data_16236 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Bruno RRM3+ ; _BMRB_accession_number 16236 _BMRB_flat_file_name bmr16236.str _Entry_type original _Submission_date 2009-04-01 _Accession_date 2009-04-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of the C-terminal RRM3+ of the Bruno protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lyon Angeline M. . 2 Reveal Brad S. . 3 Macdonald Paul M. . 4 Hoffman David W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 650 "13C chemical shifts" 432 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2010-01-21 update BMRB 'complete entry citation' 2009-11-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Bruno protein contains an expanded RNA recognition motif' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19919093 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lyon Angeline M. . 2 Reveal Brad S. . 3 Macdonald Paul M. . 4 Hoffman David W. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 48 _Journal_issue 51 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12202 _Page_last 12212 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Bruno_RRM3+ _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Bruno_RRM3+ $Bruno_RRM3+ stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Bruno_RRM3+ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bruno_RRM3+ _Molecular_mass 12296.124 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; AAGLPQFGSASALSTSPLAS VALSAAAAAAAGKQIEGPEG CNLFIYHLPQEFTDTDLAST FLPFGNVISAKVFIDKQTSL SKCFGFVSFDNPDSAQVAIK AMNGFQVGTKRLKVQLKK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ALA 3 GLY 4 LEU 5 PRO 6 GLN 7 PHE 8 GLY 9 SER 10 ALA 11 SER 12 ALA 13 LEU 14 SER 15 THR 16 SER 17 PRO 18 LEU 19 ALA 20 SER 21 VAL 22 ALA 23 LEU 24 SER 25 ALA 26 ALA 27 ALA 28 ALA 29 ALA 30 ALA 31 ALA 32 GLY 33 LYS 34 GLN 35 ILE 36 GLU 37 GLY 38 PRO 39 GLU 40 GLY 41 CYS 42 ASN 43 LEU 44 PHE 45 ILE 46 TYR 47 HIS 48 LEU 49 PRO 50 GLN 51 GLU 52 PHE 53 THR 54 ASP 55 THR 56 ASP 57 LEU 58 ALA 59 SER 60 THR 61 PHE 62 LEU 63 PRO 64 PHE 65 GLY 66 ASN 67 VAL 68 ILE 69 SER 70 ALA 71 LYS 72 VAL 73 PHE 74 ILE 75 ASP 76 LYS 77 GLN 78 THR 79 SER 80 LEU 81 SER 82 LYS 83 CYS 84 PHE 85 GLY 86 PHE 87 VAL 88 SER 89 PHE 90 ASP 91 ASN 92 PRO 93 ASP 94 SER 95 ALA 96 GLN 97 VAL 98 ALA 99 ILE 100 LYS 101 ALA 102 MET 103 ASN 104 GLY 105 PHE 106 GLN 107 VAL 108 GLY 109 THR 110 LYS 111 ARG 112 LEU 113 LYS 114 VAL 115 GLN 116 LEU 117 LYS 118 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2KHC "Bruno Rrm3+" 100.00 118 100.00 100.00 4.08e-77 GB AAL49272 "RE72594p [Drosophila melanogaster]" 100.00 361 100.00 100.00 1.80e-75 GB AAM50707 "GM15173p [Drosophila melanogaster]" 100.00 181 100.00 100.00 1.02e-77 GB AAN10813 "arrest, isoform D [Drosophila melanogaster]" 100.00 361 100.00 100.00 1.80e-75 GB ACL86931 "aret-PD, partial [synthetic construct]" 100.00 361 100.00 100.00 1.80e-75 GB AET11743 "FI15316p1 [Drosophila melanogaster]" 100.00 317 100.00 100.00 3.87e-76 REF NP_723740 "arrest, isoform D [Drosophila melanogaster]" 100.00 361 100.00 100.00 1.80e-75 REF XP_002015057 "GL18622 [Drosophila persimilis]" 100.00 398 100.00 100.00 4.40e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bruno_RRM3+ 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $Bruno_RRM3+ 'recombinant technology' . Escherichia coli . pET3a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Bruno_RRM3+_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Bruno_RRM3+ 1 mM . . '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 1 mM . . 'natural abundance' 'sodium chloride' . mM 300 400 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1. loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'simulated annealing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $Bruno_RRM3+_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Bruno_RRM3+_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Bruno_RRM3+_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 260 . mM pH 6 . pH pressure 1.0 . atm temperature 298 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $Bruno_RRM3+_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Bruno_RRM3+ _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 ALA H H 8.85 0.01 1 2 1 1 ALA HA H 4.50 0.01 1 3 1 1 ALA HB H 1.39 0.01 1 4 1 1 ALA C C 177.4 0.07 1 5 1 1 ALA CA C 53.22 0.07 1 6 1 1 ALA CB C 18.8 0.07 1 7 1 1 ALA N N 126.2 0.10 1 8 2 2 ALA H H 7.75 0.01 1 9 2 2 ALA HA H 4.34 0.01 1 10 2 2 ALA HB H 1.31 0.01 1 11 2 2 ALA C C 177.5 0.07 1 12 2 2 ALA CA C 52.3 0.07 1 13 2 2 ALA CB C 19.28 0.07 1 14 2 2 ALA N N 121.4 0.10 1 15 3 3 GLY H H 8.29 0.01 1 16 3 3 GLY HA2 H 4.77 0.01 1 17 3 3 GLY HA3 H 3.9 0.01 1 18 3 3 GLY C C 173.0 0.07 1 19 3 3 GLY CA C 45.07 0.07 1 20 3 3 GLY N N 108.4 0.10 1 21 4 4 LEU H H 8.02 0.01 1 22 4 4 LEU HA H 4.22 0.01 1 23 4 4 LEU HB2 H 1.69 0.01 1 24 4 4 LEU HB3 H 1.89 0.01 1 25 4 4 LEU HD1 H 1.05 0.01 1 26 4 4 LEU HD2 H 0.97 0.01 1 27 4 4 LEU HG H 1.46 0.01 1 28 4 4 LEU CA C 52.99 0.07 1 29 4 4 LEU CB C 41.67 0.07 1 30 4 4 LEU CD1 C 24.55 0.07 2 31 4 4 LEU CD2 C 24.55 0.07 2 32 4 4 LEU CG C 26.64 0.07 1 33 4 4 LEU N N 123.1 0.10 1 34 5 5 PRO HA H 4.53 0.01 1 35 5 5 PRO HB2 H 2.45 0.01 1 36 5 5 PRO HB3 H 2.13 0.01 1 37 5 5 PRO C C 174.6 0.07 1 38 5 5 PRO CB C 33.96 0.07 1 39 6 6 GLN H H 8.48 0.01 1 40 6 6 GLN