data_5061 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for DNA-binding domain of ADR6 ; _BMRB_accession_number 5061 _BMRB_flat_file_name bmr5061.str _Entry_type original _Submission_date 2001-06-18 _Accession_date 2001-06-19 _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 Tu Xiaoming . . 2 Wu Jihui . . 3 Xu Yingqi . . 4 Shi Yunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 463 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-07 original author . stop_ _Original_release_date 2001-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments and secondary structure of ADR6 DNA-binding domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tu Xiaoming . . 2 Wu Jihui . . 3 Xu Yingqi . . 4 Shi Yunyu . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 21 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 188 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_DBD-ADR6 _Saveframe_category molecular_system _Mol_system_name 'DNA-binding domain of ADR6' _Abbreviation_common DBD-ADR6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DBD-ADR6 monomer' $DBD-ADR6_monomer 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_DBD-ADR6_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'DNA-binding domain of ADR6' _Abbreviation_common DBD-ADR6 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; RGSGSHHHHHHGSNNKQYEL FMKSLIENCKKRNMPLQSIP EIGNRKINLFYLYMLVQKFG GADQVTRTQQWSMVAQRLQI SDYQQLESIYFRILLPYERH MISQEGIKETQAKRILQPSL IS ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 GLY 3 SER 4 GLY 5 SER 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 HIS 12 GLY 13 SER 14 ASN 15 ASN 16 LYS 17 GLN 18 TYR 19 GLU 20 LEU 21 PHE 22 MET 23 LYS 24 SER 25 LEU 26 ILE 27 GLU 28 ASN 29 CYS 30 LYS 31 LYS 32 ARG 33 ASN 34 MET 35 PRO 36 LEU 37 GLN 38 SER 39 ILE 40 PRO 41 GLU 42 ILE 43 GLY 44 ASN 45 ARG 46 LYS 47 ILE 48 ASN 49 LEU 50 PHE 51 TYR 52 LEU 53 TYR 54 MET 55 LEU 56 VAL 57 GLN 58 LYS 59 PHE 60 GLY 61 GLY 62 ALA 63 ASP 64 GLN 65 VAL 66 THR 67 ARG 68 THR 69 GLN 70 GLN 71 TRP 72 SER 73 MET 74 VAL 75 ALA 76 GLN 77 ARG 78 LEU 79 GLN 80 ILE 81 SER 82 ASP 83 TYR 84 GLN 85 GLN 86 LEU 87 GLU 88 SER 89 ILE 90 TYR 91 PHE 92 ARG 93 ILE 94 LEU 95 LEU 96 PRO 97 TYR 98 GLU 99 ARG 100 HIS 101 MET 102 ILE 103 SER 104 GLN 105 GLU 106 GLY 107 ILE 108 LYS 109 GLU 110 THR 111 GLN 112 ALA 113 LYS 114 ARG 115 ILE 116 LEU 117 GLN 118 PRO 119 SER 120 LEU 121 ILE 122 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 17880 yeast_protein 83.61 125 99.02 100.00 3.54e-67 PDB 1KKX "Solution Structure Of The Dna-Binding Domain Of Adr6" 100.00 123 100.00 100.00 5.48e-84 PDB 1KN5 "Solution Structure Of Arid Domain Of Adr6 From Saccharomyces Cerevisiae" 100.00 123 100.00 100.00 5.48e-84 PDB 2LI6 "1h, 13c, And 15n Chemical Shift Assignments For Yeast Protein" 82.79 116 100.00 100.00 2.19e-67 DBJ GAA26956 "K7_Swi1bp, partial [Saccharomyces cerevisiae Kyokai no. 7]" 84.43 1140 99.03 99.03 1.10e-62 EMBL CAA31013 "unnamed protein product [Saccharomyces cerevisiae]" 84.43 1314 99.03 99.03 2.49e-63 EMBL CAY86943 "Swi1p [Saccharomyces cerevisiae EC1118]" 84.43 1228 99.03 99.03 7.47e-63 GB AAB68089 "Swi1p: contains zinc-finger, global transcription activator, involved in the regulation of expression of many genes, includes A" 84.43 1314 99.03 99.03 2.49e-63 GB AHY78155 "Swi1p [Saccharomyces cerevisiae YJM993]" 84.43 1319 98.06 99.03 9.93e-63 GB EDN61122 "transcription factor [Saccharomyces cerevisiae YJM789]" 84.43 1329 99.03 99.03 4.08e-63 GB EDV11194 "transcription regulatory protein SWI1 [Saccharomyces cerevisiae RM11-1a]" 84.43 1317 99.03 99.03 3.75e-63 GB EDZ68798 "YPL016Wp-like protein [Saccharomyces cerevisiae AWRI1631]" 84.43 919 99.03 99.03 9.05e-63 REF NP_015309 "Swi1p [Saccharomyces cerevisiae S288c]" 84.43 1314 99.03 99.03 2.49e-63 SP P09547 "RecName: Full=SWI/SNF chromatin-remodeling complex subunit SWI1; AltName: Full=Regulatory protein GAM3; AltName: Full=SWI/SNF c" 84.43 1314 99.03 99.03 2.49e-63 TPG DAA11412 "TPA: Swi1p [Saccharomyces cerevisiae S288c]" 84.43 1314 99.03 99.03 2.49e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DBD-ADR6_monomer yeast 4932 Eubacteria Fungi Saccharomyces cerevisiae 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 $DBD-ADR6_monomer 'recombinant technology' . . . . . 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 $DBD-ADR6_monomer 1.0 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ####################### # Sample conditions # ####################### save_1_mM_DBD-ADR6_protein _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.92 0.2 n/a temperature 300 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $1_mM_DBD-ADR6_protein _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'DBD-ADR6 monomer' _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 . 12 GLY H H 8.60 0.04 1 2 . 12 GLY HA2 H 4.03 0.04 2 3 . 12 GLY HA3 H 3.99 0.04 2 4 . 12 GLY C C 173.99 0.50 1 5 . 12 GLY CA C 44.81 0.50 1 6 . 12 GLY N N 111.20 0.50 1 7 . 13 SER H H 8.41 0.04 1 8 . 13 SER HA H 4.50 0.04 1 9 . 13 SER HB2 H 3.85 0.04 1 10 . 13 SER HB3 H 3.85 0.04 1 11 . 13 SER C C 174.62 0.50 1 12 . 13 SER CA C 57.95 0.50 1 13 . 13 SER CB C 63.76 0.50 1 14 . 13 SER N N 115.75 0.50 1 15 . 14 ASN H H 8.65 0.04 1 16 . 14 ASN HA H 4.76 0.04 1 17 . 14 ASN HB2 H 2.83 0.04 1 18 . 14 ASN HB3 H 2.83 0.04 1 19 . 14 ASN HD21 H 7.66 0.04 2 20 . 14 ASN HD22 H 6.94 0.04 2 21 . 14 ASN C C 175.23 0.50 1 22 . 14 ASN CA C 53.19 0.50 1 23 . 14 ASN CB C 38.60 0.50 1 24 . 14 ASN N N 121.12 0.50 1 25 . 