data_15569 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF MSIN3A PAH1 DOMAIN ; _BMRB_accession_number 15569 _BMRB_flat_file_name bmr15569.str _Entry_type original _Submission_date 2007-11-27 _Accession_date 2007-11-27 _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 Sahu S. C. . 2 Swanson K. A. . 3 Kang R. S. . 4 Huang K. . . 5 Brubaker K. . . 6 Ratcliff K. . . 7 Radhakrishnan I. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 404 "13C chemical shifts" 321 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ _Original_release_date 2008-06-27 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Conserved themes in target recognition by the PAH1 and PAH2 domains of the Sin3 transcriptional corepressor' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18089292 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sahu S. C. . 2 Swanson K. A. . 3 Kang R. S. . 4 Huang K. . . 5 Brubaker K. . . 6 Ratcliff K. . . 7 Radhakrishnan I. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 375 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1444 _Page_last 1456 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PAH1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PAH1 $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A 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_PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A _Molecular_mass 8087.342 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; QRLKVEDALSYLDQVKLQFG SQPQVYNDFLDIMKEFKSQS IDTPGVISRVSQLFKGHPDL IMGFNTFLPPG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 119 GLN 2 120 ARG 3 121 LEU 4 122 LYS 5 123 VAL 6 124 GLU 7 125 ASP 8 126 ALA 9 127 LEU 10 128 SER 11 129 TYR 12 130 LEU 13 131 ASP 14 132 GLN 15 133 VAL 16 134 LYS 17 135 LEU 18 136 GLN 19 137 PHE 20 138 GLY 21 139 SER 22 140 GLN 23 141 PRO 24 142 GLN 25 143 VAL 26 144 TYR 27 145 ASN 28 146 ASP 29 147 PHE 30 148 LEU 31 149 ASP 32 150 ILE 33 151 MET 34 152 LYS 35 153 GLU 36 154 PHE 37 155 LYS 38 156 SER 39 157 GLN 40 158 SER 41 159 ILE 42 160 ASP 43 161 THR 44 162 PRO 45 163 GLY 46 164 VAL 47 165 ILE 48 166 SER 49 167 ARG 50 168 VAL 51 169 SER 52 170 GLN 53 171 LEU 54 172 PHE 55 173 LYS 56 174 GLY 57 175 HIS 58 176 PRO 59 177 ASP 60 178 LEU 61 179 ILE 62 180 MET 63 181 GLY 64 182 PHE 65 183 ASN 66 184 THR 67 185 PHE 68 186 LEU 69 187 PRO 70 188 PRO 71 189 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 15570 PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A 100.00 71 100.00 100.00 1.49e-42 PDB 