HA H 4.39 0.01 1 41 6 6 GLN HB2 H 2.00 0.01 2 42 6 6 GLN HB3 H 2.00 0.01 2 43 6 6 GLN HE21 H 6.87 0.01 1 44 6 6 GLN HE22 H 7.58 0.01 1 45 6 6 GLN HG2 H 2.47 0.01 2 46 6 6 GLN HG3 H 2.47 0.01 2 47 6 6 GLN C C 175.0 0.07 1 48 6 6 GLN CA C 57.68 0.07 1 49 6 6 GLN CB C 29.38 0.07 1 50 6 6 GLN CD C 180.0 0.07 1 51 6 6 GLN N N 121.4 0.10 1 52 6 6 GLN NE2 N 112.8 0.10 1 53 7 7 PHE H H 8.28 0.01 1 54 7 7 PHE HA H 4.69 0.01 1 55 7 7 PHE HB2 H 3.25 0.01 1 56 7 7 PHE HB3 H 3.04 0.01 1 57 7 7 PHE HD1 H 7.30 0.01 3 58 7 7 PHE HD2 H 7.30 0.01 3 59 7 7 PHE HE1 H 7.44 0.01 3 60 7 7 PHE HE2 H 7.44 0.01 3 61 7 7 PHE C C 175.6 0.07 1 62 7 7 PHE CA C 57.68 0.07 1 63 7 7 PHE CB C 39.45 0.07 1 64 7 7 PHE N N 121.4 0.10 1 65 8 8 GLY H H 8.28 0.01 1 66 8 8 GLY HA2 H 3.93 0.01 1 67 8 8 GLY HA3 H 4.02 0.01 1 68 8 8 GLY C C 175.4 0.07 1 69 8 8 GLY CA C 45.3 0.07 1 70 8 8 GLY N N 111.3 0.10 1 71 9 9 SER H H 8.20 0.01 1 72 9 9 SER HA H 4.44 0.01 1 73 9 9 SER HB2 H 3.87 0.01 2 74 9 9 SER HB3 H 3.87 0.01 2 75 9 9 SER C C 173.4 0.07 1 76 9 9 SER CA C 58.1 0.07 1 77 9 9 SER CB C 64.09 0.07 1 78 9 9 SER N N 116.5 0.07 1 79 10 10 ALA H H 8.44 0.01 1 80 10 10 ALA HA H 4.35 0.01 1 81 10 10 ALA HB H 1.40 0.01 1 82 10 10 ALA C C 172.6 0.07 1 83 10 10 ALA CA C 52.38 0.07 1 84 10 10 ALA CB C 19.35 0.07 1 85 10 10 ALA N N 127.1 0.10 1 86 11 11 SER H H 8.24 0.01 1 87 11 11 SER HA H 4.48 0.01 1 88 11 11 SER HB2 H 3.87 0.01 2 89 11 11 SER HB3 H 3.87 0.01 2 90 11 11 SER C C 173.5 0.07 1 91 11 11 SER CA C 57.94 0.07 1 92 11 11 SER CB C 63.79 0.07 1 93 11 11 SER N N 115.7 0.10 1 94 12 12 ALA H H 8.19 0.01 1 95 12 12 ALA HA H 4.23 0.01 1 96 12 12 ALA HB H 1.40 0.01 1 97 12 12 ALA C C 177.0 0.07 1 98 12 12 ALA CA C 57.93 0.07 1 99 12 12 ALA CB C 19.5 0.07 1 100 12 12 ALA N N 126.2 0.10 1 101 13 13 LEU H H 8.35 0.01 1 102 13 13 LEU HA H 4.60 0.01 1 103 13 13 LEU HB2 H 1.67 0.01 2 104 13 13 LEU HB3 H 1.67 0.01 2 105 13 13 LEU HD1 H 0.90 0.01 1 106 13 13 LEU HD2 H 0.75 0.01 1 107 13 13 LEU HG H 1.35 0.01 1 108 13 13 LEU C C 175.2 0.07 1 109 13 13 LEU CA C 54.14 0.07 1 110 13 13 LEU CB C 41.04 0.07 1 111 13 13 LEU CD1 C 25.97 0.07 2 112 13 13 LEU CD2 C 25.97 0.07 2 113 13 13 LEU CG C 27.56 0.07 1 114 13 13 LEU N N 125.3 0.10 1 115 14 14 SER H H 8.10 0.01 1 116 14 14 SER HA H 4.52 0.01 1 117 14 14 SER HB2 H 3.87 0.01 2 118 14 14 SER HB3 H 3.87 0.01 2 119 14 14 SER C C 173.5 0.07 1 120 14 14 SER CA C 58.2 0.07 1 121 14 14 SER CB C 63.72 0.07 1 122 14 14 SER N N 116.6 0.10 1 123 15 15 THR H H 8.37 0.01 1 124 15 15 THR HA H 4.37 0.01 1 125 15 15 THR HB H 4.23 0.01 1 126 15 15 THR HG2 H 1.43 0.01 1 127 15 15 THR C C 173.0 0.07 1 128 15 15 THR CA C 61.56 0.07 1 129 15 15 THR CB C 70.12 0.07 1 130 15 15 THR CG2 C 21.25 0.07 1 131 15 15 THR N N 117.0 0.10 1 132 16 16 SER H H 8.17 0.01 1 133 16 16 SER HA H 4.57 0.01 1 134 16 16 SER HB2 H 3.80 0.01 2 135 16 16 SER HB3 H 3.80 0.01 2 136 16 16 SER C C 171.2 0.07 1 137 16 16 SER CA C 55.61 0.07 1 138 16 16 SER CB C 64.10 0.07 1 139 16 16 SER N N 118.3 0.10 1 140 21 21 VAL C C 175.8 0.07 1 141 21 21 VAL CA C 56.39 0.07 1 142 21 21 VAL CB C 32.87 0.07 1 143 22 22 ALA H H 8.34 0.01 1 144 22 22 ALA HA H 4.13 0.01 1 145 22 22 ALA HB H 1.46 0.01 1 146 22 22 ALA C C 172.3 0.07 1 147 22 22 ALA CA C 51.81 0.07 1 148 22 22 ALA CB C 19.14 0.07 1 149 22 22 ALA N N 121.8 0.10 1 150 23 23 LEU H H 8.23 0.01 1 151 23 23 LEU HA H 4.21 0.01 1 152 23 23 LEU HB2 H 1.64 0.01 2 153 23 23 LEU HB3 H 1.64 0.01 2 154 23 23 LEU HD1 H 0.95 0.01 1 155 23 23 LEU HD2 H 0.90 0.01 1 156 23 23 LEU HG H 1.37 0.01 1 157 23 23 LEU CA C 57.05 0.07 1 158 23 23 LEU CB C 43.18 0.07 1 159 23 23 LEU CD1 C 25.46 0.07 1 160 23 23 LEU CD2 C 23.90 0.07 1 161 23 23 LEU CG C 29.12 0.07 1 162 23 23 LEU N N 128.0 0.10 1 163 25 25 ALA H H 8.3 0.01 1 164 25 25 ALA HA H 4.45 0.01 1 165 25 25 ALA HB H 1.5 0.01 1 166 25 25 ALA C C 176.6 0.07 1 167 25 25 ALA CA C 52.23 0.07 1 168 25 25 ALA CB C 19.26 0.07 1 169 25 25 ALA N N 124.4 0.10 1 170 26 26 ALA H H 8.3 0.01 1 171 26 26 ALA HA H 4.45 0.01 1 172 26 26 ALA HB H 1.5 0.01 1 173 26 26 ALA C C 176.6 0.07 1 174 26 26 ALA CA C 52.23 0.07 1 175 26 26 ALA CB C 19.26 0.07 1 176 26 26 ALA N N 124.4 0.10 1 177 27 27 ALA H H 8.3 0.01 1 178 27 27 ALA HA H 4.45 0.01 1 179 27 27 ALA HB H 1.5 0.01 1 180 27 27 ALA C C 176.6 0.07 1 181 27 27 ALA CA C 52.23 0.07 1 182 27 27 ALA CB C 19.26 0.07 1 183 27 27 ALA N N 124.4 0.10 1 184 28 28 ALA H H 8.3 0.01 1 185 28 28 ALA HA H 4.45 0.01 1 186 28 28 ALA HB H 1.5 0.01 1 187 28 28 ALA C C 176.6 0.07 1 188 28 28 ALA CA C 52.23 0.07 1 189 28 28 ALA CB C 19.26 0.07 1 190 28 28 ALA N N 124.4 0.10 1 191 29 29 ALA H H 8.3 0.01 1 192 29 29 ALA HA H 4.45 0.01 1 193 29 29 ALA HB H 1.5 0.01 1 194 29 29 ALA C C 176.6 0.07 1 195 29 29 ALA CA C 52.23 0.07 1 196 29 29 ALA CB C 19.26 0.07 1 197 29 29 ALA N N 124.4 0.10 1 198 30 30 ALA H H 8.3 0.01 1 199 30 30 ALA HA H 4.45 0.01 1 200 30 30 ALA HB H 1.5 0.01 1 201 30 30 ALA C C 176.6 0.07 1 202 30 30 ALA CA C 52.23 0.07 1 203 30 30 ALA CB C 19.26 0.07 1 204 30 30 ALA N N 124.4 0.10 1 205 31 31 ALA H H 8.3 0.01 1 206 31 31 ALA HA H 4.34 0.01 1 207 31 31 ALA HB H 1.42 0.01 1 208 31 31 ALA C C 177.6 0.07 1 209 31 31 ALA CA C 53.07 0.07 1 210 31 31 ALA CB C 19.05 0.07 1 211 32 32 GLY H H 8.74 0.01 1 212 32 32 GLY HA2 H 4.14 0.01 1 213 32 32 GLY HA3 H 3.79 0.01 1 214 32 32 