14 ASN ND2 N 112.26 0.50 1 26 . 15 ASN H H 8.51 0.04 1 27 . 15 ASN HA H 4.78 0.04 1 28 . 15 ASN HB2 H 2.90 0.04 2 29 . 15 ASN HB3 H 2.81 0.04 2 30 . 15 ASN HD21 H 7.72 0.04 2 31 . 15 ASN HD22 H 6.90 0.04 2 32 . 15 ASN C C 175.92 0.50 1 33 . 15 ASN CA C 53.42 0.50 1 34 . 15 ASN CB C 38.55 0.50 1 35 . 15 ASN N N 120.00 0.50 1 36 . 15 ASN ND2 N 112.03 0.50 1 37 . 16 LYS H H 8.38 0.04 1 38 . 16 LYS HA H 4.12 0.04 1 39 . 16 LYS HB2 H 1.87 0.04 1 40 . 16 LYS HB3 H 1.87 0.04 1 41 . 16 LYS HG2 H 1.49 0.04 2 42 . 16 LYS HG3 H 1.43 0.04 2 43 . 16 LYS HD2 H 1.70 0.04 1 44 . 16 LYS HD3 H 1.70 0.04 1 45 . 16 LYS HE2 H 2.98 0.04 1 46 . 16 LYS HE3 H 2.98 0.04 1 47 . 16 LYS C C 178.05 0.50 1 48 . 16 LYS CA C 58.48 0.50 1 49 . 16 LYS CB C 31.87 0.50 1 50 . 16 LYS CG C 24.86 0.50 1 51 . 16 LYS CD C 29.08 0.50 1 52 . 16 LYS CE C 42.12 0.50 1 53 . 16 LYS N N 122.10 0.50 1 54 . 17 GLN H H 8.30 0.04 1 55 . 17 GLN HA H 3.95 0.04 1 56 . 17 GLN HB2 H 2.15 0.04 2 57 . 17 GLN HB3 H 2.13 0.04 2 58 . 17 GLN HG2 H 2.51 0.04 1 59 . 17 GLN HG3 H 2.51 0.04 1 60 . 17 GLN C C 178.24 0.50 1 61 . 17 GLN CA C 58.85 0.50 1 62 . 17 GLN CB C 28.20 0.50 1 63 . 17 GLN CG C 34.80 0.50 1 64 . 18 TYR H H 7.93 0.04 1 65 . 18 TYR HA H 3.11 0.04 1 66 . 18 TYR HB2 H 2.94 0.04 2 67 . 18 TYR HB3 H 2.82 0.04 2 68 . 18 TYR C C 176.99 0.50 1 69 . 18 TYR CA C 60.84 0.50 1 70 . 18 TYR CB C 37.83 0.50 1 71 . 18 TYR N N 121.20 0.50 1 72 . 19 GLU H H 8.10 0.04 1 73 . 19 GLU HA H 3.75 0.04 1 74 . 19 GLU HB2 H 2.13 0.04 2 75 . 19 GLU HB3 H 2.02 0.04 2 76 . 19 GLU HG2 H 2.54 0.04 2 77 . 19 GLU HG3 H 2.43 0.04 2 78 . 19 GLU C C 176.70 0.50 1 79 . 19 GLU CA C 58.88 0.50 1 80 . 19 GLU CB C 28.38 0.50 1 81 . 19 GLU CG C 34.97 0.50 1 82 . 19 GLU N N 118.50 0.50 1 83 . 20 LEU H H 8.19 0.04 1 84 . 20 LEU HA H 4.00 0.04 1 85 . 20 LEU HB2 H 1.77 0.04 2 86 . 20 LEU HB3 H 1.33 0.04 2 87 . 20 LEU HG H 1.55 0.04 1 88 . 20 LEU HD1 H 0.87 0.04 1 89 . 20 LEU HD2 H 0.87 0.04 1 90 . 20 LEU C C 179.80 0.50 1 91 . 20 LEU CA C 57.58 0.50 1 92 . 20 LEU CB C 41.33 0.50 1 93 . 20 LEU CG C 26.94 0.50 2 94 . 20 LEU CD1 C 24.88 0.50 1 95 . 20 LEU CD2 C 23.20 0.50 1 96 . 20 LEU N N 120.00 0.50 1 97 . 21 PHE H H 7.94 0.04 1 98 . 21 PHE HA H 4.05 0.04 1 99 . 21 PHE HB2 H 3.03 0.04 2 100 . 21 PHE HB3 H 2.84 0.04 2 101 . 21 PHE C C 176.62 0.50 1 102 . 21 PHE CA C 61.13 0.50 1 103 . 21 PHE CB C 38.82 0.50 1 104 . 21 PHE N N 122.10 0.50 1 105 . 22 MET H H 8.40 0.04 1 106 . 22 MET HA H 4.03 0.04 1 107 . 22 MET HB2 H 1.77 0.04 1 108 . 22 MET HB3 H 1.77 0.04 1 109 . 22 MET HG2 H 2.27 0.04 2 110 . 22 MET HG3 H 1.91 0.04 2 111 . 22 MET HE H 2.04 0.04 1 112 . 22 MET C C 178.55 0.50 1 113 . 22 MET CA C 55.51 0.50 1 114 . 22 MET CB C 28.58 0.50 1 115 . 22 MET CG C 31.92 0.50 1 116 . 22 MET CE C 16.70 0.50 1 117 . 22 MET N N 117.48 0.50 1 118 . 23 LYS H H 7.94 0.04 1 119 . 23 LYS HA H 3.84 0.04 1 120 . 23 LYS HB2 H 1.83 0.04 1 121 . 23 LYS HB3 H 1.83 0.04 1 122 . 23 LYS HG2 H 1.50 0.04 2 123 . 23 LYS HG3 H 1.35 0.04 2 124 . 23 LYS HD2 H 1.62 0.04 1 125 . 23 LYS HD3 H 1.62 0.04 1 126 . 23 LYS HE2 H 2.94 0.04 1 127 . 23 LYS HE3 H 2.94 0.04 1 128 . 23 LYS C C 179.08 0.50 1 129 . 23 LYS CA C 59.70 0.50 1 130 . 23 LYS CB C 32.25 0.50 1 131 . 23 LYS CG C 25.28 0.50 1 132 . 23 LYS CD C 29.05 0.50 1 133 . 23 LYS CE C 42.13 0.50 1 134 . 23 LYS N N 118.55 0.50 1 135 . 24 SER H H 7.52 0.04 1 136 . 24 SER HA H 4.18 0.04 1 137 . 24 SER HB2 H 4.00 0.04 1 138 . 24 SER HB3 H 4.00 0.04 1 139 . 24 SER C C 177.36 0.50 1 140 . 24 SER CA C 60.82 0.50 1 141 . 24 SER CB C 62.77 0.50 1 142 . 24 SER N N 114.30 0.50 1 143 . 25 LEU H H 8.59 0.04 1 144 . 25 LEU HA H 3.50 0.04 1 145 . 25 LEU HB2 H 1.33 0.04 2 146 . 25 LEU HB3 H 0.05 0.04 2 147 . 25 LEU HG H 0.53 0.04 1 148 . 25 LEU HD1 H 1.11 0.04 2 149 . 25 LEU HD2 H 0.31 0.04 2 150 . 25 LEU C C 178.75 0.50 1 151 . 25 LEU CA C 57.72 0.50 1 152 . 25 LEU CB C 40.71 0.50 1 153 . 25 LEU CG C 26.79 0.50 1 154 . 25 LEU CD1 C 24.20 0.50 1 155 . 25 LEU CD2 C 23.44 0.50 1 156 . 25 LEU N N 125.60 0.50 1 157 . 26 ILE H H 8.79 0.04 1 158 . 26 ILE HA H 3.46 0.04 1 159 . 26 ILE HB H 1.87 0.04 1 160 . 26 ILE HG12 H 1.61 0.04 2 161 . 26 ILE HG13 H 1.08 0.04 2 162 . 26 ILE HG2 H 0.87 0.04 1 163 . 26 ILE HD1 H 0.75 0.04 1 164 . 26 ILE C C 179.54 0.50 1 165 . 26 ILE CA C 65.45 0.50 1 166 . 26 ILE CB C 37.74 0.50 1 167 . 26 ILE CG1 C 30.96 0.50 1 168 . 26 ILE CG2 C 17.13 0.50 1 169 . 26 ILE CD1 C 13.21 0.50 1 170 . 26 ILE N N 120.90 0.50 1 171 . 27 GLU H H 7.78 0.04 1 172 . 27 GLU HA H 4.03 0.04 1 173 . 27 GLU HB2 H 2.10 0.04 2 174 . 27 GLU HB3 H 1.87 0.04 2 175 . 27 GLU HG2 H 2.41 0.04 2 176 . 27 GLU HG3 H 2.36 0.04 2 177 . 27 GLU C C 178.30 0.50 1 178 . 27 GLU CA C 58.87 0.50 1 179 . 27 GLU CB C 28.34 0.50 1 180 . 27 GLU CG C 35.02 0.50 1 181 . 27 GLU N N 119.70 0.50 1 182 . 28 ASN H H 7.99 0.04 1 183 . 28 ASN HA H 4.30 0.04 1 184 . 28 ASN HB2 H 2.97 0.04 2 185 . 28 ASN HB3 H 2.79 0.04 2 186 . 28 ASN C C 177.47 0.50 1 187 . 28 ASN CA C 58.00 0.50 1 188 . 28 ASN CB C 41.81 0.50 1 189 . 28 ASN N N 119.70 0.50 1 190 . 29 CYS H H 8.71 0.04 1 191 . 29 CYS HA H 4.31 0.04 1 192 . 29 CYS HB2 H 3.88 0.04 2 193 . 29 CYS HB3 H 3.56 0.04 2 194 . 29 CYS C C 176.93 0.50 1 195 . 29 CYS CA C 64.23 0.50 1 196 . 29 CYS CB C 25.71 0.50 1 197 . 29 CYS N N 117.43 0.50 1 198 . 30 LYS H H 8.01 0.04 1 199 . 30 LYS HA H 3.82 0.04 1 200 . 30 LYS HB2 H 1.90 0.04 1 201 . 30 LYS HB3 H 1.90 0.04 1 202 . 30 LYS HG2 H 1.52 0.04 2 203 . 30 LYS HG3 H 1.35 0.04 2 204 . 30 LYS HD2 H 1.65 0.04 1 205 . 