2RMR "Solution Structure Of Msin3a Pah1 Domain" 100.00 71 100.00 100.00 1.49e-42 PDB 2RMS "Solution Structure Of The Msin3a Pah1-Sap25 Sid Complex" 100.00 71 100.00 100.00 1.49e-42 EMBL CDQ82228 "unnamed protein product [Oncorhynchus mykiss]" 100.00 290 98.59 100.00 5.07e-41 GB AAH81027 "Unknown (protein for MGC:81671) [Xenopus laevis]" 100.00 1059 97.18 100.00 3.92e-38 GB ETE65880 "Paired amphipathic helix protein Sin3a [Ophiophagus hannah]" 100.00 1219 100.00 100.00 3.62e-39 REF NP_001129640 "paired amphipathic helix protein Sin3a-like [Xenopus laevis]" 100.00 1059 97.18 100.00 3.92e-38 REF XP_012362542 "PREDICTED: LOW QUALITY PROTEIN: paired amphipathic helix protein Sin3a [Nomascus leucogenys]" 100.00 1250 100.00 100.00 4.72e-39 REF XP_013921538 "PREDICTED: paired amphipathic helix protein Sin3a, partial [Thamnophis sirtalis]" 54.93 848 100.00 100.00 2.54e-15 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A MOUSE 10090 Eukaryota Metazoa Mus Musculus SIN3A stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A 'recombinant technology' . ESCHERICHIA COLI . PLASMID PET30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.7-1.0MM [U-13C/15N SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 100% D2O; 0.7- 1.0MM [U-15N] SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 90% H2O/10% D2O; 0.7-1.0MM [U- 13C; U-15N] SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A 1 mM '[U-100% 15N]' 'SODIUM PHOSPHATE' 20 mM 'natural abundance' 'SODIUM AZIDE' 0.2 % 'natural abundance' DTT 2 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % . stop_ save_ save_sample)_2 _Saveframe_category sample _Sample_type solution _Details '0.7-1.0MM [U-13C/15N SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 100% D2O; 0.7- 1.0MM [U-15N] SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 90% H2O/10% D2O; 0.7-1.0MM [U- 13C; U-15N] SIN3A PAH1 DOMAIN, 20MM SODIUM PHOSPHATE, 2MM DTT, 0.2% SODIUM AZIDE, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A 1 mM '[U-100% 13C; U-100% 15N]' 'SODIUM PHOSPHATE' 20 mM 'natural abundance' 'SODIUM AZIDE' 0.2 % 'natural abundance' DTT 2 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'BRUNGER, ADAMS, CLORE, GROS, NILGES, READ' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_FELIX _Saveframe_category software _Name FELIX _Version 98.0 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_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' 0.02 . M pH 6 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PAH1 _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 1 119 1 GLN HA H 4.06 0.03 1 2 119 1 GLN HB2 H 1.99 0.03 2 3 119 1 GLN HB3 H 2.19 0.03 2 4 119 1 GLN HE21 H 7.64 0.03 2 5 119 1 GLN HE22 H 6.94 0.03 2 6 119 1 GLN HG2 H 2.17 0.03 2 7 119 1 GLN HG3 H 2.43 0.03 2 8 119 1 GLN C C 177.73 0.20 1 9 119 1 GLN CA C 59.44 0.20 1 10 119 1 GLN CB C 28.12 0.20 1 11 119 1 GLN CG C 36.66 0.20 1 12 119 1 GLN NE2 N 112.22 0.30 1 13 120 2 ARG H H 8.52 0.03 1 14 120 2 ARG HA H 4.32 0.03 1 15 120 2 ARG HB2 H 1.75 0.03 2 16 120 2 ARG HB3 H 1.80 0.03 2 17 120 2 ARG HD3 H 3.17 0.03 2 18 120 2 ARG HG3 H 1.60 0.03 2 19 120 2 ARG C C 176.02 0.20 1 20 120 2 ARG CA C 56.27 0.20 1 21 120 2 ARG CB C 30.97 0.20 1 22 120 2 ARG CD C 43.47 0.20 1 23 120 2 ARG CG C 26.99 0.20 1 24 120 2 ARG N N 123.46 0.30 1 25 121 3 LEU H H 8.55 0.03 1 26 121 3 LEU HA H 4.34 0.03 1 27 121 3 LEU HB3 H 1.57 0.03 2 28 121 3 LEU HD1 H 0.86 0.03 2 29 121 3 LEU HD2 H 0.80 0.03 2 30 121 3 LEU HG H 1.57 0.03 1 31 121 3 LEU C C 177.20 0.20 1 32 121 3 LEU CA C 55.28 0.20 1 33 121 3 LEU CB C 42.79 0.20 1 34 121 3 LEU CD1 C 24.84 0.20 2 35 121 3 LEU CD2 C 23.51 0.20 2 36 121 3 LEU CG C 27.05 0.20 1 37 121 3 LEU N N 124.80 0.30 1 38 122 4 LYS H H 8.53 0.03 1 39 122 4 LYS HA H 4.35 0.03 1 40 122 4 LYS HB2 H 1.74 0.03 2 41 122 4 LYS HB3 H 1.85 0.03 2 42 122 4 LYS HD3 H 1.68 0.03 2 43 122 4 LYS HE3 H 2.96 0.03 2 44 122 4 LYS HG2 H 1.37 0.03 2 45 122 4 LYS HG3 H 1.44 0.03 2 46 122 4 LYS C C 177.16 0.20 1 47 122 4 LYS CA C 56.36 0.20 1 48 122 4 LYS CB C 33.04 0.20 1 49 122 4 LYS CD C 29.09 0.20 1 50 122 4 LYS CE C 41.68 0.20 1 51 122 4 LYS CG C 24.77 0.20 1 52 122 4 LYS N N 123.46 0.30 1 53 123 5 VAL H H 8.35 0.03 1 54 123 5 VAL HA H 3.92 0.03 1 55 123 5 VAL HB H 2.02 0.03 1 56 123 5 VAL HG1 H 0.92 0.03 2 57 123 5 VAL HG2 H 0.92 0.03 2 58 123 5 VAL C C 176.70 0.20 1 59 123 5 VAL CA C 63.61 0.20 1 60 123 5 VAL CB C 32.51 0.20 1 61 123 5 VAL CG1 C 21.05 0.20 2 62 123 5 VAL CG2 C 21.05 0.20 2 63 123 5 VAL N N 122.73 0.30 1 64 124 6 GLU H H 8.72 0.03 1 65 124 6 GLU HA H 4.20 0.03 1 66 124 6 GLU HB2 H 1.93 0.03 2 67 124 6 GLU HB3 H 2.06 0.03 2 68 124 6 GLU HG3 H 2.26 0.03 2 69 124 6 GLU C C 176.87 0.20 1 70 124 6 GLU CA C 57.51 0.20 1 71 124 6 GLU CB C 29.98 0.20 1 72 124 6 GLU CG C 36.56 0.20 1 73 124 6 GLU N N 122.54 0.30 1 74 125 7 ASP H H 8.05 0.03 1 75 125 7 ASP HA H 4.58 0.03 1 76 125 7 ASP HB3 H 2.70 0.03 2 77 125 7 ASP C C 176.67 0.20 1 78 125 7 ASP CA C 54.90 0.20 1 79 125 7 ASP CB C 41.27 0.20 1 80 125 7 ASP N