GLY C C 173.4 0.07 1 215 32 32 GLY CA C 45.61 0.07 1 216 32 32 GLY N N 110.3 0.10 1 217 33 33 LYS H H 7.79 0.01 1 218 33 33 LYS HA H 4.41 0.01 1 219 33 33 LYS HB2 H 1.82 0.01 2 220 33 33 LYS HB3 H 1.82 0.01 2 221 33 33 LYS HD2 H 1.72 0.01 2 222 33 33 LYS HD3 H 1.72 0.01 2 223 33 33 LYS HE2 H 3.29 0.01 2 224 33 33 LYS HE3 H 3.29 0.01 2 225 33 33 LYS HG2 H 1.43 0.01 1 226 33 33 LYS HG3 H 1.58 0.01 1 227 33 33 LYS C C 174.6 0.07 1 228 33 33 LYS CA C 55.73 0.07 1 229 33 33 LYS CB C 33.94 0.07 1 230 33 33 LYS CD C 28.87 0.07 1 231 33 33 LYS CE C 39.38 0.07 1 232 33 33 LYS CG C 23.5 0.07 1 233 33 33 LYS N N 120.9 0.10 1 234 34 34 GLN H H 8.49 0.01 1 235 34 34 GLN HA H 4.32 0.01 1 236 34 34 GLN HB2 H 1.79 0.01 1 237 34 34 GLN HB3 H 1.86 0.01 1 238 34 34 GLN HE21 H 6.77 0.01 1 239 34 34 GLN HE22 H 7.14 0.01 1 240 34 34 GLN HG2 H 2.08 0.01 1 241 34 34 GLN HG3 H 2.15 0.01 1 242 34 34 GLN C C 173.9 0.07 1 243 34 34 GLN CA C 55.01 0.07 1 244 34 34 GLN CB C 29.45 0.07 1 245 34 34 GLN CD C 179.1 0.07 1 246 34 34 GLN CG C 32.54 0.07 1 247 34 34 GLN N N 121.3 0.10 1 248 34 34 GLN NE2 N 111.1 0.10 1 249 35 35 ILE H H 8.03 0.01 1 250 35 35 ILE HA H 4.11 0.01 1 251 35 35 ILE HB H 1.71 0.01 1 252 35 35 ILE HD1 H 0.85 0.01 1 253 35 35 ILE HG12 H 1.57 0.01 2 254 35 35 ILE HG13 H 1.57 0.01 2 255 35 35 ILE HG2 H 0.87 0.01 1 256 35 35 ILE C C 174.4 0.07 1 257 35 35 ILE CA C 60.48 0.07 1 258 35 35 ILE CB C 39.17 0.07 1 259 35 35 ILE CD1 C 12.46 0.07 1 260 35 35 ILE CG1 C 29.15 0.07 1 261 35 35 ILE CG2 C 17.15 0.07 1 262 35 35 ILE N N 124.0 0.10 1 263 36 36 GLU H H 8.47 0.01 1 264 36 36 GLU HA H 4.42 0.01 1 265 36 36 GLU HB2 H 1.94 0.01 2 266 36 36 GLU HB3 H 1.94 0.01 2 267 36 36 GLU HG2 H 2.25 0.01 2 268 36 36 GLU HG3 H 2.25 0.01 1 269 36 36 GLU C C 176.4 0.07 1 270 36 36 GLU CA C 56.34 0.07 1 271 36 36 GLU CB C 30.75 0.07 1 272 36 36 GLU CG C 36.48 0.07 1 273 36 36 GLU N N 126.4 0.10 1 274 37 37 GLY H H 9.22 0.01 1 275 37 37 GLY HA2 H 4.47 0.01 1 276 37 37 GLY HA3 H 3.73 0.01 1 277 37 37 GLY CA C 44.02 0.07 1 278 37 37 GLY N N 111.9 0.10 1 279 38 38 PRO HA H 4.43 0.01 1 280 38 38 PRO HB2 H 2.57 0.01 2 281 38 38 PRO HB3 H 2.57 0.01 2 282 38 38 PRO HD2 H 3.86 0.01 2 283 38 38 PRO HD3 H 3.86 0.01 2 284 38 38 PRO HG2 H 2.06 0.01 1 285 38 38 PRO HG3 H 1.92 0.01 1 286 38 38 PRO C C 177.3 0.07 1 287 38 38 PRO CA C 62.67 0.07 1 288 38 38 PRO CB C 32.0 0.07 1 289 39 39 GLU H H 8.38 0.01 1 290 39 39 GLU HA H 4.15 0.01 1 291 39 39 GLU HB2 H 2.01 0.01 1 292 39 39 GLU HB3 H 2.07 0.01 1 293 39 39 GLU HG2 H 2.38 0.01 2 294 39 39 GLU HG3 H 2.38 0.01 2 295 39 39 GLU C C 177.3 0.07 1 296 39 39 GLU CA C 58.19 0.07 1 297 39 39 GLU CB C 29.37 0.07 1 298 39 39 GLU CG C 38.85 0.07 1 299 39 39 GLU N N 120.1 0.10 1 300 40 40 GLY H H 8.78 0.01 1 301 40 40 GLY HA2 H 4.42 0.01 1 302 40 40 GLY HA3 H 3.89 0.01 1 303 40 40 GLY C C 174.0 0.07 1 304 40 40 GLY CA C 45.4 0.07 1 305 40 40 GLY N N 113.5 0.10 1 306 41 41 CYS H H 7.68 0.01 1 307 41 41 CYS HA H 4.43 0.01 1 308 41 41 CYS HB2 H 2.94 0.01 1 309 41 41 CYS HB3 H 3.34 0.01 1 310 41 41 CYS C C 172.2 0.07 1 311 41 41 CYS CA C 59.92 0.07 1 312 41 41 CYS CB C 29.29 0.07 1 313 41 41 CYS N N 113.9 0.10 1 314 42 42 ASN H H 7.74 0.01 1 315 42 42 ASN HA H 5.12 0.01 1 316 42 42 ASN HB2 H 2.85 0.01 2 317 42 42 ASN HB3 H 2.85 0.01 2 318 42 42 ASN HD21 H 6.89 0.01 1 319 42 42 ASN HD22 H 7.91 0.01 1 320 42 42 ASN C C 172.2 0.07 1 321 42 42 ASN CA C 52.98 0.07 1 322 42 42 ASN CB C 41.53 0.07 1 323 42 42 ASN CG C 176.2 0.07 1 324 42 42 ASN N N 116.6 0.10 1 325 42 42 ASN ND2 N 113.8 0.10 1 326 43 43 LEU H H 9.31 0.01 1 327 43 43 LEU HA H 5.11 0.01 1 328 43 43 LEU HB2 H 1.16 0.01 1 329 43 43 LEU HB3 H 1.45 0.01 1 330 43 43 LEU HD1 H 0.74 0.01 2 331 43 43 LEU HD2 H 0.74 0.01 2 332 43 43 LEU HG H 1.52 0.01 1 333 43 43 LEU C C 174.7 0.07 1 334 43 43 LEU CA C 53.62 0.07 1 335 43 43 LEU CB C 45.53 0.07 1 336 43 43 LEU CD1 C 25.99 0.07 2 337 43 43 LEU CD2 C 25.99 0.07 2 338 43 43 LEU CG C 26.51 0.07 1 339 43 43 LEU N N 123.6 0.10 1 340 44 44 PHE H H 9.08 0.01 1 341 44 44 PHE HA H 5.53 0.01 1 342 44 44 PHE HB2 H 2.92 0.01 2 343 44 44 PHE HB3 H 2.92 0.01 2 344 44 44 PHE HD1 H 7.42 0.01 3 345 44 44 PHE HD2 H 7.42 0.01 3 346 44 44 PHE HE1 H 7.12 0.01 3 347 44 44 PHE HE2 H 7.12 0.01 3 348 44 44 PHE HZ H 6.70 0.01 1 349 44 44 PHE C C 174.0 0.07 1 350 44 44 PHE CA C 56.42 0.07 1 351 44 44 PHE CB C 42.81 0.07 1 352 44 44 PHE N N 119.2 0.10 1 353 45 45 ILE H H 8.66 0.01 1 354 45 45 ILE HA H 5.12 0.01 1 355 45 45 ILE HB H 1.52 0.01 1 356 45 45 ILE HD1 H 0.39 0.01 1 357 45 45 ILE HG12 H 0.73 0.01 2 358 45 45 ILE HG13 H 0.73 0.01 2 359 45 45 ILE HG2 H 1.01 0.01 1 360 45 45 ILE C C 173.6 0.07 1 361 45 45 ILE CA C 59.65 0.07 1 362 45 45 ILE CB C 40.67 0.07 1 363 45 45 ILE CD1 C 16.71 0.07 1 364 45 45 ILE CG1 C 26.45 0.07 1 365 45 45 ILE CG2 C 21.93 0.07 1 366 45 45 ILE N N 121.8 0.10 1 367 46 46 TYR H H 9.54 0.01 1 368 46 46 TYR HA H 5.11 0.01 1 369 46 46 TYR HB2 H 2.51 0.01 1 370 46 46 TYR HB3 H 2.89 0.01 1 371 46 46 TYR HD1 H 6.92 0.01 3 372 46 46 TYR HD2 H 6.92 0.01 3 373 46 46 TYR HE1 H 6.40 0.01 3 374 46 46 TYR HE2 H 6.40 0.01 3 375 46 46 TYR C C 174.1 0.07 1 376 46 46 TYR CA C 56.45 0.07 1 377 46 46 TYR CB C 40.81 0.07 1 378 46 46 TYR N N 123.6 0.10 1 379 47 47 HIS H H 8.97 0.01 1 380 47 47 HIS HA H 4.70 0.01 1 381 47 47 HIS HB2 H 3.34 0.01 1 382 