30 LYS HD3 H 1.65 0.04 1 206 . 30 LYS HE2 H 2.90 0.04 1 207 . 30 LYS HE3 H 2.90 0.04 1 208 . 30 LYS C C 180.60 0.50 1 209 . 30 LYS CA C 59.70 0.50 1 210 . 30 LYS CB C 31.88 0.50 1 211 . 30 LYS CG C 25.42 0.50 1 212 . 30 LYS CD C 29.19 0.50 1 213 . 30 LYS CE C 42.00 0.50 1 214 . 30 LYS N N 120.60 0.50 1 215 . 31 LYS H H 8.01 0.04 1 216 . 31 LYS HA H 4.03 0.04 1 217 . 31 LYS HB2 H 1.91 0.04 1 218 . 31 LYS HB3 H 1.91 0.04 1 219 . 31 LYS HG2 H 1.45 0.04 2 220 . 31 LYS HG3 H 1.39 0.04 2 221 . 31 LYS HD2 H 1.62 0.04 1 222 . 31 LYS HD3 H 1.62 0.04 1 223 . 31 LYS HE2 H 2.94 0.04 1 224 . 31 LYS HE3 H 2.94 0.04 1 225 . 31 LYS C C 177.88 0.50 1 226 . 31 LYS CA C 58.45 0.50 1 227 . 31 LYS CB C 31.82 0.50 1 228 . 31 LYS CG C 25.33 0.50 1 229 . 31 LYS CD C 29.16 0.50 1 230 . 31 LYS CE C 42.09 0.50 1 231 . 31 LYS N N 121.20 0.50 1 232 . 32 ARG H H 7.28 0.04 1 233 . 32 ARG HA H 4.31 0.04 1 234 . 32 ARG HB2 H 1.91 0.04 2 235 . 32 ARG HB3 H 1.69 0.04 2 236 . 32 ARG HG2 H 1.63 0.04 9 237 . 32 ARG HG3 H 1.63 0.04 9 238 . 32 ARG HD2 H 3.19 0.04 1 239 . 32 ARG HD3 H 3.19 0.04 1 240 . 32 ARG C C 174.97 0.50 1 241 . 32 ARG CA C 55.59 0.50 1 242 . 32 ARG CB C 30.35 0.50 1 243 . 32 ARG CG C 28.45 0.50 1 244 . 32 ARG CD C 43.88 0.50 1 245 . 32 ARG N N 115.75 0.50 1 246 . 33 ASN H H 8.04 0.04 1 247 . 33 ASN HA H 4.35 0.04 1 248 . 33 ASN HB2 H 3.12 0.04 2 249 . 33 ASN HB3 H 2.80 0.04 2 250 . 33 ASN HD21 H 7.52 0.04 2 251 . 33 ASN HD22 H 6.82 0.04 2 252 . 33 ASN C C 173.85 0.50 1 253 . 33 ASN CA C 53.78 0.50 1 254 . 33 ASN CB C 36.76 0.50 1 255 . 33 ASN N N 115.60 0.50 1 256 . 33 ASN ND2 N 112.26 0.50 1 257 . 34 MET H H 8.04 0.04 1 258 . 34 MET HA H 4.82 0.04 1 259 . 34 MET HB2 H 1.70 0.04 1 260 . 34 MET HB3 H 1.70 0.04 1 261 . 34 MET HG2 H 2.47 0.04 1 262 . 34 MET HG3 H 2.47 0.04 1 263 . 34 MET HE H 2.12 0.04 1 264 . 34 MET CA C 52.31 0.50 1 265 . 34 MET CB C 33.32 0.50 1 266 . 34 MET CG C 32.55 0.50 1 267 . 34 MET CE C 17.05 0.50 1 268 . 34 MET N N 116.90 0.50 1 269 . 35 PRO HA H 4.09 0.04 1 270 . 35 PRO HB2 H 2.04 0.04 2 271 . 35 PRO HB3 H 2.00 0.04 2 272 . 35 PRO HG2 H 1.97 0.04 1 273 . 35 PRO HG3 H 1.97 0.04 1 274 . 35 PRO HD2 H 3.54 0.04 2 275 . 35 PRO HD3 H 3.43 0.04 2 276 . 35 PRO C C 176.37 0.50 1 277 . 35 PRO CA C 62.49 0.50 1 278 . 35 PRO CB C 31.88 0.50 1 279 . 35 PRO CG C 27.52 0.50 1 280 . 35 PRO CD C 50.22 0.50 1 281 . 36 LEU H H 8.60 0.04 1 282 . 36 LEU HA H 4.35 0.04 1 283 . 36 LEU HB2 H 1.44 0.04 1 284 . 36 LEU HB3 H 1.44 0.04 1 285 . 36 LEU HG H 1.42 0.04 1 286 . 36 LEU HD1 H 0.71 0.04 2 287 . 36 LEU HD2 H 0.86 0.04 2 288 . 36 LEU C C 176.38 0.50 1 289 . 36 LEU CA C 54.13 0.50 1 290 . 36 LEU CB C 41.35 0.50 1 291 . 36 LEU CG C 26.80 0.50 1 292 . 36 LEU CD1 C 25.49 0.50 1 293 . 36 LEU CD2 C 23.80 0.50 1 294 . 36 LEU N N 125.20 0.50 1 295 . 37 GLN H H 8.57 0.04 1 296 . 37 GLN HA H 4.25 0.04 1 297 . 37 GLN HB2 H 2.10 0.04 2 298 . 37 GLN HB3 H 1.93 0.04 2 299 . 37 GLN HG2 H 2.27 0.04 1 300 . 37 GLN HG3 H 2.27 0.04 1 301 . 37 GLN HE21 H 7.46 0.04 2 302 . 37 GLN HE22 H 6.85 0.04 2 303 . 37 GLN C C 175.52 0.50 1 304 . 37 GLN CA C 56.43 0.50 1 305 . 37 GLN CB C 29.42 0.50 1 306 . 37 GLN CG C 33.92 0.50 1 307 . 37 GLN N N 125.00 0.50 1 308 . 37 GLN NE2 N 111.30 0.50 1 309 . 38 SER H H 7.67 0.04 1 310 . 38 SER HA H 4.44 0.04 1 311 . 38 SER HB2 H 3.79 0.04 2 312 . 38 SER HB3 H 3.72 0.04 2 313 . 38 SER C C 173.10 0.50 1 314 . 38 SER CA C 57.05 0.50 1 315 . 38 SER CB C 63.93 0.50 1 316 . 38 SER N N 112.10 0.50 1 317 . 39 ILE H H 8.46 0.04 1 318 . 39 ILE HA H 4.34 0.04 1 319 . 39 ILE HB H 1.88 0.04 1 320 . 39 ILE HG12 H 1.57 0.04 2 321 . 39 ILE HG13 H 1.36 0.04 2 322 . 39 ILE HG2 H 1.14 0.04 1 323 . 39 ILE HD1 H 0.87 0.04 1 324 . 39 ILE CA C 57.46 0.50 1 325 . 39 ILE CB C 37.57 0.50 1 326 . 39 ILE CG1 C 27.29 0.50 1 327 . 39 ILE CG2 C 17.83 0.50 1 328 . 39 ILE CD1 C 11.36 0.50 1 329 . 39 ILE N N 124.00 0.50 1 330 . 40 PRO HA H 4.42 0.04 1 331 . 40 PRO HB2 H 2.35 0.04 2 332 . 40 PRO HB3 H 1.73 0.04 2 333 . 40 PRO HG2 H 2.12 0.04 2 334 . 40 PRO HG3 H 1.88 0.04 2 335 . 40 PRO HD2 H 3.97 0.04 2 336 . 40 PRO HD3 H 3.64 0.04 2 337 . 40 PRO C C 174.31 0.50 1 338 . 40 PRO CA C 62.86 0.50 1 339 . 40 PRO CB C 32.35 0.50 1 340 . 40 PRO CG C 27.55 0.50 1 341 . 40 PRO CD C 50.72 0.50 1 342 . 41 GLU H H 8.22 0.04 1 343 . 41 GLU HA H 5.05 0.04 1 344 . 41 GLU HB2 H 2.12 0.04 2 345 . 41 GLU HB3 H 1.76 0.04 2 346 . 41 GLU HG2 H 2.34 0.04 1 347 . 41 GLU HG3 H 2.34 0.04 1 348 . 41 GLU C C 175.92 0.50 1 349 . 41 GLU CA C 53.83 0.50 1 350 . 41 GLU CB C 32.01 0.50 1 351 . 41 GLU CG C 33.17 0.50 1 352 . 41 GLU N N 117.30 0.50 1 353 . 42 ILE H H 8.21 0.04 1 354 . 42 ILE HA H 4.19 0.04 1 355 . 42 ILE HB H 1.56 0.04 1 356 . 42 ILE HG12 H 1.40 0.04 2 357 . 42 ILE HG13 H 1.33 0.04 2 358 . 42 ILE HG2 H 0.93 0.04 1 359 . 42 ILE HD1 H 0.75 0.04 1 360 . 42 ILE C C 177.41 0.50 1 361 . 42 ILE CA C 60.87 0.50 1 362 . 42 ILE CB C 40.09 0.50 1 363 . 42 ILE CG1 C 29.00 0.50 1 364 . 42 ILE CG2 C 17.75 0.50 1 365 . 42 ILE CD1 C 12.90 0.50 1 366 . 42 ILE N N 120.43 0.50 1 367 . 43 GLY H H 9.37 0.04 1 368 . 43 GLY HA2 H 3.86 0.04 2 369 . 43 GLY HA3 H 3.79 0.04 2 370 . 43 GLY CA C 47.20 0.50 1 371 . 43 GLY N N 120.30 0.50 1 372 . 44 ASN H H 8.70 0.04 1 373 . 44 ASN HA H 4.51 0.04 1 374 . 44 ASN HB2 H 2.95 0.04 1 375 . 44 ASN HB3 H 2.95 0.04 1 376 . 44 ASN HD21 H 7.55 0.04 2 377 . 44 ASN HD22 H 6.89 0.04 2 378 . 44 ASN C C 174.18 0.50 1 379 . 44 ASN CA C 53.36 0.50 1 380 . 44 ASN CB C 37.74 0.50 1 381 . 44 ASN N N 116.57 0.50 1 382 . 44 ASN ND2 N 111.80 0.50 1 383 . 