 GLY HA3 H 3.98 0.01 1 662 . 75 GLY CA C 42.3 0.1 1 663 . 75 GLY N N 117.6 0.1 1 664 . 76 ALA H H 8.15 0.01 1 665 . 76 ALA HA H 3.98 0.01 1 666 . 76 ALA HB H 1.23 0.01 1 667 . 76 ALA CA C 50.0 0.1 1 668 . 76 ALA CB C 15.0 0.1 1 669 . 76 ALA N N 124.5 0.1 1 670 . 77 GLU H H 8.40 0.01 1 671 . 77 GLU HA H 4.25 0.01 1 672 . 77 GLU HB2 H 1.83 0.01 2 673 . 77 GLU HB3 H 1.70 0.01 2 674 . 77 GLU HG2 H 2.03 0.01 2 675 . 77 GLU HG3 H 1.80 0.01 2 676 . 77 GLU CA C 53.5 0.1 1 677 . 77 GLU CB C 27.1 0.1 1 678 . 77 GLU CG C 33.7 0.1 1 679 . 77 GLU N N 120.4 0.1 1 680 . 78 ILE H H 8.60 0.01 1 681 . 78 ILE HA H 4.10 0.01 1 682 . 78 ILE HB H 1.73 0.01 1 683 . 78 ILE HG12 H 1.53 0.01 2 684 . 78 ILE HG13 H 0.85 0.01 2 685 . 78 ILE HG2 H 0.73 0.01 1 686 . 78 ILE HD1 H 0.74 0.01 1 687 . 78 ILE CA C 58.0 0.1 1 688 . 78 ILE CB C 36.7 0.1 1 689 . 78 ILE CG1 C 23.0 0.1 1 690 . 78 ILE CG2 C 14.6 0.1 1 691 . 78 ILE CD1 C 11.3 0.1 1 692 . 78 ILE N N 125.6 0.1 1 693 . 79 ASP H H 9.63 0.01 1 694 . 79 ASP HA H 4.22 0.01 1 695 . 79 ASP HB2 H 2.96 0.01 2 696 . 79 ASP HB3 H 2.32 0.01 2 697 . 79 ASP CA C 52.1 0.1 1 698 . 79 ASP CB C 37.1 0.1 1 699 . 79 ASP N N 130.0 0.1 1 700 . 80 GLY H H 8.55 0.01 1 701 . 80 GLY HA2 H 4.04 0.01 1 702 . 80 GLY HA3 H 3.60 0.01 1 703 . 80 GLY CA C 42.4 0.1 1 704 . 80 GLY N N 100.9 0.1 1 705 . 81 ARG H H 7.58 0.01 1 706 . 81 ARG HA H 4.67 0.01 1 707 . 81 ARG HB2 H 1.85 0.01 2 708 . 81 ARG HB3 H 1.71 0.01 2 709 . 81 ARG HG2 H 1.48 0.01 1 710 . 81 ARG HG3 H 1.48 0.01 1 711 . 81 ARG HD2 H 3.04 0.01 2 712 . 81 ARG HD3 H 2.91 0.01 2 713 . 81 ARG HE H 6.54 0.01 1 714 . 81 ARG CA C 51.3 0.1 1 715 . 81 ARG CB C 30.2 0.1 1 716 . 81 ARG CG C 23.9 0.1 1 717 . 81 ARG N N 118.9 0.1 1 718 . 82 SER H H 8.87 0.01 1 719 . 82 SER HA H 4.36 0.01 1 720 . 82 SER HB2 H 3.70 0.01 2 721 . 82 SER HB3 H 3.65 0.01 2 722 . 82 SER CA C 55.1 0.1 1 723 . 82 SER CB C 60.2 0.1 1 724 . 82 SER N N 121.7 0.1 1 725 . 83 VAL H H 9.08 0.01 1 726 . 83 VAL HA H 4.27 0.01 1 727 . 83 VAL HB H 2.18 0.01 1 728 . 83 VAL HG1 H 1.06 0.01 1 729 . 83 VAL HG2 H 1.13 0.01 1 730 . 83 VAL CA C 59.3 0.1 1 731 . 83 VAL CB C 30.1 0.1 1 732 . 83 VAL CG1 C 20.6 0.1 1 733 . 83 VAL CG2 C 17.8 0.1 1 734 . 83 VAL N N 131.3 0.1 1 735 . 84 SER H H 7.93 0.01 1 736 . 84 SER HA H 4.90 0.01 1 737 . 84 SER HB2 H 3.74 0.01 2 738 . 84 SER HB3 H 3.59 0.01 2 739 . 84 SER CA C 53.7 0.1 1 740 . 84 SER CB C 62.0 0.1 1 741 . 84 SER N N 121.2 0.1 1 742 . 85 LEU H H 9.40 0.01 1 743 . 85 LEU HA H 5.48 0.01 1 744 . 85 LEU HB2 H 1.58 0.01 2 745 . 85 LEU HB3 H 1.05 0.01 2 746 . 85 LEU HG H 1.57 0.01 1 747 . 85 LEU HD1 H 0.83 0.01 2 748 . 85 LEU HD2 H 0.78 0.01 2 749 . 85 LEU CA C 50.7 0.1 1 750 . 85 LEU CB C 43.2 0.1 1 751 . 85 LEU CG C 24.1 0.1 1 752 . 