47 47 HIS HB3 H 3.22 0.01 1 383 47 47 HIS HD1 H 7.44 0.01 2 384 47 47 HIS HD2 H 7.44 0.01 2 385 47 47 HIS HE1 H 7.67 0.01 2 386 47 47 HIS HE2 H 7.67 0.01 2 387 47 47 HIS C C 172.5 0.07 1 388 47 47 HIS CA C 54.51 0.07 1 389 47 47 HIS CB C 26.18 0.07 1 390 47 47 HIS N N 112.6 0.10 1 391 48 48 LEU H H 7.67 0.01 1 392 48 48 LEU HA H 4.00 0.01 1 393 48 48 LEU HB2 H 1.11 0.01 2 394 48 48 LEU HB3 H 1.11 0.01 2 395 48 48 LEU HD1 H 0.75 0.01 1 396 48 48 LEU HD2 H 0.63 0.01 1 397 48 48 LEU HG H 1.47 0.01 1 398 48 48 LEU C C 174.8 0.07 1 399 48 48 LEU CA C 52.78 0.07 1 400 48 48 LEU CB C 42.03 0.07 1 401 48 48 LEU CD1 C 23.70 0.07 1 402 48 48 LEU CD2 C 22.65 0.07 1 403 48 48 LEU CG C 26.82 0.07 1 404 48 48 LEU N N 114.0 0.10 1 405 49 49 PRO HA H 4.38 0.01 1 406 49 49 PRO HB2 H 1.72 0.01 2 407 49 49 PRO HB3 H 1.72 0.01 2 408 49 49 PRO HD2 H 3.86 0.01 1 409 49 49 PRO HD3 H 3.68 0.01 1 410 49 49 PRO HG2 H 2.05 0.01 2 411 49 49 PRO HG3 H 2.05 0.01 2 412 49 49 PRO C C 177.2 0.07 1 413 49 49 PRO CA C 62.93 0.07 1 414 49 49 PRO CB C 32.29 0.07 1 415 50 50 GLN H H 9.16 0.01 1 416 50 50 GLN HA H 4.15 0.01 1 417 50 50 GLN HB2 H 2.10 0.01 1 418 50 50 GLN HB3 H 2.21 0.01 1 419 50 50 GLN HE21 H 7.68 0.01 1 420 50 50 GLN HE22 H 7.08 0.01 1 421 50 50 GLN HG2 H 2.42 0.01 1 422 50 50 GLN HG3 H 2.56 0.01 1 423 50 50 GLN C C 175.4 0.07 1 424 50 50 GLN CA C 59.01 0.07 1 425 50 50 GLN CB C 28.93 0.07 1 426 50 50 GLN CG C 36.18 0.07 1 427 50 50 GLN N N 126.6 0.10 1 428 50 50 GLN NE2 N 112.8 0.10 1 429 51 51 GLU H H 9.04 0.01 1 430 51 51 GLU HA H 4.39 0.01 1 431 51 51 GLU HB2 H 2.12 0.01 1 432 51 51 GLU HB3 H 2.22 0.01 1 433 51 51 GLU HG2 H 2.40 0.01 2 434 51 51 GLU HG3 H 2.40 0.01 2 435 51 51 GLU C C 176.1 0.07 1 436 51 51 GLU CA C 56.83 0.07 1 437 51 51 GLU CB C 28.61 0.07 1 438 51 51 GLU CG C 35.9 0.07 1 439 51 51 GLU N N 126.6 0.10 1 440 52 52 PHE H H 7.70 0.01 1 441 52 52 PHE HA H 4.79 0.01 1 442 52 52 PHE HB2 H 3.53 0.01 1 443 52 52 PHE HB3 H 2.86 0.01 1 444 52 52 PHE HD1 H 7.11 0.01 3 445 52 52 PHE HD2 H 7.11 0.01 3 446 52 52 PHE HE1 H 7.38 0.01 3 447 52 52 PHE HE2 H 7.38 0.01 3 448 52 52 PHE HZ H 6.90 0.01 1 449 52 52 PHE C C 176.7 0.07 1 450 52 52 PHE CA C 59.18 0.07 1 451 52 52 PHE CB C 40.15 0.07 1 452 52 52 PHE N N 123.6 0.10 1 453 53 53 THR H H 9.20 0.01 1 454 53 53 THR HA H 4.77 0.01 1 455 53 53 THR HB H 4.17 0.01 1 456 53 53 THR HG2 H 1.36 0.01 1 457 53 53 THR C C 175.2 0.07 1 458 53 53 THR CA C 59.86 0.07 1 459 53 53 THR CB C 71.76 0.07 1 460 53 53 THR CG2 C 21.07 0.07 1 461 53 53 THR N N 117.1 0.10 1 462 54 54 ASP H H 8.72 0.01 1 463 54 54 ASP HA H 4.09 0.01 1 464 54 54 ASP HB2 H 2.85 0.01 1 465 54 54 ASP HB3 H 2.74 0.01 1 466 54 54 ASP C C 177.5 0.07 1 467 54 54 ASP CA C 58.33 0.07 1 468 54 54 ASP CB C 40.85 0.07 1 469 54 54 ASP N N 119.9 0.10 1 470 55 55 THR H H 7.92 0.01 1 471 55 55 THR HA H 3.84 0.01 1 472 55 55 THR HB H 4.02 0.01 1 473 55 55 THR HG2 H 1.16 0.01 1 474 55 55 THR C C 176.2 0.07 1 475 55 55 THR CA C 66.05 0.07 1 476 55 55 THR CB C 68.07 0.07 1 477 55 55 THR CG2 C 21.07 0.07 1 478 55 55 THR N N 112.8 0.10 1 479 56 56 ASP H H 7.36 0.01 1 480 56 56 ASP HA H 4.38 0.01 1 481 56 56 ASP HB2 H 3.02 0.01 1 482 56 56 ASP HB3 H 2.93 0.01 1 483 56 56 ASP C C 175.1 0.07 1 484 56 56 ASP CA C 57.26 0.07 1 485 56 56 ASP CB C 39.05 0.07 1 486 56 56 ASP N N 124.6 0.10 1 487 57 57 LEU H H 8.21 0.01 1 488 57 57 LEU HA H 4.33 0.01 1 489 57 57 LEU HB2 H 1.36 0.01 2 490 57 57 LEU HB3 H 1.36 0.01 2 491 57 57 LEU HD1 H 0.72 0.01 2 492 57 57 LEU HD2 H 0.72 0.01 2 493 57 57 LEU HG H 1.09 0.01 1 494 57 57 LEU C C 177.2 0.07 1 495 57 57 LEU CA C 56.03 0.07 1 496 57 57 LEU CB C 42.07 0.07 1 497 57 57 LEU CD1 C 24.74 0.07 1 498 57 57 LEU CD2 C 23.17 0.07 1 499 57 57 LEU CG C 26.82 0.07 1 500 57 57 LEU N N 122.7 0.10 1 501 58 58 ALA H H 8.31 0.01 1 502 58 58 ALA HA H 3.83 0.01 1 503 58 58 ALA HB H 1.47 0.01 1 504 58 58 ALA C C 178.8 0.07 1 505 58 58 ALA CA C 56.36 0.07 1 506 58 58 ALA CB C 17.98 0.07 1 507 58 58 ALA N N 120.5 0.10 1 508 59 59 SER H H 8.43 0.01 1 509 59 59 SER HA H 3.85 0.01 1 510 59 59 SER HB2 H 4.16 0.01 1 511 59 59 SER HB3 H 4.03 0.01 1 512 59 59 SER C C 175.5 0.07 1 513 59 59 SER CA C 62.05 0.07 1 514 59 59 SER CB C 62.71 0.07 1 515 59 59 SER N N 111.8 0.10 1 516 60 60 THR H H 7.79 0.01 1 517 60 60 THR HA H 3.82 0.01 1 518 60 60 THR HB H 4.55 0.01 1 519 60 60 THR HG2 H 0.88 0.01 1 520 60 60 THR C C 172.8 0.07 1 521 60 60 THR CA C 66.24 0.07 1 522 60 60 THR CB C 68.38 0.07 1 523 60 60 THR CG2 C 21.57 0.07 1 524 60 60 THR N N 117.0 0.10 1 525 61 61 PHE H H 7.33 0.01 1 526 61 61 PHE HA H 4.84 0.01 1 527 61 61 PHE HB2 H 3.48 0.01 1 528 61 61 PHE HB3 H 2.64 0.01 1 529 61 61 PHE HD1 H 7.66 0.01 3 530 61 61 PHE HD2 H 7.66 0.01 3 531 61 61 PHE HE1 H 6.97 0.01 3 532 61 61 PHE HE2 H 6.97 0.01 3 533 61 61 PHE HZ H 7.17 0.01 1 534 61 61 PHE C C 174.0 0.07 1 535 61 61 PHE CA C 60.2 0.07 1 536 61 61 PHE CB C 40.74 0.07 1 537 61 61 PHE N N 116.3 0.10 1 538 62 62 LEU H H 7.95 0.01 1 539 62 62 LEU HA H 4.78 0.01 1 540 62 62 LEU HB2 H 1.89 0.01 1 541 62 62 LEU HB3 H 1.65 0.01 1 542 62 62 LEU HD1 H 0.96 0.01 1 543 62 62 LEU HD2 H 1.09 0.01 1 544 62 62 LEU HG H 1.84 0.01 1 545 62 62 LEU C C 174.7 0.07 1 546 62 62 LEU CA C 58.02 0.07 1 547 62 62 LEU CB C 41.17 0.07 1 548 62 62 LEU CD1 C 24.5 0.07 2 549 62 62 LEU CD2 C 24.5 0.07 2 550 62 62 