45 ARG H H 7.78 0.04 1 384 . 45 ARG HA H 4.60 0.04 1 385 . 45 ARG HB2 H 1.83 0.04 1 386 . 45 ARG HB3 H 1.83 0.04 1 387 . 45 ARG HG2 H 1.67 0.04 1 388 . 45 ARG HG3 H 1.67 0.04 1 389 . 45 ARG HD2 H 3.27 0.04 1 390 . 45 ARG HD3 H 3.27 0.04 1 391 . 45 ARG C C 175.29 0.50 1 392 . 45 ARG CA C 54.12 0.50 1 393 . 45 ARG CB C 31.34 0.50 1 394 . 45 ARG CG C 26.73 0.50 1 395 . 45 ARG CD C 43.36 0.50 1 396 . 45 ARG N N 119.60 0.50 1 397 . 46 LYS H H 8.60 0.04 1 398 . 46 LYS HA H 4.34 0.04 1 399 . 46 LYS HB2 H 1.68 0.04 2 400 . 46 LYS HB3 H 1.65 0.04 2 401 . 46 LYS HG2 H 1.50 0.04 2 402 . 46 LYS HG3 H 1.36 0.04 2 403 . 46 LYS HD2 H 1.63 0.04 1 404 . 46 LYS HD3 H 1.63 0.04 1 405 . 46 LYS HE2 H 2.96 0.04 1 406 . 46 LYS HE3 H 2.96 0.04 1 407 . 46 LYS C C 176.90 0.50 1 408 . 46 LYS CA C 56.51 0.50 1 409 . 46 LYS CB C 32.58 0.50 1 410 . 46 LYS CG C 25.82 0.50 1 411 . 46 LYS CD C 29.80 0.50 1 412 . 46 LYS CE C 42.20 0.50 1 413 . 46 LYS N N 124.80 0.50 1 414 . 47 ILE H H 8.34 0.04 1 415 . 47 ILE HA H 4.05 0.04 1 416 . 47 ILE HB H 1.74 0.04 1 417 . 47 ILE HG12 H 1.30 0.04 2 418 . 47 ILE HG13 H 1.15 0.04 2 419 . 47 ILE HG2 H 0.74 0.04 1 420 . 47 ILE HD1 H 0.72 0.04 1 421 . 47 ILE C C 174.19 0.50 1 422 . 47 ILE CA C 59.04 0.50 1 423 . 47 ILE CB C 38.24 0.50 1 424 . 47 ILE CG1 C 26.97 0.50 1 425 . 47 ILE CG2 C 17.80 0.50 1 426 . 47 ILE CD1 C 12.32 0.50 1 427 . 47 ILE N N 123.80 0.50 1 428 . 48 ASN H H 8.57 0.04 1 429 . 48 ASN HA H 4.88 0.04 1 430 . 48 ASN HB2 H 3.10 0.04 2 431 . 48 ASN HB3 H 2.72 0.04 2 432 . 48 ASN C C 175.53 0.50 1 433 . 48 ASN CA C 51.99 0.50 1 434 . 48 ASN CB C 37.81 0.50 1 435 . 48 ASN N N 124.60 0.50 1 436 . 49 LEU H H 9.26 0.04 1 437 . 49 LEU HA H 3.99 0.04 1 438 . 49 LEU HB2 H 1.97 0.04 2 439 . 49 LEU HB3 H 1.53 0.04 2 440 . 49 LEU HG H 0.94 0.04 1 441 . 49 LEU HD1 H 0.77 0.04 1 442 . 49 LEU HD2 H 0.77 0.04 1 443 . 49 LEU C C 177.44 0.50 1 444 . 49 LEU CA C 57.72 0.50 1 445 . 49 LEU CB C 42.37 0.50 1 446 . 49 LEU CG C 26.82 0.50 1 447 . 49 LEU CD1 C 24.60 0.50 1 448 . 49 LEU CD2 C 22.55 0.50 1 449 . 49 LEU N N 126.60 0.50 1 450 . 50 PHE H H 7.75 0.04 1 451 . 50 PHE HA H 3.42 0.04 1 452 . 50 PHE HB2 H 2.85 0.04 1 453 . 50 PHE HB3 H 2.85 0.04 1 454 . 50 PHE C C 176.18 0.50 1 455 . 50 PHE CA C 58.00 0.50 1 456 . 50 PHE CB C 39.05 0.50 1 457 . 50 PHE N N 118.55 0.50 1 458 . 51 TYR H H 7.81 0.04 1 459 . 51 TYR HA H 4.00 0.04 1 460 . 51 TYR HB2 H 2.98 0.04 2 461 . 51 TYR HB3 H 2.93 0.04 2 462 . 51 TYR C C 178.50 0.50 1 463 . 51 TYR CA C 58.52 0.50 1 464 . 51 TYR CB C 37.04 0.50 1 465 . 51 TYR N N 119.50 0.50 1 466 . 52 LEU H H 8.24 0.04 1 467 . 52 LEU HA H 3.92 0.04 1 468 . 52 LEU HB2 H 1.49 0.04 1 469 . 52 LEU HB3 H 1.49 0.04 1 470 . 52 LEU HG H 1.09 0.04 1 471 . 52 LEU HD1 H 0.88 0.04 2 472 . 52 LEU HD2 H 0.75 0.04 2 473 . 52 LEU C C 176.40 0.50 1 474 . 52 LEU CA C 58.34 0.50 1 475 . 52 LEU CB C 41.34 0.50 1 476 . 52 LEU N N 118.08 0.50 1 477 . 53 TYR H H 8.31 0.04 1 478 . 53 TYR HA H 4.30 0.04 1 479 . 53 TYR HB2 H 3.38 0.04 2 480 . 53 TYR HB3 H 2.91 0.04 2 481 . 53 TYR C C 177.85 0.50 1 482 . 53 TYR CA C 62.63 0.50 1 483 . 53 TYR CB C 39.18 0.50 1 484 . 53 TYR N N 118.30 0.50 1 485 . 54 MET H H 8.31 0.04 1 486 . 54 MET HA H 3.96 0.04 1 487 . 54 MET HB2 H 1.72 0.04 2 488 . 54 MET HB3 H 1.67 0.04 2 489 . 54 MET HG2 H 2.06 0.04 2 490 . 54 MET HG3 H 1.94 0.04 2 491 . 54 MET HE H 1.89 0.04 1 492 . 54 MET C C 179.49 0.50 1 493 . 54 MET CA C 57.19 0.50 1 494 . 54 MET CB C 31.12 0.50 1 495 . 54 MET CG C 32.41 0.50 1 496 . 54 MET CE C 16.65 0.50 1 497 . 54 MET N N 116.00 0.50 1 498 . 55 LEU H H 8.37 0.04 1 499 . 55 LEU HA H 3.90 0.04 1 500 . 55 LEU HB2 H 1.59 0.04 2 501 . 55 LEU HB3 H 1.45 0.04 2 502 . 55 LEU HG H 1.40 0.04 1 503 . 55 LEU HD1 H 0.86 0.04 2 504 . 55 LEU HD2 H 0.82 0.04 2 505 . 55 LEU C C 178.75 0.50 1 506 . 55 LEU CA C 57.41 0.50 1 507 . 55 LEU CB C 42.31 0.50 1 508 . 55 LEU CG C 26.31 0.50 1 509 . 55 LEU CD1 C 24.60 0.50 1 510 . 55 LEU CD2 C 23.40 0.50 1 511 . 55 LEU N N 122.41 0.50 1 512 . 56 VAL H H 7.90 0.04 1 513 . 56 VAL HA H 3.09 0.04 1 514 . 56 VAL HB H 2.05 0.04 1 515 . 56 VAL HG1 H 0.70 0.04 2 516 . 56 VAL HG2 H 0.29 0.04 2 517 . 56 VAL C C 179.12 0.50 1 518 . 56 VAL CA C 67.10 0.50 1 519 . 56 VAL CB C 30.29 0.50 1 520 . 56 VAL CG1 C 21.40 0.50 1 521 . 56 VAL CG2 C 20.33 0.50 1 522 . 56 VAL N N 118.10 0.50 1 523 . 57 GLN H H 8.04 0.04 1 524 . 57 GLN HA H 3.67 0.04 1 525 . 57 GLN HB2 H 1.96 0.04 2 526 . 57 GLN HB3 H 1.92 0.04 2 527 . 57 GLN HG2 H 2.27 0.04 1 528 . 57 GLN HG3 H 2.27 0.04 1 529 . 57 GLN C C 180.10 0.50 1 530 . 57 GLN CA C 58.11 0.50 1 531 . 57 GLN CB C 27.24 0.50 1 532 . 57 GLN CG C 33.15 0.50 1 533 . 57 GLN N N 118.50 0.50 1 534 . 58 LYS H H 7.92 0.04 1 535 . 58 LYS HA H 3.90 0.04 1 536 . 58 LYS HB2 H 1.88 0.04 2 537 . 58 LYS HB3 H 1.82 0.04 2 538 . 58 LYS HG2 H 1.32 0.04 2 539 . 58 LYS HG3 H 1.12 0.04 2 540 . 58 LYS HD2 H 1.45 0.04 1 541 . 58 LYS HD3 H 1.45 0.04 1 542 . 58 LYS HE2 H 2.79 0.04 1 543 . 58 LYS HE3 H 2.79 0.04 1 544 . 58 LYS C C 178.05 0.50 1 545 . 58 LYS CA C 58.69 0.50 1 546 . 58 LYS CB C 31.31 0.50 1 547 . 58 LYS CG C 24.66 0.50 1 548 . 58 LYS CD C 29.00 0.50 1 549 . 58 LYS CE C 41.98 0.50 1 550 . 58 LYS N N 123.20 0.50 1 551 . 59 PHE H H 7.34 0.04 1 552 . 59 PHE HA H 4.35 0.04 1 553 . 59 PHE HB2 H 3.12 0.04 2 554 . 59 PHE HB3 H 2.45 0.04 2 555 . 59 PHE C C 174.65 0.50 1 556 . 59 PHE CA C 57.40 0.50 1 557 . 59 PHE CB C 39.15 0.50 1 558 . 59 PHE N N 116.72 0.50 1 559 . 60 GLY H H 7.50 0.04 1 560 . 60 GLY HA2 H 4.34 0.04 2 561 . 