N 120.53 0.30 1 81 126 8 ALA H H 8.15 0.03 1 82 126 8 ALA HA H 4.22 0.03 1 83 126 8 ALA HB H 1.38 0.03 1 84 126 8 ALA C C 178.20 0.20 1 85 126 8 ALA CA C 53.40 0.20 1 86 126 8 ALA CB C 19.12 0.20 1 87 126 8 ALA N N 124.23 0.30 1 88 127 9 LEU H H 8.12 0.03 1 89 127 9 LEU HA H 4.31 0.03 1 90 127 9 LEU HB2 H 1.57 0.03 2 91 127 9 LEU HB3 H 1.74 0.03 2 92 127 9 LEU HD1 H 0.88 0.03 2 93 127 9 LEU HD2 H 0.88 0.03 2 94 127 9 LEU HG H 1.74 0.03 1 95 127 9 LEU C C 178.94 0.20 1 96 127 9 LEU CA C 56.37 0.20 1 97 127 9 LEU CB C 42.43 0.20 1 98 127 9 LEU CD1 C 23.32 0.20 2 99 127 9 LEU CD2 C 25.43 0.20 2 100 127 9 LEU CG C 27.25 0.20 1 101 127 9 LEU N N 119.96 0.30 1 102 128 10 SER H H 8.81 0.03 1 103 128 10 SER HA H 4.42 0.03 1 104 128 10 SER HB2 H 4.05 0.03 2 105 128 10 SER HB3 H 4.20 0.03 2 106 128 10 SER C C 175.97 0.20 1 107 128 10 SER CA C 59.39 0.20 1 108 128 10 SER CB C 63.78 0.20 1 109 128 10 SER N N 117.72 0.30 1 110 129 11 TYR H H 8.57 0.03 1 111 129 11 TYR HA H 4.11 0.03 1 112 129 11 TYR HB2 H 2.91 0.03 2 113 129 11 TYR HB3 H 3.22 0.03 2 114 129 11 TYR HD1 H 6.72 0.03 3 115 129 11 TYR HE1 H 6.63 0.03 3 116 129 11 TYR C C 177.47 0.20 1 117 129 11 TYR CA C 62.83 0.20 1 118 129 11 TYR CB C 38.91 0.20 1 119 129 11 TYR CD1 C 132.49 0.20 1 120 129 11 TYR CE1 C 116.88 0.20 1 121 129 11 TYR N N 123.93 0.30 1 122 130 12 LEU H H 8.30 0.03 1 123 130 12 LEU HA H 3.87 0.03 1 124 130 12 LEU HB3 H 1.88 0.03 2 125 130 12 LEU HD1 H 1.17 0.03 2 126 130 12 LEU HD2 H 1.15 0.03 2 127 130 12 LEU HG H 2.09 0.03 1 128 130 12 LEU C C 179.61 0.20 1 129 130 12 LEU CA C 58.48 0.20 1 130 130 12 LEU CB C 41.38 0.20 1 131 130 12 LEU CD1 C 25.08 0.20 2 132 130 12 LEU CD2 C 23.58 0.20 2 133 130 12 LEU CG C 27.57 0.20 1 134 130 12 LEU N N 117.28 0.30 1 135 131 13 ASP H H 7.78 0.03 1 136 131 13 ASP HA H 4.36 0.03 1 137 131 13 ASP HB2 H 2.54 0.03 2 138 131 13 ASP HB3 H 2.85 0.03 2 139 131 13 ASP C C 179.14 0.20 1 140 131 13 ASP CA C 56.76 0.20 1 141 131 13 ASP CB C 40.61 0.20 1 142 131 13 ASP N N 117.90 0.30 1 143 132 14 GLN H H 7.92 0.03 1 144 132 14 GLN HA H 3.88 0.03 1 145 132 14 GLN HB2 H 1.89 0.03 2 146 132 14 GLN HB3 H 2.08 0.03 2 147 132 14 GLN HE21 H 7.23 0.03 2 148 132 14 GLN HE22 H 6.82 0.03 2 149 132 14 GLN HG2 H 2.26 0.03 2 150 132 14 GLN HG3 H 2.34 0.03 2 151 132 14 GLN C C 178.83 0.20 1 152 132 14 GLN CA C 59.11 0.20 1 153 132 14 GLN CB C 28.26 0.20 1 154 132 14 GLN CG C 34.08 0.20 1 155 132 14 GLN N N 121.15 0.30 1 156 132 14 GLN NE2 N 110.99 0.30 1 157 133 15 VAL H H 7.85 0.03 