LEU CG C 26.59 0.07 1 551 62 62 LEU N N 125.0 0.10 1 552 63 63 PRO HA H 4.06 0.01 1 553 63 63 PRO HB2 H 0.17 0.01 2 554 63 63 PRO HB3 H 0.17 0.01 2 555 63 63 PRO HD2 H 1.89 0.01 1 556 63 63 PRO HD3 H 1.60 0.01 1 557 63 63 PRO HG2 H 1.44 0.01 2 558 63 63 PRO HG3 H 1.44 0.01 2 559 63 63 PRO C C 176.6 0.07 1 560 63 63 PRO CA C 65.25 0.07 1 561 63 63 PRO CB C 30.77 0.07 1 562 64 64 PHE H H 7.45 0.01 1 563 64 64 PHE HA H 4.47 0.01 1 564 64 64 PHE HB2 H 2.95 0.01 1 565 64 64 PHE HB3 H 3.37 0.01 1 566 64 64 PHE HD1 H 7.58 0.01 3 567 64 64 PHE HD2 H 7.58 0.01 3 568 64 64 PHE HE1 H 7.14 0.01 3 569 64 64 PHE HE2 H 7.14 0.01 3 570 64 64 PHE HZ H 6.92 0.01 1 571 64 64 PHE C C 174.8 0.07 1 572 64 64 PHE CA C 57.7 0.07 1 573 64 64 PHE CB C 39.0 0.07 1 574 64 64 PHE N N 112.6 0.10 1 575 65 65 GLY H H 7.94 0.01 1 576 65 65 GLY HA2 H 4.37 0.01 1 577 65 65 GLY HA3 H 3.95 0.01 1 578 65 65 GLY C C 169.8 0.07 1 579 65 65 GLY CA C 44.79 0.07 1 580 65 65 GLY N N 107.8 0.10 1 581 66 66 ASN H H 8.91 0.01 1 582 66 66 ASN HA H 4.60 0.01 1 583 66 66 ASN HB2 H 2.85 0.01 2 584 66 66 ASN HB3 H 2.85 0.01 2 585 66 66 ASN HD21 H 6.89 0.01 1 586 66 66 ASN HD22 H 7.91 0.01 1 587 66 66 ASN C C 173.0 0.07 1 588 66 66 ASN CA C 53.55 0.07 1 589 66 66 ASN CB C 37.25 0.07 1 590 66 66 ASN CG C 174.9 0.07 1 591 66 66 ASN N N 117.0 0.10 1 592 66 66 ASN ND2 N 118.1 0.10 1 593 67 67 VAL H H 7.28 0.01 1 594 67 67 VAL HA H 3.84 0.01 1 595 67 67 VAL HB H 1.71 0.01 1 596 67 67 VAL HG1 H 0.69 0.01 1 597 67 67 VAL HG2 H 0.61 0.01 1 598 67 67 VAL C C 175.4 0.07 1 599 67 67 VAL CA C 61.85 0.07 1 600 67 67 VAL CB C 32.76 0.07 1 601 67 67 VAL CG1 C 21.89 0.07 1 602 67 67 VAL CG2 C 21.36 0.07 1 603 67 67 VAL N N 127.9 0.10 1 604 68 68 ILE H H 8.69 0.01 1 605 68 68 ILE HA H 4.04 0.01 1 606 68 68 ILE HB H 1.87 0.01 1 607 68 68 ILE HD1 H 0.72 0.01 1 608 68 68 ILE HG12 H 1.25 0.01 2 609 68 68 ILE HG13 H 1.25 0.01 2 610 68 68 ILE HG2 H 0.80 0.01 1 611 68 68 ILE C C 175.9 0.07 1 612 68 68 ILE CA C 62.1 0.07 1 613 68 68 ILE CB C 37.75 0.07 1 614 68 68 ILE CD1 C 12.64 0.07 1 615 68 68 ILE CG1 C 26.66 0.07 1 616 68 68 ILE CG2 C 17.33 0.07 1 617 68 68 ILE N N 127.9 0.10 1 618 69 69 SER H H 7.24 0.01 1 619 69 69 SER HA H 4.76 0.01 1 620 69 69 SER HB2 H 3.77 0.01 1 621 69 69 SER HB3 H 3.82 0.01 1 622 69 69 SER C C 170.7 0.07 1 623 69 69 SER CA C 57.51 0.07 1 624 69 69 SER CB C 65.76 0.07 1 625 69 69 SER N N 113.5 0.10 1 626 70 70 ALA H H 7.78 0.01 1 627 70 70 ALA HA H 5.20 0.01 1 628 70 70 ALA HB H 1.13 0.01 1 629 70 70 ALA C C 173.9 0.07 1 630 70 70 ALA CA C 51.28 0.07 1 631 70 70 ALA CB C 21.49 0.07 1 632 70 70 ALA N N 125.0 0.10 1 633 71 71 LYS H H 8.80 0.01 1 634 71 71 LYS HA H 4.62 0.01 1 635 71 71 LYS HB2 H 1.32 0.01 2 636 71 71 LYS HB3 H 1.32 0.01 2 637 71 71 LYS HD2 H 1.65 0.01 2 638 71 71 LYS HD3 H 1.65 0.01 2 639 71 71 LYS HE2 H 2.04 0.01 2 640 71 71 LYS HE3 H 2.04 0.01 2 641 71 71 LYS HG2 H 0.76 0.01 2 642 71 71 LYS HG3 H 0.76 0.01 2 643 71 71 LYS C C 173.0 0.07 1 644 71 71 LYS CA C 54.04 0.07 1 645 71 71 LYS CB C 36.70 0.07 1 646 71 71 LYS CD C 29.47 0.07 1 647 71 71 LYS CE C 39.38 0.07 1 648 71 71 LYS CG C 22.69 0.07 1 649 71 71 LYS N N 123.6 0.10 1 650 72 72 VAL H H 8.73 0.01 1 651 72 72 VAL HA H 3.81 0.01 1 652 72 72 VAL HB H 1.89 0.01 1 653 72 72 VAL HG1 H 0.68 0.01 1 654 72 72 VAL HG2 H 0.76 0.01 1 655 72 72 VAL C C 175.1 0.07 1 656 72 72 VAL CA C 62.05 0.07 1 657 72 72 VAL CB C 33.16 0.07 1 658 72 72 VAL CG1 C 21.57 0.07 1 659 72 72 VAL CG2 C 22.10 0.07 1 660 72 72 VAL N N 126.2 0.10 1 661 73 73 PHE H H 8.2 0.01 1 662 73 73 PHE HA H 4.65 0.01 1 663 73 73 PHE HB2 H 3.16 0.01 1 664 73 73 PHE HB3 H 3.06 0.01 1 665 73 73 PHE HD1 H 7.17 0.01 3 666 73 73 PHE HD2 H 7.17 0.01 3 667 73 73 PHE HE1 H 6.86 0.01 3 668 73 73 PHE HE2 H 6.86 0.01 3 669 73 73 PHE HZ H 7.40 0.01 1 670 73 73 PHE C C 173.5 0.07 1 671 73 73 PHE CA C 54.25 0.07 1 672 73 73 PHE CB C 39.17 0.07 1 673 73 73 PHE N N 122.9 0.10 1 674 74 74 ILE H H 8.37 0.01 1 675 74 74 ILE HA H 4.64 0.01 1 676 74 74 ILE HB H 1.78 0.01 1 677 74 74 ILE HD1 H 0.83 0.01 1 678 74 74 ILE HG12 H 1.39 0.01 2 679 74 74 ILE HG13 H 1.39 0.01 2 680 74 74 ILE HG2 H 0.80 0.01 1 681 74 74 ILE C C 175.4 0.07 1 682 74 74 ILE CA C 58.86 0.07 1 683 74 74 ILE CB C 40.26 0.07 1 684 74 74 ILE CD1 C 11.63 0.07 1 685 74 74 ILE CG1 C 28.18 0.07 1 686 74 74 ILE CG2 C 16.77 0.07 1 687 74 74 ILE N N 120.9 0.10 1 688 75 75 ASP H H 8.82 0.01 1 689 75 75 ASP HA H 4.75 0.01 1 690 75 75 ASP HB2 H 3.30 0.01 1 691 75 75 ASP HB3 H 2.54 0.01 1 692 75 75 ASP C C 176.1 0.07 1 693 75 75 ASP CA C 53.87 0.07 1 694 75 75 ASP CB C 42.40 0.07 1 695 75 75 ASP N N 126.6 0.10 1 696 76 76 LYS H H 8.93 0.01 1 697 76 76 LYS HA H 4.17 0.01 1 698 76 76 LYS HB2 H 1.96 0.01 2 699 76 76 LYS HB3 H 1.96 0.01 2 700 76 76 LYS HD2 H 1.78 0.01 2 701 76 76 LYS HD3 H 1.78 0.01 2 702 76 76 LYS HE2 H 2.25 0.01 2 703 76 76 LYS HE3 H 3.28 0.01 2 704 76 76 LYS HG2 H 1.57 0.01 2 705 76 76 LYS HG3 H 1.57 0.01 2 706 76 76 LYS C C 177.1 0.07 1 707 76 76 LYS CA C 58.36 0.07 1 708 76 76 LYS CB C 32.43 0.07 1 709 76 76 LYS CD C 29.91 0.07 1 710 76 76 LYS CE C 36.51 0.07 1 711 76 76 LYS CG C 25.18 0.07 1 712 76 76 LYS N N 127.7 0.10 1 713 77 77 GLN H H 8.69 0.01 1 714 77 77 GLN HA H 4.33 0.01 1 715 77 77 GLN HB2 H 2.30 0.01 2 716 77 77 GLN HB3 H 2.30 0.01 2 717 77 77 GLN HE21 H 6.90 0.01 1 718 77 77 