60 GLY HA3 H 3.63 0.04 2 562 . 60 GLY C C 175.23 0.50 1 563 . 60 GLY CA C 44.86 0.50 1 564 . 60 GLY N N 104.50 0.50 1 565 . 61 GLY H H 8.31 0.04 1 566 . 61 GLY HA2 H 4.58 0.04 2 567 . 61 GLY HA3 H 3.29 0.04 2 568 . 61 GLY C C 172.84 0.50 1 569 . 61 GLY CA C 43.35 0.50 1 570 . 61 GLY N N 110.34 0.50 1 571 . 62 ALA H H 9.40 0.04 1 572 . 62 ALA HA H 3.50 0.04 1 573 . 62 ALA HB H 1.62 0.04 1 574 . 62 ALA C C 180.28 0.50 1 575 . 62 ALA CA C 55.99 0.50 1 576 . 62 ALA CB C 19.97 0.50 1 577 . 62 ALA N N 122.71 0.50 1 578 . 63 ASP H H 9.31 0.04 1 579 . 63 ASP HA H 4.51 0.04 1 580 . 63 ASP HB2 H 2.68 0.04 1 581 . 63 ASP HB3 H 2.68 0.04 1 582 . 63 ASP C C 178.54 0.50 1 583 . 63 ASP CA C 57.54 0.50 1 584 . 63 ASP CB C 39.22 0.50 1 585 . 63 ASP N N 119.35 0.50 1 586 . 64 GLN H H 7.97 0.04 1 587 . 64 GLN HA H 4.09 0.04 1 588 . 64 GLN HB2 H 1.97 0.04 2 589 . 64 GLN HB3 H 1.83 0.04 2 590 . 64 GLN HG2 H 2.27 0.04 1 591 . 64 GLN HG3 H 2.27 0.04 1 592 . 64 GLN C C 179.15 0.50 1 593 . 64 GLN CA C 58.45 0.50 1 594 . 64 GLN CB C 27.54 0.50 1 595 . 64 GLN CG C 32.86 0.50 1 596 . 64 GLN N N 121.80 0.50 1 597 . 65 VAL H H 8.07 0.04 1 598 . 65 VAL HA H 3.04 0.04 1 599 . 65 VAL HB H 1.14 0.04 1 600 . 65 VAL HG1 H 0.38 0.04 2 601 . 65 VAL HG2 H -1.24 0.04 2 602 . 65 VAL C C 177.11 0.50 1 603 . 65 VAL CA C 66.30 0.50 1 604 . 65 VAL CB C 31.35 0.50 1 605 . 65 VAL CG1 C 24.71 0.50 1 606 . 65 VAL CG2 C 19.14 0.50 1 607 . 65 VAL N N 122.20 0.50 1 608 . 66 THR H H 8.44 0.04 1 609 . 66 THR HA H 4.21 0.04 1 610 . 66 THR HB H 4.59 0.04 1 611 . 66 THR HG2 H 1.48 0.04 1 612 . 66 THR C C 178.18 0.50 1 613 . 66 THR CA C 67.02 0.50 1 614 . 66 THR CB C 68.79 0.50 1 615 . 66 THR CG2 C 21.84 0.50 1 616 . 66 THR N N 116.00 0.50 1 617 . 67 ARG H H 8.68 0.04 1 618 . 67 ARG HA H 4.19 0.04 1 619 . 67 ARG HB2 H 2.00 0.04 2 620 . 67 ARG HB3 H 1.92 0.04 2 621 . 67 ARG HG2 H 1.74 0.04 1 622 . 67 ARG HG3 H 1.74 0.04 1 623 . 67 ARG HD2 H 3.21 0.04 1 624 . 67 ARG HD3 H 3.21 0.04 1 625 . 67 ARG C C 177.97 0.50 1 626 . 67 ARG CA C 59.37 0.50 1 627 . 67 ARG CB C 30.31 0.50 1 628 . 67 ARG CG C 27.50 0.50 1 629 . 67 ARG CD C 43.48 0.50 1 630 . 67 ARG N N 123.20 0.50 1 631 . 68 THR H H 7.69 0.04 1 632 . 68 THR HA H 4.34 0.04 1 633 . 68 THR HB H 4.40 0.04 1 634 . 68 THR HG2 H 1.23 0.04 1 635 . 68 THR C C 173.61 0.50 1 636 . 68 THR CA C 61.33 0.50 1 637 . 68 THR CB C 69.18 0.50 1 638 . 68 THR CG2 C 21.86 0.50 1 639 . 68 THR N N 106.45 0.50 1 640 . 69 GLN H H 7.76 0.04 1 641 . 69 GLN HA H 4.23 0.04 1 642 . 69 GLN HB2 H 2.31 0.04 2 643 . 69 GLN HB3 H 2.24 0.04 2 644 . 69 GLN HG2 H 2.39 0.04 1 645 . 69 GLN HG3 H 2.39 0.04 1 646 . 69 GLN C C 177.31 0.50 1 647 . 69 GLN CA C 56.48 0.50 1 648 . 69 GLN CB C 25.57 0.50 1 649 . 69 GLN CG C 34.32 0.50 1 650 . 69 GLN N N 117.70 0.50 1 651 . 70 GLN H H 8.47 0.04 1 652 . 70 GLN HA H 4.60 0.04 1 653 . 70 GLN HB2 H 2.20 0.04 1 654 . 70 GLN HB3 H 2.20 0.04 1 655 . 70 GLN HG2 H 2.31 0.04 2 656 . 70 GLN HG3 H 2.01 0.04 2 657 . 70 GLN HE21 H 7.69 0.04 2 658 . 70 GLN HE22 H 7.02 0.04 2 659 . 70 GLN C C 176.90 0.50 1 660 . 70 GLN CA C 55.36 0.50 1 661 . 70 GLN CB C 29.87 0.50 1 662 . 70 GLN CG C 34.98 0.50 1 663 . 70 GLN N N 114.90 0.50 1 664 . 70 GLN NE2 N 111.80 0.50 1 665 . 71 TRP H H 7.92 0.04 1 666 . 71 TRP HA H 3.82 0.04 1 667 . 71 TRP HB2 H 3.27 0.04 2 668 . 71 TRP HB3 H 3.12 0.04 2 669 . 71 TRP HE1 H 10.51 0.04 1 670 . 71 TRP C C 178.44 0.50 1 671 . 71 TRP CA C 61.37 0.50 1 672 . 71 TRP CB C 28.14 0.50 1 673 . 71 TRP N N 121.80 0.50 1 674 . 71 TRP NE1 N 130.08 0.50 1 675 . 72 SER H H 8.19 0.04 1 676 . 72 SER HA H 3.71 0.04 1 677 . 72 SER HB2 H 3.29 0.04 2 678 . 72 SER HB3 H 2.94 0.04 2 679 . 72 SER C C 176.31 0.50 1 680 . 72 SER CA C 60.92 0.50 1 681 . 72 SER CB C 61.00 0.50 1 682 . 72 SER N N 112.95 0.50 1 683 . 73 MET H H 6.96 0.04 1 684 . 73 MET HA H 4.19 0.04 1 685 . 73 MET HB2 H 2.02 0.04 1 686 . 73 MET HB3 H 2.02 0.04 1 687 . 73 MET HG2 H 2.52 0.04 2 688 . 73 MET HG3 H 2.46 0.04 2 689 . 73 MET HE H 1.69 0.04 1 690 . 73 MET C C 178.20 0.50 1 691 . 73 MET CA C 57.91 0.50 1 692 . 73 MET CB C 31.58 0.50 1 693 . 73 MET CG C 31.50 0.50 1 694 . 73 MET CE C 16.60 0.50 1 695 . 73 MET N N 123.53 0.50 1 696 . 74 VAL H H 7.45 0.04 1 697 . 74 VAL HA H 3.11 0.04 1 698 . 74 VAL HB H 1.98 0.04 1 699 . 74 VAL HG1 H 0.70 0.04 2 700 . 74 VAL HG2 H 0.17 0.04 2 701 . 74 VAL C C 176.35 0.50 1 702 . 74 VAL CA C 66.34 0.50 1 703 . 74 VAL CB C 31.61 0.50 1 704 . 74 VAL CG1 C 21.50 0.50 1 705 . 74 VAL CG2 C 21.88 0.50 1 706 . 74 VAL N N 120.50 0.50 1 707 . 75 ALA H H 8.12 0.04 1 708 . 75 ALA HA H 3.77 0.04 1 709 . 75 ALA HB H 1.59 0.04 1 710 . 75 ALA C C 179.82 0.50 1 711 . 75 ALA CA C 55.38 0.50 1 712 . 75 ALA CB C 17.95 0.50 1 713 . 75 ALA N N 118.50 0.50 1 714 . 76 GLN H H 8.16 0.04 1 715 . 76 GLN HA H 4.06 0.04 1 716 . 76 GLN HB2 H 2.39 0.04 1 717 . 76 GLN HB3 H 2.39 0.04 1 718 . 76 GLN HG2 H 2.56 0.04 2 719 . 76 GLN HG3 H 2.22 0.04 2 720 . 76 GLN HE21 H 7.52 0.04 2 721 . 76 GLN HE22 H 6.89 0.04 2 722 . 76 GLN C C 180.62 0.50 1 723 . 76 GLN CA C 58.85 0.50 1 724 . 76 GLN CB C 28.20 0.50 1 725 . 76 GLN CG C 34.08 0.50 1 726 . 76 GLN N N 118.50 0.50 1 727 . 76 GLN NE2 N 110.86 0.50 1 728 . 77 ARG H H 7.81 0.04 1 729 . 77 ARG HA H 4.12 0.04 1 730 . 77 ARG HB2 H 2.13 0.04 2 731 . 77 ARG HB3 H 1.96 0.04 2 732 . 77 ARG HG2 H 1.90 0.04 2 733 . 77 ARG HG3 H 1.79 0.04 2 734 . 77 ARG HD2 H 3.26 0.04 2 735 . 77 ARG HD3 H 3.22 0.04 2 736 . 77 ARG C C 177.57 0.50 1 737 . 77 ARG CA C 57.60 0.50 1 738 . 77 ARG CB C 29.29 0.50 1 739 . 