1 158 133 15 VAL HA H 3.04 0.03 1 159 133 15 VAL HB H 2.10 0.03 1 160 133 15 VAL HG1 H 0.78 0.03 1 161 133 15 VAL HG2 H 0.20 0.03 1 162 133 15 VAL C C 177.71 0.20 1 163 133 15 VAL CA C 67.11 0.20 1 164 133 15 VAL CB C 31.93 0.20 1 165 133 15 VAL CG1 C 22.33 0.20 1 166 133 15 VAL CG2 C 22.53 0.20 1 167 133 15 VAL N N 120.14 0.30 1 168 134 16 LYS H H 7.98 0.03 1 169 134 16 LYS HA H 3.35 0.03 1 170 134 16 LYS HB2 H 1.50 0.03 2 171 134 16 LYS HB3 H 1.65 0.03 2 172 134 16 LYS HD3 H 1.36 0.03 2 173 134 16 LYS HE3 H 2.68 0.03 2 174 134 16 LYS HG2 H 0.79 0.03 2 175 134 16 LYS HG3 H 0.92 0.03 2 176 134 16 LYS C C 179.82 0.20 1 177 134 16 LYS CA C 59.63 0.20 1 178 134 16 LYS CB C 32.74 0.20 1 179 134 16 LYS CD C 29.28 0.20 1 180 134 16 LYS CE C 41.88 0.20 1 181 134 16 LYS CG C 24.92 0.20 1 182 134 16 LYS N N 118.24 0.30 1 183 135 17 LEU H H 7.87 0.03 1 184 135 17 LEU HA H 3.98 0.03 1 185 135 17 LEU HB3 H 1.62 0.03 2 186 135 17 LEU HD1 H 0.80 0.03 2 187 135 17 LEU HD2 H 0.80 0.03 2 188 135 17 LEU HG H 1.54 0.03 1 189 135 17 LEU C C 180.46 0.20 1 190 135 17 LEU CA C 57.52 0.20 1 191 135 17 LEU CB C 42.61 0.20 1 192 135 17 LEU CD1 C 24.36 0.20 2 193 135 17 LEU CD2 C 24.36 0.20 2 194 135 17 LEU CG C 26.94 0.20 1 195 135 17 LEU N N 118.09 0.30 1 196 136 18 GLN H H 8.02 0.03 1 197 136 18 GLN HA H 3.81 0.03 1 198 136 18 GLN HB2 H 1.40 0.03 2 199 136 18 GLN HB3 H 1.54 0.03 2 200 136 18 GLN HE21 H 7.35 0.03 2 201 136 18 GLN HE22 H 7.21 0.03 2 202 136 18 GLN HG3 H 1.84 0.03 2 203 136 18 GLN C C 177.39 0.20 1 204 136 18 GLN CA C 58.37 0.20 1 205 136 18 GLN CB C 28.20 0.20 1 206 136 18 GLN CG C 34.07 0.20 1 207 136 18 GLN N N 118.08 0.30 1 208 136 18 GLN NE2 N 113.82 0.30 1 209 137 19 PHE H H 7.54 0.03 1 210 137 19 PHE HA H 4.84 0.03 1 211 137 19 PHE HB2 H 2.43 0.03 2 212 137 19 PHE HB3 H 3.71 0.03 2 213 137 19 PHE HD1 H 7.20 0.03 3 214 137 19 PHE HE1 H 6.71 0.03 3 215 137 19 PHE HZ H 6.43 0.03 1 216 137 19 PHE C C 177.72 0.20 1 217 137 19 PHE CA C 57.83 0.20 1 218 137 19 PHE CB C 37.52 0.20 1 219 137 19 PHE CD1 C 131.63 0.20 1 220 137 19 PHE CE1 C 131.10 0.20 1 221 137 19 PHE CG C 140.50 0.20 1 222 137 19 PHE CZ C 127.99 0.20 1 223 137 19 PHE N N 114.52 0.30 1 224 138 20 GLY H H 7.64 0.03 1 225 138 20 GLY HA2 H 3.74 0.03 2 226 138 20 GLY HA3 H 3.97 0.03 2 227 138 20 GLY C C 175.63 0.20 1 228 138 20 GLY CA C 48.32 0.20 1 229 138 20 GLY N N 111.08 0.30 1 230 139 21 SER H H 8.42 0.03 1 231 139 21 SER HA H 4.61 0.03 1 232 139 21 SER HB2 H 3.94 0.03 2 233 139 21 SER HB3 H 4.07 0.03 