GLN HE22 H 7.89 0.01 1 719 77 77 GLN HG2 H 2.44 0.01 1 720 77 77 GLN HG3 H 2.50 0.01 1 721 77 77 GLN C C 177.1 0.07 1 722 77 77 GLN CA C 57.97 0.07 1 723 77 77 GLN CB C 29.34 0.07 1 724 77 77 GLN CG C 34.11 0.07 1 725 77 77 GLN N N 118.1 0.10 1 726 77 77 GLN NE2 N 113.7 0.10 1 727 78 78 THR H H 7.98 0.01 1 728 78 78 THR HA H 4.41 0.01 1 729 78 78 THR HB H 4.36 0.01 1 730 78 78 THR HG1 H 4.36 0.01 1 731 78 78 THR HG2 H 1.27 0.01 1 732 78 78 THR C C 175.1 0.07 1 733 78 78 THR CA C 61.57 0.07 1 734 78 78 THR CB C 70.71 0.07 1 735 78 78 THR CG2 C 22.01 0.07 1 736 78 78 THR N N 108.7 0.10 1 737 79 79 SER H H 8.42 0.01 1 738 79 79 SER HA H 4.43 0.01 1 739 79 79 SER HB2 H 4.00 0.01 1 740 79 79 SER HB3 H 4.08 0.01 1 741 79 79 SER C C 172.3 0.07 1 742 79 79 SER CA C 60.53 0.07 1 743 79 79 SER CB C 62.23 0.07 1 744 79 79 SER N N 114.9 0.10 1 745 80 80 LEU H H 7.84 0.01 1 746 80 80 LEU HA H 4.54 0.01 1 747 80 80 LEU HB2 H 1.53 0.01 1 748 80 80 LEU HB3 H 1.77 0.01 1 749 80 80 LEU HD1 H 0.94 0.01 1 750 80 80 LEU HD2 H 0.90 0.01 1 751 80 80 LEU HG H 1.63 0.01 1 752 80 80 LEU C C 176.4 0.07 1 753 80 80 LEU CA C 53.89 0.07 1 754 80 80 LEU CB C 43.3 0.07 1 755 80 80 LEU CD1 C 24.61 0.07 1 756 80 80 LEU CD2 C 24.09 0.07 1 757 80 80 LEU CG C 26.2 0.07 1 758 80 80 LEU N N 120.7 0.10 1 759 81 81 SER H H 8.67 0.01 1 760 81 81 SER HA H 4.57 0.01 1 761 81 81 SER HB2 H 3.98 0.01 1 762 81 81 SER HB3 H 4.16 0.01 1 763 81 81 SER C C 176.1 0.07 1 764 81 81 SER CA C 58.55 0.07 1 765 81 81 SER CB C 63.73 0.07 1 766 81 81 SER N N 115.3 0.10 1 767 82 82 LYS H H 9.28 0.01 1 768 82 82 LYS HA H 4.61 0.01 1 769 82 82 LYS HB2 H 1.71 0.01 2 770 82 82 LYS HB3 H 1.71 0.01 2 771 82 82 LYS HD2 H 1.93 0.01 1 772 82 82 LYS HD3 H 2.15 0.01 1 773 82 82 LYS HE2 H 2.33 0.01 2 774 82 82 LYS HE3 H 2.33 0.01 2 775 82 82 LYS HG2 H 1.58 0.01 2 776 82 82 LYS HG3 H 1.58 0.01 2 777 82 82 LYS CA C 56.87 0.07 1 778 82 82 LYS CB C 33.44 0.07 1 779 82 82 LYS CD C 30.58 0.07 1 780 82 82 LYS CE C 36.32 0.07 1 781 82 82 LYS CG C 25.54 0.07 1 782 82 82 LYS N N 125.7 0.10 1 783 83 83 CYS H H 9.99 0.01 1 784 83 83 CYS HA H 4.56 0.01 1 785 83 83 CYS HB2 H 3.29 0.01 1 786 83 83 CYS HB3 H 2.29 0.01 1 787 83 83 CYS C C 176.1 0.07 1 788 83 83 CYS CA C 56.66 0.07 1 789 83 83 CYS CB C 32.29 0.07 1 790 83 83 CYS N N 113.8 0.10 1 791 84 84 PHE H H 8.24 0.01 1 792 84 84 PHE HA H 5.44 0.01 1 793 84 84 PHE HB2 H 3.21 0.01 1 794 84 84 PHE HB3 H 3.30 0.01 1 795 84 84 PHE HD1 H 7.08 0.01 3 796 84 84 PHE HD2 H 7.08 0.01 3 797 84 84 PHE HE1 H 6.80 0.01 3 798 84 84 PHE HE2 H 6.80 0.01 3 799 84 84 PHE HZ H 7.00 0.01 1 800 84 84 PHE C C 172.1 0.07 1 801 84 84 PHE CA C 55.35 0.07 1 802 84 84 PHE CB C 42.54 0.07 1 803 84 84 PHE N N 122.2 0.10 1 804 85 85 GLY H H 9.36 0.01 1 805 85 85 GLY HA2 H 3.63 0.01 1 806 85 85 GLY HA3 H 4.76 0.01 1 807 85 85 GLY C C 169.6 0.07 1 808 85 85 GLY CA C 45.9 0.07 1 809 85 85 GLY N N 108.3 0.10 1 810 86 86 PHE H H 8.91 0.01 1 811 86 86 PHE HA H 5.57 0.01 1 812 86 86 PHE HB2 H 2.65 0.01 1 813 86 86 PHE HB3 H 3.01 0.01 1 814 86 86 PHE HD1 H 6.81 0.01 3 815 86 86 PHE HD2 H 6.81 0.01 3 816 86 86 PHE HE1 H 7.06 0.01 3 817 86 86 PHE HE2 H 7.06 0.01 3 818 86 86 PHE HZ H 7.28 0.01 1 819 86 86 PHE C C 174.1 0.07 1 820 86 86 PHE CA C 55.54 0.07 1 821 86 86 PHE CB C 44.12 0.07 1 822 86 86 PHE N N 120.8 0.10 1 823 87 87 VAL H H 7.93 0.01 1 824 87 87 VAL HA H 4.43 0.01 1 825 87 87 VAL HB H 0.96 0.01 1 826 87 87 VAL HG1 H 0.27 0.01 1 827 87 87 VAL HG2 H 0.10 0.01 1 828 87 87 VAL C C 172.1 0.07 1 829 87 87 VAL CA C 59.86 0.07 1 830 87 87 VAL CB C 36.81 0.07 1 831 87 87 VAL CG1 C 22.05 0.07 1 832 87 87 VAL CG2 C 21.00 0.07 1 833 87 87 VAL N N 124.4 0.10 1 834 88 88 SER H H 8.22 0.01 1 835 88 88 SER HA H 5.37 0.01 1 836 88 88 SER HB2 H 4.46 0.01 1 837 88 88 SER HB3 H 3.86 0.01 1 838 88 88 SER C C 173.3 0.07 1 839 88 88 SER CA C 55.66 0.07 1 840 88 88 SER CB C 66.54 0.07 1 841 88 88 SER N N 118.3 0.10 1 842 89 89 PHE H H 8.41 0.01 1 843 89 89 PHE HA H 5.60 0.01 1 844 89 89 PHE HB2 H 2.90 0.01 1 845 89 89 PHE HB3 H 3.51 0.01 1 846 89 89 PHE HD1 H 7.49 0.01 3 847 89 89 PHE HD2 H 7.49 0.01 3 848 89 89 PHE HE1 H 7.34 0.01 3 849 89 89 PHE HE2 H 7.34 0.01 3 850 89 89 PHE HZ H 7.11 0.01 1 851 89 89 PHE C C 173.8 0.07 1 852 89 89 PHE CA C 56.61 0.07 1 853 89 89 PHE CB C 44.02 0.07 1 854 89 89 PHE N N 121.6 0.10 1 855 90 90 ASP H H 8.04 0.01 1 856 90 90 ASP HA H 4.63 0.01 1 857 90 90 ASP HB2 H 3.00 0.01 1 858 90 90 ASP HB3 H 3.21 0.01 1 859 90 90 ASP C C 175.4 0.07 1 860 90 90 ASP CA C 53.14 0.07 1 861 90 90 ASP CB C 41.02 0.07 1 862 90 90 ASP N N 113.8 0.10 1 863 91 91 ASN H H 7.46 0.01 1 864 91 91 ASN HA H 5.12 0.01 1 865 91 91 ASN HB2 H 2.88 0.01 2 866 91 91 ASN HB3 H 2.88 0.01 2 867 91 91 ASN HD21 H 7.50 0.01 1 868 91 91 ASN HD22 H 8.06 0.01 1 869 91 91 ASN C C 172.8 0.07 1 870 91 91 ASN CA C 51.77 0.07 1 871 91 91 ASN CB C 41.5 0.07 1 872 91 91 ASN CG C 176.5 0.07 1 873 91 91 ASN N N 116.1 0.10 1 874 91 91 ASN ND2 N 115.9 0.10 1 875 92 92 PRO HA H 4.46 0.01 1 876 92 92 PRO HB2 H 2.15 0.01 2 877 92 92 PRO HB3 H 2.15 0.01 2 878 92 92 PRO HD2 H 3.51 0.01 1 879 92 92 PRO HD3 H 3.20 0.01 1 880 92 92 PRO HG2 H 2.28 0.01 2 881 92 92 PRO HG3 H 2.28 0.01 2 882 92 92 PRO C C 178.4 0.07 1 883 92 92 PRO CA C 64.51 0.07 1 884 92 92 PRO CB C 31.93 0.07 1 885 93 93 ASP H H 8.22 0.01 1 886 93 93 ASP HA