77 ARG CG C 27.07 0.50 1 740 . 77 ARG CD C 42.47 0.50 1 741 . 77 ARG N N 119.19 0.50 1 742 . 78 LEU H H 7.41 0.04 1 743 . 78 LEU HA H 4.43 0.04 1 744 . 78 LEU HB2 H 1.85 0.04 2 745 . 78 LEU HB3 H 1.62 0.04 2 746 . 78 LEU HG H 1.62 0.04 1 747 . 78 LEU HD1 H 0.89 0.04 2 748 . 78 LEU HD2 H 0.84 0.04 2 749 . 78 LEU C C 175.27 0.50 1 750 . 78 LEU CA C 54.28 0.50 1 751 . 78 LEU CB C 42.45 0.50 1 752 . 78 LEU CG C 27.10 0.50 1 753 . 78 LEU CD1 C 24.95 0.50 1 754 . 78 LEU CD2 C 23.87 0.50 1 755 . 78 LEU N N 118.60 0.50 1 756 . 79 GLN H H 7.91 0.04 1 757 . 79 GLN HA H 3.88 0.04 1 758 . 79 GLN HB2 H 2.34 0.04 2 759 . 79 GLN HB3 H 2.22 0.04 2 760 . 79 GLN HG2 H 2.29 0.04 1 761 . 79 GLN HG3 H 2.26 0.04 1 762 . 79 GLN C C 174.56 0.50 1 763 . 79 GLN CA C 56.67 0.50 1 764 . 79 GLN CB C 25.67 0.50 1 765 . 79 GLN CG C 33.88 0.50 1 766 . 79 GLN N N 114.60 0.50 1 767 . 80 ILE H H 8.05 0.04 1 768 . 80 ILE HA H 4.30 0.04 1 769 . 80 ILE HB H 1.65 0.04 1 770 . 80 ILE HG12 H 1.41 0.04 2 771 . 80 ILE HG13 H 1.20 0.04 2 772 . 80 ILE HG2 H 0.81 0.04 1 773 . 80 ILE HD1 H 0.81 0.04 1 774 . 80 ILE C C 175.83 0.50 1 775 . 80 ILE CA C 58.71 0.50 1 776 . 80 ILE CB C 40.00 0.50 1 777 . 80 ILE CG1 C 27.08 0.50 1 778 . 80 ILE CG2 C 18.50 0.50 1 779 . 80 ILE CD1 C 13.65 0.50 1 780 . 80 ILE N N 119.30 0.50 1 781 . 81 SER H H 8.53 0.04 1 782 . 81 SER HA H 4.45 0.04 1 783 . 81 SER HB2 H 3.90 0.04 2 784 . 81 SER HB3 H 3.86 0.04 2 785 . 81 SER C C 175.07 0.50 1 786 . 81 SER CA C 59.66 0.50 1 787 . 81 SER CB C 63.33 0.50 1 788 . 81 SER N N 120.74 0.50 1 789 . 82 ASP H H 7.46 0.04 1 790 . 82 ASP HA H 4.82 0.04 1 791 . 82 ASP HB2 H 2.91 0.04 2 792 . 82 ASP HB3 H 2.46 0.04 2 793 . 82 ASP C C 175.53 0.50 1 794 . 82 ASP CA C 51.81 0.50 1 795 . 82 ASP CB C 38.62 0.50 1 796 . 82 ASP N N 121.70 0.50 1 797 . 83 TYR H H 7.87 0.04 1 798 . 83 TYR HA H 4.12 0.04 1 799 . 83 TYR HB2 H 3.03 0.04 2 800 . 83 TYR HB3 H 2.82 0.04 2 801 . 83 TYR C C 176.84 0.50 1 802 . 83 TYR CA C 58.80 0.50 1 803 . 83 TYR CB C 38.28 0.50 1 804 . 83 TYR N N 122.40 0.50 1 805 . 84 GLN H H 8.24 0.04 1 806 . 84 GLN HA H 3.78 0.04 1 807 . 84 GLN HB2 H 1.80 0.04 1 808 . 84 GLN HB3 H 1.80 0.04 1 809 . 84 GLN HG2 H 2.02 0.04 2 810 . 84 GLN HG3 H 1.80 0.04 2 811 . 84 GLN HE21 H 7.23 0.04 2 812 . 84 GLN HE22 H 6.65 0.04 2 813 . 84 GLN C C 176.17 0.50 1 814 . 84 GLN CA C 58.90 0.50 1 815 . 84 GLN CB C 27.33 0.50 1 816 . 84 GLN CG C 34.16 0.50 1 817 . 84 GLN N N 124.22 0.50 1 818 . 84 GLN NE2 N 110.62 0.50 1 819 . 85 GLN H H 7.55 0.04 1 820 . 85 GLN HA H 4.03 0.04 1 821 . 85 GLN HB2 H 1.90 0.04 2 822 . 85 GLN HB3 H 1.80 0.04 2 823 . 85 GLN HG2 H 2.40 0.04 2 824 . 85 GLN HG3 H 2.25 0.04 2 825 . 85 GLN HE21 H 7.35 0.04 2 826 . 85 GLN HE22 H 6.78 0.04 2 827 . 85 GLN C C 178.17 0.50 1 828 . 85 GLN CA C 57.92 0.50 1 829 . 85 GLN CB C 28.23 0.50 1 830 . 85 GLN CG C 34.36 0.50 1 831 . 85 GLN N N 120.10 0.50 1 832 . 85 GLN NE2 N 110.86 0.50 1 833 . 86 LEU H H 7.35 0.04 1 834 . 86 LEU HA H 3.88 0.04 1 835 . 86 LEU HB2 H 1.63 0.04 1 836 . 86 LEU HB3 H 1.63 0.04 1 837 . 86 LEU HG H 1.34 0.04 1 838 . 86 LEU HD1 H 0.99 0.04 2 839 . 86 LEU HD2 H 0.77 0.04 2 840 . 86 LEU C C 177.06 0.50 1 841 . 86 LEU CA C 57.67 0.50 1 842 . 86 LEU CB C 42.02 0.50 1 843 . 86 LEU N N 120.50 0.50 1 844 . 87 GLU H H 8.02 0.04 1 845 . 87 GLU HA H 2.27 0.04 1 846 . 87 GLU HB2 H 1.56 0.04 2 847 . 87 GLU HB3 H 0.96 0.04 2 848 . 87 GLU HG2 H 1.09 0.04 2 849 . 87 GLU HG3 H 0.70 0.04 2 850 . 87 GLU C C 176.67 0.50 1 851 . 87 GLU CA C 58.36 0.50 1 852 . 87 GLU CB C 27.48 0.50 1 853 . 87 GLU CG C 31.30 0.50 1 854 . 87 GLU N N 119.48 0.50 1 855 . 88 SER H H 7.40 0.04 1 856 . 88 SER HA H 4.00 0.04 1 857 . 88 SER HB2 H 4.09 0.04 2 858 . 88 SER HB3 H 3.90 0.04 2 859 . 88 SER C C 177.59 0.50 1 860 . 88 SER CA C 61.32 0.50 1 861 . 88 SER CB C 62.52 0.50 1 862 . 88 SER N N 112.76 0.50 1 863 . 89 ILE H H 8.05 0.04 1 864 . 89 ILE HA H 3.68 0.04 1 865 . 89 ILE HB H 1.93 0.04 1 866 . 89 ILE HG12 H 1.82 0.04 2 867 . 89 ILE HG13 H 1.04 0.04 2 868 . 89 ILE HG2 H 0.77 0.04 1 869 . 89 ILE HD1 H 0.77 0.04 1 870 . 89 ILE C C 177.61 0.50 1 871 . 89 ILE CA C 64.86 0.50 1 872 . 89 ILE CB C 37.82 0.50 1 873 . 89 ILE CG2 C 16.85 0.50 1 874 . 89 ILE CD1 C 13.93 0.50 1 875 . 89 ILE N N 122.20 0.50 1 876 . 90 TYR H H 8.59 0.04 1 877 . 90 TYR HA H 3.62 0.04 1 878 . 90 TYR HB2 H 3.17 0.04 2 879 . 90 TYR HB3 H 2.78 0.04 2 880 . 90 TYR C C 179.21 0.50 1 881 . 90 TYR CA C 63.13 0.50 1 882 . 90 TYR CB C 39.05 0.50 1 883 . 90 TYR N N 121.40 0.50 1 884 . 91 PHE H H 9.02 0.04 1 885 . 91 PHE HA H 4.45 0.04 1 886 . 91 PHE HB2 H 3.25 0.04 2 887 . 91 PHE HB3 H 3.20 0.04 2 888 . 91 PHE C C 176.83 0.50 1 889 . 91 PHE CA C 60.04 0.50 1 890 . 91 PHE CB C 37.83 0.50 1 891 . 91 PHE N N 118.80 0.50 1 892 . 92 ARG H H 8.04 0.04 1 893 . 92 ARG HA H 4.20 0.04 1 894 . 92 ARG HB2 H 1.96 0.04 2 895 . 92 ARG HB3 H 1.85 0.04 2 896 . 92 ARG HG2 H 1.62 0.04 1 897 . 92 ARG HG3 H 1.62 0.04 1 898 . 92 ARG HD2 H 3.22 0.04 1 899 . 92 ARG HD3 H 3.22 0.04 1 900 . 92 ARG C C 177.44 0.50 1 901 . 92 ARG CA C 58.62 0.50 1 902 . 92 ARG CB C 31.31 0.50 1 903 . 92 ARG CG C 28.10 0.50 1 904 . 92 ARG CD C 43.75 0.50 1 905 . 92 ARG N N 116.30 0.50 1 906 . 93 ILE H H 8.16 0.04 1 907 . 93 ILE HA H 4.02 0.04 1 908 . 93 ILE HB H 1.87 0.04 1 909 . 93 ILE HG12 H 1.67 0.04 2 910 . 93 ILE HG13 H 1.14 0.04 2 911 . 93 ILE HG2 H 0.81 0.04 1 912 . 93 ILE HD1 H 0.81 0.04 1 913 . 93 ILE C C 175.73 0.50 1 914 . 93 ILE CA C 63.10 0.50 1 915 . 93 ILE CB C 39.97 0.50 1 916 . 93 ILE CG1 C 28.01 0.50 1 917 . 