2 234 139 21 SER C C 174.20 0.20 1 235 139 21 SER CA C 58.42 0.20 1 236 139 21 SER CB C 63.72 0.20 1 237 139 21 SER N N 112.13 0.30 1 238 140 22 GLN H H 7.82 0.03 1 239 140 22 GLN HA H 4.96 0.03 1 240 140 22 GLN HB2 H 2.14 0.03 2 241 140 22 GLN HB3 H 2.36 0.03 2 242 140 22 GLN HE21 H 7.68 0.03 2 243 140 22 GLN HE22 H 7.01 0.03 2 244 140 22 GLN HG3 H 2.39 0.03 2 245 140 22 GLN CA C 53.83 0.20 1 246 140 22 GLN CB C 31.09 0.20 1 247 140 22 GLN CG C 34.10 0.20 1 248 140 22 GLN N N 121.48 0.30 1 249 140 22 GLN NE2 N 111.43 0.30 1 250 141 23 PRO HA H 4.35 0.03 1 251 141 23 PRO HB2 H 2.07 0.03 2 252 141 23 PRO HB3 H 2.39 0.03 2 253 141 23 PRO HD2 H 3.43 0.03 2 254 141 23 PRO HD3 H 3.74 0.03 2 255 141 23 PRO HG3 H 2.06 0.03 2 256 141 23 PRO C C 178.14 0.20 1 257 141 23 PRO CA C 65.37 0.20 1 258 141 23 PRO CB C 31.85 0.20 1 259 141 23 PRO CD C 50.60 0.20 1 260 141 23 PRO CG C 27.53 0.20 1 261 142 24 GLN H H 8.90 0.03 1 262 142 24 GLN HA H 4.05 0.03 1 263 142 24 GLN HB2 H 1.99 0.03 2 264 142 24 GLN HB3 H 2.18 0.03 2 265 142 24 GLN HE21 H 8.01 0.03 2 266 142 24 GLN HE22 H 7.03 0.03 2 267 142 24 GLN HG2 H 2.42 0.03 2 268 142 24 GLN HG3 H 2.50 0.03 2 269 142 24 GLN C C 177.80 0.20 1 270 142 24 GLN CA C 58.36 0.20 1 271 142 24 GLN CB C 28.16 0.20 1 272 142 24 GLN CG C 33.47 0.20 1 273 142 24 GLN N N 118.39 0.30 1 274 142 24 GLN NE2 N 115.59 0.30 1 275 143 25 VAL H H 7.82 0.03 1 276 143 25 VAL HA H 3.59 0.03 1 277 143 25 VAL HB H 1.68 0.03 1 278 143 25 VAL HG1 H -0.06 0.03 1 279 143 25 VAL HG2 H 0.92 0.03 1 280 143 25 VAL C C 178.04 0.20 1 281 143 25 VAL CA C 66.45 0.20 1 282 143 25 VAL CB C 31.88 0.20 1 283 143 25 VAL CG1 C 19.70 0.20 1 284 143 25 VAL CG2 C 22.26 0.20 1 285 143 25 VAL N N 118.95 0.30 1 286 144 26 TYR H H 7.13 0.03 1 287 144 26 TYR HA H 4.04 0.03 1 288 144 26 TYR HB2 H 3.00 0.03 2 289 144 26 TYR HB3 H 3.11 0.03 2 290 144 26 TYR HD1 H 6.99 0.03 3 291 144 26 TYR HE1 H 6.85 0.03 3 292 144 26 TYR C C 176.83 0.20 1 293 144 26 TYR CA C 61.72 0.20 1 294 144 26 TYR CB C 38.84 0.20 1 295 144 26 TYR CD1 C 132.47 0.20 1 296 144 26 TYR CE1 C 118.47 0.20 1 297 144 26 TYR N N 118.09 0.30 1 298 145 27 ASN H H 7.94 0.03 1 299 145 27 ASN HA H 4.20 0.03 1 300 145 27 ASN HB2 H 2.76 0.03 2 301 145 27 ASN HB3 H 2.89 0.03 2 302 145 27 ASN HD21 H 7.45 0.03 2 303 145 27 ASN HD22 H 6.96 0.03 2 304 145 27 ASN C C 178.09 0.20 1 305 145 27 ASN CA C 56.59 0.20 1 306 145 27 ASN CB C 38.12 0.20 1 307 145 27 ASN N N 116.54 0.30 1 308 145 27 ASN ND2 N 111.75 0.30 1 309 146 28 ASP H H 