H 4.46 0.01 1 887 93 93 ASP HB2 H 2.83 0.01 1 888 93 93 ASP HB3 H 2.72 0.01 1 889 93 93 ASP C C 178.4 0.07 1 890 93 93 ASP CA C 57.62 0.07 1 891 93 93 ASP CB C 39.74 0.07 1 892 93 93 ASP N N 124.0 0.10 1 893 94 94 SER H H 8.28 0.01 1 894 94 94 SER HA H 3.88 0.01 1 895 94 94 SER HB2 H 4.48 0.01 2 896 94 94 SER HB3 H 4.48 0.01 2 897 94 94 SER C C 173.4 0.07 1 898 94 94 SER CA C 62.71 0.07 1 899 94 94 SER CB C 62.81 0.07 1 900 94 94 SER N N 117.9 0.10 1 901 95 95 ALA H H 6.35 0.01 1 902 95 95 ALA HA H 3.65 0.01 1 903 95 95 ALA HB H 1.51 0.01 1 904 95 95 ALA C C 177.4 0.07 1 905 95 95 ALA CA C 55.03 0.07 1 906 95 95 ALA CB C 18.13 0.07 1 907 95 95 ALA N N 120.0 0.10 1 908 96 96 GLN H H 7.60 0.01 1 909 96 96 GLN HA H 3.94 0.01 1 910 96 96 GLN HB2 H 2.25 0.01 1 911 96 96 GLN HB3 H 2.25 0.01 1 912 96 96 GLN HE21 H 6.90 0.01 1 913 96 96 GLN HE22 H 7.88 0.01 1 914 96 96 GLN HG2 H 2.59 0.01 1 915 96 96 GLN HG3 H 2.59 0.01 1 916 96 96 GLN C C 178.6 0.07 1 917 96 96 GLN CA C 58.8 0.07 1 918 96 96 GLN CB C 28.27 0.07 1 919 96 96 GLN CG C 33.39 0.07 1 920 96 96 GLN N N 115.5 0.10 1 921 96 96 GLN NE2 N 113.3 0.10 1 922 97 97 VAL H H 8.06 0.01 1 923 97 97 VAL HA H 3.55 0.01 1 924 97 97 VAL HB H 2.19 0.01 1 925 97 97 VAL HG1 H 1.11 0.01 1 926 97 97 VAL HG2 H 1.11 0.01 1 927 97 97 VAL C C 177.5 0.07 1 928 97 97 VAL CA C 66.21 0.07 1 929 97 97 VAL CB C 31.58 0.07 1 930 97 97 VAL CG1 C 21.87 0.07 1 931 97 97 VAL CG2 C 21.87 0.07 1 932 97 97 VAL N N 120.9 0.01 1 933 98 98 ALA H H 7.92 0.01 1 934 98 98 ALA HA H 2.64 0.01 1 935 98 98 ALA HB H 1.38 0.01 1 936 98 98 ALA C C 178.7 0.07 1 937 98 98 ALA CA C 54.69 0.07 1 938 98 98 ALA CB C 19.37 0.07 1 939 98 98 ALA N N 122.2 0.10 1 940 99 99 ILE H H 8.07 0.01 1 941 99 99 ILE HA H 3.85 0.01 1 942 99 99 ILE HB H 1.80 0.01 1 943 99 99 ILE HD1 H 0.84 0.01 1 944 99 99 ILE HG12 H 1.80 0.01 1 945 99 99 ILE HG13 H 0.72 0.01 1 946 99 99 ILE HG2 H 0.97 0.01 1 947 99 99 ILE C C 176.9 0.07 1 948 99 99 ILE CA C 66.33 0.07 1 949 99 99 ILE CB C 38.61 0.07 1 950 99 99 ILE CD1 C 14.20 0.07 1 951 99 99 ILE CG1 C 30.55 0.07 1 952 99 99 ILE CG2 C 17.33 0.07 1 953 99 99 ILE N N 118.3 0.10 1 954 100 100 LYS H H 7.48 0.01 1 955 100 100 LYS HA H 4.03 0.01 1 956 100 100 LYS HB2 H 1.93 0.01 2 957 100 100 LYS HB3 H 1.93 0.01 2 958 100 100 LYS HD2 H 1.74 0.01 2 959 100 100 LYS HD3 H 1.74 0.01 2 960 100 100 LYS HE2 H 3.13 0.01 1 961 100 100 LYS HE3 H 3.31 0.01 1 962 100 100 LYS HG2 H 1.61 0.01 1 963 100 100 LYS HG3 H 1.53 0.01 1 964 100 100 LYS C C 178.1 0.07 1 965 100 100 LYS CA C 59.05 0.07 1 966 100 100 LYS CB C 32.33 0.07 1 967 100 100 LYS CE C 38.8 0.07 1 968 100 100 LYS CG C 24.57 0.07 1 969 100 100 LYS N N 118.8 0.10 1 970 101 101 ALA H H 8.03 0.01 1 971 101 101 ALA HA H 4.24 0.01 1 972 101 101 ALA HB H 1.21 0.01 1 973 101 101 ALA C C 179.2 0.07 1 974 101 101 ALA CA C 54.26 0.07 1 975 101 101 ALA CB C 20.7 0.07 1 976 101 101 ALA N N 118.3 0.10 1 977 102 102 MET H H 8.13 0.01 1 978 102 102 MET HA H 4.97 0.01 1 979 102 102 MET HB2 H 2.03 0.01 1 980 102 102 MET HB3 H 2.13 0.01 1 981 102 102 MET HE H 1.19 0.01 1 982 102 102 MET HG2 H 1.83 0.01 1 983 102 102 MET HG3 H 1.96 0.01 1 984 102 102 MET C C 173.8 0.07 1 985 102 102 MET CA C 53.32 0.07 1 986 102 102 MET CB C 32.60 0.07 1 987 102 102 MET CG C 32.46 0.07 1 988 102 102 MET N N 111.3 0.10 1 989 103 103 ASN H H 8.36 0.01 1 990 103 103 ASN HA H 4.59 0.01 1 991 103 103 ASN HB2 H 3.15 0.01 1 992 103 103 ASN HB3 H 3.04 0.01 1 993 103 103 ASN HD21 H 7.20 0.01 1 994 103 103 ASN HD22 H 7.93 0.01 1 995 103 103 ASN C C 175.9 0.07 1 996 103 103 ASN CA C 58.38 0.07 1 997 103 103 ASN CB C 42.64 0.07 1 998 103 103 ASN CG C 176.1 0.07 1 999 103 103 ASN N N 119.6 0.10 1 1000 103 103 ASN ND2 N 115.0 0.10 1 1001 104 104 GLY H H 9.19 0.01 1 1002 104 104 GLY HA2 H 4.45 0.01 1 1003 104 104 GLY HA3 H 3.73 0.01 1 1004 104 104 GLY C C 172.4 0.07 1 1005 104 104 GLY CA C 45.64 0.07 1 1006 104 104 GLY N N 118.7 0.10 1 1007 105 105 PHE H H 8.05 0.01 1 1008 105 105 PHE HA H 4.38 0.01 1 1009 105 105 PHE HB2 H 3.35 0.01 1 1010 105 105 PHE HB3 H 3.11 0.01 1 1011 105 105 PHE HD1 H 7.16 0.01 3 1012 105 105 PHE HD2 H 7.16 0.01 3 1013 105 105 PHE HE1 H 7.36 0.01 3 1014 105 105 PHE HE2 H 7.36 0.01 3 1015 105 105 PHE HZ H 7.24 0.01 1 1016 105 105 PHE C C 174.2 0.07 1 1017 105 105 PHE CA C 58.79 0.07 1 1018 105 105 PHE CB C 41.71 0.07 1 1019 105 105 PHE N N 124.4 0.10 1 1020 106 106 GLN H H 7.98 0.01 1 1021 106 106 GLN HA H 4.69 0.01 1 1022 106 106 GLN HB2 H 1.87 0.01 1 1023 106 106 GLN HB3 H 1.76 0.01 1 1024 106 106 GLN HE21 H 6.88 0.01 1 1025 106 106 GLN HE22 H 7.38 0.01 1 1026 106 106 GLN HG2 H 2.10 0.01 2 1027 106 106 GLN HG3 H 2.10 0.01 2 1028 106 106 GLN C C 173.6 0.07 1 1029 106 106 GLN CA C 58.86 0.07 1 1030 106 106 GLN CB C 28.76 0.07 1 1031 106 106 GLN CG C 33.1 0.07 1 1032 106 106 GLN N N 128.4 0.10 1 1033 106 106 GLN NE2 N 110.6 0.10 1 1034 107 107 VAL H H 8.48 0.01 1 1035 107 107 VAL HA H 4.19 0.01 1 1036 107 107 VAL HB H 1.94 0.01 1 1037 107 107 VAL HG1 H 1.06 0.01 1 1038 107 107 VAL HG2 H 0.95 0.01 1 1039 107 107 VAL C C 174.7 0.07 1 1040 107 107 VAL CA C 61.06 0.07 1 1041 107 107 VAL CB C 33.22 0.07 1 1042 107 107 VAL CG1 C 20.87 0.07 1 1043 107 107 VAL CG2 C 21.39 0.07 1 1044 107 107 VAL N N 127.5 0.10 1 1045 108 108 GLY H H 8.87 0.01 1 1046 108 108 GLY HA2 H 4.19 0.01 1 1047 108 