93 ILE CG2 C 18.12 0.50 1 918 . 93 ILE CD1 C 13.48 0.50 1 919 . 93 ILE N N 113.90 0.50 1 920 . 94 LEU H H 7.66 0.04 1 921 . 94 LEU HA H 4.46 0.04 1 922 . 94 LEU HB2 H 1.63 0.04 1 923 . 94 LEU HB3 H 1.63 0.04 1 924 . 94 LEU HG H 1.52 0.04 1 925 . 94 LEU HD1 H 1.08 0.04 2 926 . 94 LEU HD2 H 0.74 0.04 2 927 . 94 LEU C C 178.17 0.50 1 928 . 94 LEU CA C 55.29 0.50 1 929 . 94 LEU CB C 42.69 0.50 1 930 . 94 LEU CG C 27.99 0.50 1 931 . 94 LEU CD1 C 24.90 0.50 1 932 . 94 LEU N N 116.60 0.50 1 933 . 95 LEU H H 8.39 0.04 1 934 . 95 LEU HA H 4.56 0.04 1 935 . 95 LEU HB2 H 1.65 0.04 1 936 . 95 LEU HB3 H 1.65 0.04 1 937 . 95 LEU HG H 1.50 0.04 4 938 . 95 LEU HD1 H 1.08 0.04 4 939 . 95 LEU HD2 H 0.86 0.04 4 940 . 95 LEU CA C 59.65 0.50 1 941 . 95 LEU CB C 40.60 0.50 1 942 . 95 LEU N N 123.10 0.50 1 943 . 96 PRO HA H 4.33 0.04 1 944 . 96 PRO HB2 H 2.36 0.04 1 945 . 96 PRO HB3 H 2.36 0.04 1 946 . 96 PRO HG2 H 1.96 0.04 1 947 . 96 PRO HG3 H 1.96 0.04 1 948 . 96 PRO HD2 H 3.89 0.04 2 949 . 96 PRO HD3 H 3.19 0.04 2 950 . 96 PRO C C 178.50 0.50 1 951 . 96 PRO CA C 65.45 0.50 1 952 . 96 PRO CB C 30.69 0.50 1 953 . 96 PRO CG C 29.35 0.50 1 954 . 96 PRO CD C 50.26 0.50 1 955 . 97 TYR H H 6.84 0.04 1 956 . 97 TYR HA H 4.06 0.04 1 957 . 97 TYR HB2 H 3.22 0.04 2 958 . 97 TYR HB3 H 2.79 0.04 2 959 . 97 TYR C C 176.54 0.50 1 960 . 97 TYR CA C 61.17 0.50 1 961 . 97 TYR CB C 38.46 0.50 1 962 . 97 TYR N N 118.10 0.50 1 963 . 98 GLU H H 9.00 0.04 1 964 . 98 GLU HA H 4.29 0.04 1 965 . 98 GLU HB2 H 1.90 0.04 1 966 . 98 GLU HB3 H 1.90 0.04 1 967 . 98 GLU HG2 H 2.64 0.04 2 968 . 98 GLU HG3 H 2.35 0.04 2 969 . 98 GLU C C 178.96 0.50 1 970 . 98 GLU CA C 59.30 0.50 1 971 . 98 GLU CB C 29.94 0.50 1 972 . 98 GLU CG C 36.18 0.50 1 973 . 98 GLU N N 122.20 0.50 1 974 . 99 ARG H H 8.53 0.04 1 975 . 99 ARG HA H 4.07 0.04 1 976 . 99 ARG HB2 H 1.89 0.04 2 977 . 99 ARG HB3 H 1.83 0.04 2 978 . 99 ARG HG2 H 1.65 0.04 1 979 . 99 ARG HG3 H 1.65 0.04 1 980 . 99 ARG HD2 H 3.18 0.04 1 981 . 99 ARG HD3 H 3.18 0.04 1 982 . 99 ARG C C 178.56 0.50 1 983 . 99 ARG CA C 58.26 0.50 1 984 . 99 ARG CB C 29.62 0.50 1 985 . 99 ARG CG C 26.42 0.50 1 986 . 99 ARG CD C 43.29 0.50 1 987 . 99 ARG N N 115.70 0.50 1 988 . 100 HIS H H 7.75 0.04 1 989 . 100 HIS HA H 4.47 0.04 1 990 . 100 HIS HB2 H 3.33 0.04 2 991 . 100 HIS HB3 H 3.28 0.04 2 992 . 100 HIS C C 176.08 0.50 1 993 . 100 HIS CA C 57.56 0.50 1 994 . 100 HIS CB C 27.59 0.50 1 995 . 100 HIS N N 118.15 0.50 1 996 . 101 MET H H 8.21 0.04 1 997 . 101 MET HA H 4.17 0.04 1 998 . 101 MET HB2 H 2.13 0.04 2 999 . 101 MET HB3 H 2.02 0.04 2 1000 . 101 MET HG2 H 2.25 0.04 1 1001 . 101 MET HG3 H 2.25 0.04 1 1002 . 101 MET HE H 1.93 0.04 1 1003 . 101 MET C C 179.75 0.50 1 1004 . 101 MET CA C 56.04 0.50 1 1005 . 101 MET CB C 30.65 0.50 1 1006 . 101 MET CG C 31.43 0.50 1 1007 . 101 MET CE C 16.72 0.50 1 1008 . 101 MET N N 119.00 0.50 1 1009 . 102 ILE H H 8.18 0.04 1 1010 . 102 ILE HA H 3.98 0.04 1 1011 . 102 ILE HB H 1.92 0.04 1 1012 . 102 ILE HG12 H 1.61 0.04 2 1013 . 102 ILE HG13 H 1.29 0.04 2 1014 . 102 ILE HG2 H 0.91 0.04 1 1015 . 102 ILE HD1 H 0.88 0.04 1 1016 . 102 ILE C C 177.48 0.50 1 1017 . 102 ILE CA C 62.71 0.50 1 1018 . 102 ILE CB C 37.93 0.50 1 1019 . 102 ILE CG1 C 27.95 0.50 1 1020 . 102 ILE CG2 C 17.49 0.50 1 1021 . 102 ILE CD1 C 13.10 0.50 1 1022 . 102 ILE N N 120.25 0.50 1 1023 . 103 SER H H 7.88 0.04 1 1024 . 103 SER HA H 4.35 0.04 1 1025 . 103 SER HB2 H 3.98 0.04 1 1026 . 103 SER HB3 H 3.98 0.04 1 1027 . 103 SER C C 170.34 0.50 1 1028 . 103 SER CA C 59.61 0.50 1 1029 . 103 SER CB C 63.17 0.50 1 1030 . 103 SER N N 116.80 0.50 1 1031 . 104 GLN H H 8.06 0.04 1 1032 . 104 GLN HA H 4.21 0.04 1 1033 . 104 GLN HB2 H 2.08 0.04 2 1034 . 104 GLN HB3 H 1.94 0.04 2 1035 . 104 GLN HG2 H 2.22 0.04 1 1036 . 104 GLN HG3 H 2.22 0.04 1 1037 . 104 GLN C C 178.31 0.50 1 1038 . 104 GLN CA C 56.38 0.50 1 1039 . 104 GLN CB C 28.96 0.50 1 1040 . 104 GLN CG C 33.88 0.50 1 1041 . 104 GLN N N 120.50 0.50 1 1042 . 105 GLU H H 8.06 0.04 1 1043 . 105 GLU HA H 4.24 0.04 1 1044 . 105 GLU HB2 H 2.09 0.04 1 1045 . 105 GLU HB3 H 2.09 0.04 1 1046 . 105 GLU HG2 H 2.49 0.04 2 1047 . 105 GLU HG3 H 2.44 0.04 2 1048 . 105 GLU C C 177.30 0.50 1 1049 . 105 GLU CA C 56.59 0.50 1 1050 . 105 GLU CB C 28.77 0.50 1 1051 . 105 GLU CG C 33.91 0.50 1 1052 . 105 GLU N N 119.40 0.50 1 1053 . 106 GLY H H 8.18 0.04 1 1054 . 106 GLY HA2 H 3.93 0.04 2 1055 . 106 GLY HA3 H 3.58 0.04 2 1056 . 106 GLY C C 174.63 0.50 1 1057 . 106 GLY CA C 45.36 0.50 1 1058 . 106 GLY N N 108.80 0.50 1 1059 . 107 ILE H H 7.86 0.04 1 1060 . 107 ILE HA H 4.08 0.04 1 1061 . 107 ILE HB H 1.85 0.04 1 1062 . 107 ILE HG12 H 1.49 0.04 2 1063 . 107 ILE HG13 H 1.15 0.04 2 1064 . 107 ILE HG2 H 0.86 0.04 1 1065 . 107 ILE HD1 H 0.84 0.04 1 1066 . 107 ILE C C 174.41 0.50 1 1067 . 107 ILE CA C 61.50 0.50 1 1068 . 107 ILE CB C 38.28 0.50 1 1069 . 107 ILE CG1 C 27.56 0.50 1 1070 . 107 ILE CG2 C 17.46 0.50 1 1071 . 107 ILE CD1 C 12.90 0.50 1 1072 . 107 ILE N N 120.40 0.50 1 1073 . 108 LYS H H 8.30 0.04 1 1074 . 108 LYS HA H 4.27 0.04 1 1075 . 108 LYS HB2 H 1.80 0.04 1 1076 . 108 LYS HB3 H 1.80 0.04 1 1077 . 108 LYS HG2 H 1.44 0.04 2 1078 . 108 LYS HG3 H 1.39 0.04 2 1079 . 108 LYS HD2 H 1.65 0.04 1 1080 . 108 LYS HD3 H 1.65 0.04 1 1081 . 108 LYS HE2 H 2.96 0.04 1 1082 . 108 LYS HE3 H 2.96 0.04 1 1083 . 108 LYS C C 177.22 0.50 1 1084 . 108 LYS CA C 56.44 0.50 1 1085 . 108 LYS CB C 32.47 0.50 1 1086 . 108 LYS CG C 24.97 0.50 1 1087 . 108 LYS CD C 29.15 0.50 1 1088 . 108 LYS CE C 42.20 0.50 1 1089 . 