85 LEU CD1 C 24.1 0.1 2 753 . 85 LEU CD2 C 20.4 0.1 2 754 . 85 LEU N N 124.4 0.1 1 755 . 86 TYR H H 9.09 0.01 1 756 . 86 TYR HA H 4.54 0.01 1 757 . 86 TYR HB2 H 3.27 0.01 2 758 . 86 TYR HB3 H 2.61 0.01 2 759 . 86 TYR HD1 H 7.05 0.01 1 760 . 86 TYR HD2 H 7.05 0.01 1 761 . 86 TYR HE1 H 6.62 0.01 1 762 . 86 TYR HE2 H 6.62 0.01 1 763 . 86 TYR CA C 53.7 0.1 1 764 . 86 TYR CB C 39.2 0.1 1 765 . 86 TYR N N 118.5 0.1 1 766 . 87 TYR H H 8.62 0.01 1 767 . 87 TYR HA H 4.83 0.01 1 768 . 87 TYR HB2 H 3.18 0.01 2 769 . 87 TYR HB3 H 2.55 0.01 2 770 . 87 TYR HD1 H 7.16 0.01 1 771 . 87 TYR HD2 H 7.16 0.01 1 772 . 87 TYR HE1 H 6.67 0.01 1 773 . 87 TYR HE2 H 6.67 0.01 1 774 . 87 TYR CA C 55.5 0.1 1 775 . 87 TYR CB C 36.1 0.1 1 776 . 87 TYR N N 119.8 0.1 1 777 . 88 THR H H 8.64 0.01 1 778 . 88 THR HA H 4.64 0.01 1 779 . 88 THR HB H 4.26 0.01 1 780 . 88 THR HG2 H 1.22 0.01 1 781 . 88 THR CA C 57.8 0.1 1 782 . 88 THR CB C 67.8 0.1 1 783 . 88 THR CG2 C 19.5 0.1 1 784 . 88 THR N N 110.5 0.1 1 785 . 89 GLY H H 8.15 0.01 1 786 . 89 GLY HA2 H 3.95 0.01 1 787 . 89 GLY HA3 H 3.78 0.01 1 788 . 89 GLY CA C 42.3 0.1 1 789 . 89 GLY N N 107.9 0.1 1 790 . 90 GLU H H 8.75 0.01 1 791 . 90 GLU HA H 4.12 0.01 1 792 . 90 GLU HB2 H 1.95 0.01 1 793 . 90 GLU HB3 H 1.95 0.01 1 794 . 90 GLU HG2 H 2.22 0.01 1 795 . 90 GLU HG3 H 2.22 0.01 1 796 . 90 GLU CA C 55.1 0.1 1 797 . 90 GLU CB C 26.7 0.1 1 798 . 90 GLU CG C 33.2 0.1 1 799 . 90 GLU N N 122.4 0.1 1 800 . 91 LYS H H 8.46 0.01 1 801 . 91 LYS HA H 4.08 0.01 1 802 . 91 LYS HB2 H 1.58 0.01 1 803 . 91 LYS HB3 H 1.58 0.01 1 804 . 91 LYS HG2 H 1.38 0.01 1 805 . 91 LYS HG3 H 1.38 0.01 1 806 . 91 LYS CA C 55.0 0.1 1 807 . 91 LYS CB C 29.7 0.1 1 808 . 91 LYS CG C 22.3 0.1 1 809 . 91 LYS N N 120.5 0.1 1 810 . 92 GLY H H 8.03 0.01 1 811 . 92 GLY HA2 H 3.75 0.01 2 812 . 92 GLY HA3 H 4.06 0.01 2 813 . 92 GLY CA C 42.5 0.1 1 814 . 92 GLY N N 106.8 0.1 1 815 . 93 GLY H H 8.04 0.01 1 816 . 93 GLY HA2 H 3.99 0.01 1 817 . 93 GLY HA3 H 3.99 0.01 1 818 . 93 GLY CA C 42.5 0.1 1 819 . 93 GLY N N 107.9 0.1 1 820 . 94 THR H H 8.13 0.01 1 821 . 94 THR HA H 4.34 0.01 1 822 . 94 THR HB H 4.18 0.01 1 823 . 94 THR HG2 H 1.13 0.01 1 824 . 94 THR CA C 59.1 0.1 1 825 . 94 THR CB C 66.6 0.1 1 826 . 94 THR CG2 C 18.4 0.1 1 827 . 94 THR N N 113.3 0.1 1 828 . 95 ARG H H 8.44 0.01 1 829 . 95 ARG HA H 4.30 0.01 1 830 . 95 ARG HB2 H 1.85 0.01 2 831 . 95 ARG HB3 H 1.76 0.01 2 832 . 95 ARG HG2 H 1.59 0.01 1 833 . 95 ARG HG3 H 1.59 0.01 1 834 . 95 ARG CA C 53.3 0.1 1 835 . 95 ARG CB C 27.3 0.1 1 836 . 95 ARG CG C 24.0 0.1 1 837 . 95 ARG N N 122.7 0.1 1 838 . 96 GLY H H 8.44 0.01 1 839 . 96 GLY HA2 H 3.91 0.01 1 840 . 96 GLY HA3 H 3.91 0.01 1 841 . 96 GLY CA C 42.4 0.1 1 842 . 96 GLY N N 109.8 0.1 1 stop_ save_