108 GLY HA3 H 3.75 0.01 1 1048 108 108 GLY C C 173.6 0.07 1 1049 108 108 GLY CA C 46.78 0.07 1 1050 108 108 GLY N N 116.6 0.10 1 1051 109 109 THR H H 8.71 0.01 1 1052 109 109 THR HA H 4.31 0.01 1 1053 109 109 THR HB H 4.55 0.01 1 1054 109 109 THR HG2 H 1.26 0.01 1 1055 109 109 THR C C 173.8 0.07 1 1056 109 109 THR CA C 62.11 0.07 1 1057 109 109 THR CB C 68.97 0.07 1 1058 109 109 THR CG2 C 21.13 0.07 1 1059 109 109 THR N N 117.9 0.10 1 1060 110 110 LYS H H 7.95 0.01 1 1061 110 110 LYS HA H 4.68 0.01 1 1062 110 110 LYS HB2 H 1.92 0.01 1 1063 110 110 LYS HB3 H 1.99 0.01 1 1064 110 110 LYS HD2 H 1.77 0.01 1 1065 110 110 LYS HD3 H 1.86 0.01 1 1066 110 110 LYS HE2 H 3.07 0.01 1 1067 110 110 LYS HE3 H 3.16 0.01 1 1068 110 110 LYS HG2 H 1.38 0.01 1 1069 110 110 LYS HG3 H 1.38 0.01 1 1070 110 110 LYS C C 174.3 0.07 1 1071 110 110 LYS CA C 54.57 0.07 1 1072 110 110 LYS CB C 35.38 0.07 1 1073 110 110 LYS CD C 28.68 0.07 1 1074 110 110 LYS CE C 38.59 0.07 1 1075 110 110 LYS CG C 24.51 0.07 1 1076 110 110 LYS N N 122.2 0.10 1 1077 111 111 ARG H H 8.29 0.01 1 1078 111 111 ARG HA H 4.80 0.01 1 1079 111 111 ARG HB2 H 1.43 0.01 1 1080 111 111 ARG HB3 H 1.68 0.01 1 1081 111 111 ARG HD2 H 3.22 0.01 1 1082 111 111 ARG HD3 H 3.30 0.01 1 1083 111 111 ARG HE H 7.84 0.01 1 1084 111 111 ARG HG2 H 1.32 0.01 1 1085 111 111 ARG HG3 H 1.59 0.01 1 1086 111 111 ARG HH11 H 6.98 0.01 2 1087 111 111 ARG HH12 H 6.98 0.01 2 1088 111 111 ARG HH21 H 7.04 0.01 2 1089 111 111 ARG HH22 H 7.04 0.01 2 1090 111 111 ARG C C 175.5 0.07 1 1091 111 111 ARG CA C 54.54 0.07 1 1092 111 111 ARG CB C 31.39 0.07 1 1093 111 111 ARG CD C 43.31 0.07 1 1094 111 111 ARG CG C 27.70 0.07 1 1095 111 111 ARG N N 119.6 0.10 1 1096 112 112 LEU H H 9.04 0.01 1 1097 112 112 LEU HA H 4.46 0.01 1 1098 112 112 LEU HB2 H 2.43 0.01 1 1099 112 112 LEU HB3 H 1.45 0.01 1 1100 112 112 LEU HD1 H 0.93 0.01 1 1101 112 112 LEU HD2 H 0.76 0.01 1 1102 112 112 LEU HG H 2.18 0.01 1 1103 112 112 LEU C C 177.2 0.07 1 1104 112 112 LEU CA C 55.3 0.07 1 1105 112 112 LEU CB C 43.53 0.07 1 1106 112 112 LEU CD1 C 25.27 0.07 1 1107 112 112 LEU CD2 C 22.66 0.07 1 1108 112 112 LEU CG C 26.32 0.07 1 1109 112 112 LEU N N 123.1 0.10 1 1110 113 113 LYS H H 8.06 0.01 1 1111 113 113 LYS HA H 5.23 0.01 1 1112 113 113 LYS HB2 H 1.67 0.01 2 1113 113 113 LYS HB3 H 1.67 0.01 2 1114 113 113 LYS HD2 H 1.57 0.01 1 1115 113 113 LYS HD3 H 1.73 0.01 1 1116 113 113 LYS HE2 H 2.87 0.01 2 1117 113 113 LYS HE3 H 2.87 0.01 2 1118 113 113 LYS HG2 H 1.56 0.01 1 1119 113 113 LYS HG3 H 1.28 0.01 1 1120 113 113 LYS C C 173.7 0.07 1 1121 113 113 LYS CA C 54.75 0.07 1 1122 113 113 LYS CB C 34.66 0.07 1 1123 113 113 LYS CD C 29.67 0.07 1 1124 113 113 LYS CE C 41.45 0.07 1 1125 113 113 LYS CG C 24.54 0.07 1 1126 113 113 LYS N N 123.6 0.10 1 1127 114 114 VAL H H 8.85 0.01 1 1128 114 114 VAL HA H 5.06 0.01 1 1129 114 114 VAL HB H 1.94 0.01 1 1130 114 114 VAL HG1 H 1.07 0.01 1 1131 114 114 VAL HG2 H 0.96 0.01 1 1132 114 114 VAL C C 173.3 0.07 1 1133 114 114 VAL CA C 61.14 0.07 1 1134 114 114 VAL CB C 34.21 0.07 1 1135 114 114 VAL CG1 C 22.10 0.07 1 1136 114 114 VAL CG2 C 23.67 0.07 1 1137 114 114 VAL N N 127.5 0.10 1 1138 115 115 GLN H H 9.17 0.01 1 1139 115 115 GLN HA H 4.90 0.01 1 1140 115 115 GLN HB2 H 2.17 0.01 1 1141 115 115 GLN HB3 H 2.30 0.01 1 1142 115 115 GLN HE21 H 6.91 0.01 1 1143 115 115 GLN HE22 H 7.78 0.01 1 1144 115 115 GLN HG2 H 2.44 0.01 2 1145 115 115 GLN HG3 H 2.44 0.01 2 1146 115 115 GLN C C 173.3 0.07 1 1147 115 115 GLN CA C 53.67 0.07 1 1148 115 115 GLN CB C 33.67 0.07 1 1149 115 115 GLN CG C 33.16 0.07 1 1150 115 115 GLN N N 124.0 0.10 1 1151 115 115 GLN NE2 N 112.4 0.10 1 1152 116 116 LEU H H 8.80 0.01 1 1153 116 116 LEU HA H 4.61 0.01 1 1154 116 116 LEU HB2 H 1.71 0.01 1 1155 116 116 LEU HB3 H 1.64 0.01 1 1156 116 116 LEU HD1 H 0.94 0.01 1 1157 116 116 LEU HD2 H 0.88 0.01 1 1158 116 116 LEU HG H 1.37 0.01 1 1159 116 116 LEU C C 176.9 0.07 1 1160 116 116 LEU CA C 55.48 0.07 1 1161 116 116 LEU CB C 42.87 0.07 1 1162 116 116 LEU CD1 C 24.62 0.07 1 1163 116 116 LEU CD2 C 24.10 0.07 1 1164 116 116 LEU CG C 28.04 0.07 1 1165 116 116 LEU N N 124.0 0.10 1 1166 117 117 LYS H H 8.43 0.01 1 1167 117 117 LYS HA H 4.30 0.01 1 1168 117 117 LYS HB2 H 1.38 0.01 1 1169 117 117 LYS HB3 H 1.46 0.01 1 1170 117 117 LYS HD2 H 1.56 0.01 2 1171 117 117 LYS HD3 H 1.56 0.01 2 1172 117 117 LYS HE2 H 3.26 0.01 1 1173 117 117 LYS HE3 H 3.00 0.01 1 1174 117 117 LYS HG2 H 1.71 0.01 2 1175 117 117 LYS HG3 H 1.71 0.01 2 1176 117 117 LYS C C 174.6 0.07 1 1177 117 117 LYS CA C 56.88 0.07 1 1178 117 117 LYS CB C 33.45 0.07 1 1179 117 117 LYS CD C 28.06 0.07 1 1180 117 117 LYS CE C 39.54 0.07 1 1181 117 117 LYS CG C 24.61 0.07 1 1182 117 117 LYS N N 125.7 0.10 1 1183 118 118 LYS H H 8.60 0.01 1 1184 118 118 LYS HA H 4.69 0.01 1 1185 118 118 LYS HB2 H 1.90 0.01 1 1186 118 118 LYS HB3 H 2.01 0.01 1 1187 118 118 LYS HD2 H 1.72 0.01 1 1188 118 118 LYS HD3 H 1.72 0.01 1 1189 118 118 LYS HE2 H 3.07 0.01 1 1190 118 118 LYS HE3 H 3.15 0.01 1 1191 118 118 LYS HG2 H 1.38 0.01 1 1192 118 118 LYS HG3 H 1.54 0.01 1 1193 118 118 LYS C C 174.2 0.07 1 1194 118 118 LYS CA C 54.42 0.07 1 1195 118 118 LYS CB C 32.58 0.07 1 1196 118 118 LYS CD C 32.43 0.07 1 1197 118 118 LYS CE C 38.69 0.07 1 1198 118 118 LYS CG C 24.61 0.07 1 1199 118 118 LYS N N 127.8 0.1 1 stop_ save_