108 LYS N N 124.30 0.50 1 1090 . 109 GLU H H 8.33 0.04 1 1091 . 109 GLU HA H 4.36 0.04 1 1092 . 109 GLU HB2 H 2.06 0.04 2 1093 . 109 GLU HB3 H 1.99 0.04 2 1094 . 109 GLU HG2 H 2.41 0.04 1 1095 . 109 GLU HG3 H 2.41 0.04 1 1096 . 109 GLU C C 177.06 0.50 1 1097 . 109 GLU CA C 56.24 0.50 1 1098 . 109 GLU CB C 28.96 0.50 1 1099 . 109 GLU CG C 33.99 0.50 1 1100 . 109 GLU N N 121.30 0.50 1 1101 . 110 THR H H 8.15 0.04 1 1102 . 110 THR HA H 4.25 0.04 1 1103 . 110 THR HB H 4.22 0.04 1 1104 . 110 THR HG2 H 1.19 0.04 1 1105 . 110 THR C C 175.05 0.50 1 1106 . 110 THR CA C 63.32 0.50 1 1107 . 110 THR CB C 69.32 0.50 1 1108 . 110 THR CG2 C 21.76 0.50 1 1109 . 110 THR N N 115.00 0.50 1 1110 . 111 GLN H H 8.32 0.04 1 1111 . 111 GLN HA H 4.28 0.04 1 1112 . 111 GLN HB2 H 2.07 0.04 2 1113 . 111 GLN HB3 H 1.98 0.04 2 1114 . 111 GLN HG2 H 2.37 0.04 1 1115 . 111 GLN HG3 H 2.37 0.04 1 1116 . 111 GLN HE21 H 7.40 0.04 2 1117 . 111 GLN HE22 H 6.90 0.04 2 1118 . 111 GLN C C 176.04 0.50 1 1119 . 111 GLN CA C 55.90 0.50 1 1120 . 111 GLN CB C 29.00 0.50 1 1121 . 111 GLN CG C 33.79 0.50 1 1122 . 111 GLN N N 122.30 0.50 1 1123 . 111 GLN NE2 N 111.83 0.50 1 1124 . 112 ALA H H 8.19 0.04 1 1125 . 112 ALA HA H 4.22 0.04 1 1126 . 112 ALA HB H 1.37 0.04 1 1127 . 112 ALA C C 176.70 0.50 1 1128 . 112 ALA CA C 52.59 0.50 1 1129 . 112 ALA CB C 18.87 0.50 1 1130 . 112 ALA N N 124.55 0.50 1 1131 . 113 LYS H H 8.13 0.04 1 1132 . 113 LYS HA H 4.23 0.04 1 1133 . 113 LYS HB2 H 1.77 0.04 1 1134 . 113 LYS HB3 H 1.77 0.04 1 1135 . 113 LYS HG2 H 1.43 0.04 2 1136 . 113 LYS HG3 H 1.37 0.04 2 1137 . 113 LYS HD2 H 1.66 0.04 1 1138 . 113 LYS HD3 H 1.66 0.04 1 1139 . 113 LYS HE2 H 2.96 0.04 1 1140 . 113 LYS HE3 H 2.96 0.04 1 1141 . 113 LYS CA C 56.16 0.50 1 1142 . 113 LYS CB C 32.67 0.50 1 1143 . 113 LYS CG C 24.98 0.50 1 1144 . 113 LYS CD C 29.11 0.50 1 1145 . 113 LYS CE C 42.23 0.50 1 1146 . 113 LYS N N 119.90 0.50 1 1147 . 114 ARG H H 8.19 0.04 1 1148 . 114 ARG HA H 4.30 0.04 1 1149 . 114 ARG HB2 H 1.78 0.04 2 1150 . 114 ARG HB3 H 1.74 0.04 2 1151 . 114 ARG HG2 H 1.55 0.04 1 1152 . 114 ARG HG3 H 1.55 0.04 1 1153 . 114 ARG HD2 H 3.16 0.04 1 1154 . 114 ARG HD3 H 3.16 0.04 1 1155 . 114 ARG C C 176.55 0.50 1 1156 . 114 ARG CA C 55.99 0.50 1 1157 . 114 ARG CB C 30.61 0.50 1 1158 . 114 ARG CG C 27.18 0.50 1 1159 . 114 ARG CD C 43.36 0.50 1 1160 . 114 ARG N N 122.10 0.50 1 1161 . 115 ILE H H 8.15 0.04 1 1162 . 115 ILE HA H 4.11 0.04 1 1163 . 115 ILE HB H 1.82 0.04 1 1164 . 115 ILE HG12 H 1.66 0.04 2 1165 . 115 ILE HG13 H 1.45 0.04 2 1166 . 115 ILE HG2 H 1.17 0.04 1 1167 . 115 ILE HD1 H 0.84 0.04 1 1168 . 115 ILE C C 175.97 0.50 1 1169 . 115 ILE CA C 60.72 0.50 1 1170 . 115 ILE CB C 38.31 0.50 1 1171 . 115 ILE CG1 C 27.24 0.50 1 1172 . 115 ILE CG2 C 17.57 0.50 1 1173 . 115 ILE CD1 C 12.68 0.50 1 1174 . 115 ILE N N 122.37 0.50 1 1175 . 116 LEU H H 8.24 0.04 1 1176 . 116 LEU HA H 4.35 0.04 1 1177 . 116 LEU HB2 H 1.58 0.04 1 1178 . 116 LEU HB3 H 1.58 0.04 1 1179 . 116 LEU HG H 1.57 0.04 1 1180 . 116 LEU HD1 H 0.88 0.04 2 1181 . 116 LEU HD2 H 0.82 0.04 2 1182 . 116 LEU C C 176.72 0.50 1 1183 . 116 LEU CA C 54.66 0.50 1 1184 . 116 LEU CB C 42.17 0.50 1 1185 . 116 LEU CG C 27.07 0.50 1 1186 . 116 LEU CD1 C 24.60 0.50 1 1187 . 116 LEU CD2 C 23.46 0.50 1 1188 . 116 LEU N N 126.20 0.50 1 1189 . 117 GLN H H 8.26 0.04 1 1190 . 117 GLN HA H 4.62 0.04 1 1191 . 117 GLN HB2 H 2.08 0.04 2 1192 . 117 GLN HB3 H 1.92 0.04 2 1193 . 117 GLN HG2 H 2.35 0.04 1 1194 . 117 GLN HG3 H 2.35 0.04 1 1195 . 117 GLN HE21 H 7.52 0.04 2 1196 . 117 GLN HE22 H 6.85 0.04 2 1197 . 117 GLN CA C 53.63 0.50 1 1198 . 117 GLN CB C 28.80 0.50 1 1199 . 117 GLN CG C 33.65 0.50 1 1200 . 117 GLN N N 122.10 0.50 1 1201 . 117 GLN NE2 N 111.86 0.50 1 1202 . 118 PRO HA H 4.38 0.04 1 1203 . 118 PRO HB2 H 2.27 0.04 2 1204 . 118 PRO HB3 H 1.90 0.04 2 1205 . 118 PRO HG2 H 1.97 0.04 1 1206 . 118 PRO HG3 H 1.97 0.04 1 1207 . 118 PRO HD2 H 3.73 0.04 2 1208 . 118 PRO HD3 H 3.66 0.04 2 1209 . 118 PRO C C 176.83 0.50 1 1210 . 118 PRO CA C 63.09 0.50 1 1211 . 118 PRO CB C 31.88 0.50 1 1212 . 118 PRO CG C 27.25 0.50 1 1213 . 118 PRO CD C 50.49 0.50 1 1214 . 119 SER H H 8.33 0.04 1 1215 . 119 SER HA H 4.40 0.04 1 1216 . 119 SER HB2 H 3.84 0.04 1 1217 . 119 SER HB3 H 3.84 0.04 1 1218 . 119 SER C C 174.42 0.50 1 1219 . 119 SER CA C 58.12 0.50 1 1220 . 119 SER CB C 63.36 0.50 1 1221 . 119 SER N N 115.40 0.50 1 1222 . 120 LEU H H 8.24 0.04 1 1223 . 120 LEU HA H 4.38 0.04 1 1224 . 120 LEU HB2 H 1.59 0.04 1 1225 . 120 LEU HB3 H 1.59 0.04 1 1226 . 120 LEU HG H 1.29 0.04 1 1227 . 120 LEU HD1 H 0.88 0.04 2 1228 . 120 LEU HD2 H 0.82 0.04 2 1229 . 120 LEU C C 176.93 0.50 1 1230 . 120 LEU CA C 55.00 0.50 1 1231 . 120 LEU CB C 42.20 0.50 1 1232 . 120 LEU CG C 27.05 0.50 1 1233 . 120 LEU CD1 C 24.74 0.50 1 1234 . 120 LEU CD2 C 23.51 0.50 1 1235 . 120 LEU N N 124.10 0.50 1 1236 . 121 ILE H H 8.02 0.04 1 1237 . 121 ILE HA H 4.21 0.04 1 1238 . 121 ILE HB H 1.86 0.04 1 1239 . 121 ILE HG12 H 1.43 0.04 2 1240 . 121 ILE HG13 H 1.14 0.04 2 1241 . 121 ILE HG2 H 0.88 0.04 1 1242 . 121 ILE HD1 H 0.81 0.04 1 1243 . 121 ILE CA C 60.68 0.50 1 1244 . 121 ILE CB C 38.53 0.50 1 1245 . 121 ILE CG1 C 27.30 0.50 1 1246 . 121 ILE CG2 C 17.55 0.50 1 1247 . 121 ILE CD1 C 12.84 0.50 1 1248 . 121 ILE N N 121.24 0.50 1 1249 . 122 SER H H 8.04 0.04 1 1250 . 122 SER HA H 4.33 0.04 1 1251 . 122 SER HB2 H 3.83 0.04 1 1252 . 122 SER HB3 H 3.83 0.04 1 1253 . 122 SER CA C 59.03 0.50 1 1254 . 122 SER CB C 64.31 0.50 1 1255 . 122 SER N N 124.14 0.50 1 stop_ save_