8.65 0.03 1 310 146 28 ASP HA H 4.32 0.03 1 311 146 28 ASP HB2 H 2.49 0.03 2 312 146 28 ASP HB3 H 2.92 0.03 2 313 146 28 ASP C C 179.29 0.20 1 314 146 28 ASP CA C 57.36 0.20 1 315 146 28 ASP CB C 39.99 0.20 1 316 146 28 ASP N N 121.88 0.30 1 317 147 29 PHE H H 8.36 0.03 1 318 147 29 PHE HA H 3.88 0.03 1 319 147 29 PHE HB2 H 3.03 0.03 2 320 147 29 PHE HB3 H 3.31 0.03 2 321 147 29 PHE HD1 H 6.80 0.03 3 322 147 29 PHE HE1 H 7.24 0.03 3 323 147 29 PHE HZ H 7.45 0.03 1 324 147 29 PHE C C 176.68 0.20 1 325 147 29 PHE CA C 61.51 0.20 1 326 147 29 PHE CB C 38.34 0.20 1 327 147 29 PHE CD1 C 131.69 0.20 1 328 147 29 PHE CE1 C 130.80 0.20 1 329 147 29 PHE CG C 138.00 0.20 1 330 147 29 PHE CZ C 130.20 0.20 1 331 147 29 PHE N N 122.60 0.30 1 332 148 30 LEU H H 8.05 0.03 1 333 148 30 LEU HA H 3.58 0.03 1 334 148 30 LEU HB2 H 1.25 0.03 2 335 148 30 LEU HB3 H 1.90 0.03 2 336 148 30 LEU HD1 H 0.73 0.03 2 337 148 30 LEU HD2 H 0.73 0.03 2 338 148 30 LEU HG H 1.43 0.03 1 339 148 30 LEU C C 180.99 0.20 1 340 148 30 LEU CA C 57.93 0.20 1 341 148 30 LEU CB C 40.97 0.20 1 342 148 30 LEU CD1 C 25.69 0.20 2 343 148 30 LEU CD2 C 21.93 0.20 2 344 148 30 LEU CG C 26.27 0.20 1 345 148 30 LEU N N 118.84 0.30 1 346 149 31 ASP H H 7.96 0.03 1 347 149 31 ASP HA H 4.40 0.03 1 348 149 31 ASP HB2 H 2.66 0.03 2 349 149 31 ASP HB3 H 2.80 0.03 2 350 149 31 ASP C C 179.14 0.20 1 351 149 31 ASP CA C 57.71 0.20 1 352 149 31 ASP CB C 40.20 0.20 1 353 149 31 ASP N N 120.59 0.30 1 354 150 32 ILE H H 7.86 0.03 1 355 150 32 ILE HA H 3.59 0.03 1 356 150 32 ILE HB H 1.72 0.03 1 357 150 32 ILE HD1 H 0.63 0.03 1 358 150 32 ILE HG12 H 0.73 0.03 2 359 150 32 ILE HG13 H 1.78 0.03 2 360 150 32 ILE HG2 H 0.63 0.03 1 361 150 32 ILE C C 178.40 0.20 1 362 150 32 ILE CA C 65.35 0.20 1 363 150 32 ILE CB C 38.16 0.20 1 364 150 32 ILE CD1 C 14.99 0.20 1 365 150 32 ILE CG1 C 29.41 0.20 1 366 150 32 ILE CG2 C 18.45 0.20 1 367 150 32 ILE N N 122.52 0.30 1 368 151 33 MET H H 7.77 0.03 1 369 151 33 MET HA H 4.45 0.03 1 370 151 33 MET HB3 H 1.94 0.03 2 371 151 33 MET HE H 1.83 0.03 1 372 151 33 MET HG2 H 1.67 0.03 2 373 151 33 MET HG3 H 2.20 0.03 2 374 151 33 MET C C 179.90 0.20 1 375 151 33 MET CA C 56.52 0.20 1 376 151 33 MET CB C 30.09 0.20 1 377 151 33 MET CE C 16.09 0.20 1 378 151 33 MET CG C 31.82 0.20 1 379 151 33 MET N N 116.94 0.30 1 380 152 34 LYS H H 8.02 0.03 1 381 152 34 LYS HA H 4.06 0.03 1 382 152 34 LYS HB3 H 1.99 0.03 2 383 152 34 LYS HD3 H 1.69 0.03 2 384 152 34 LYS HE3 H 2.93 0.03 2 385 152 34 LYS HG2 H 1.39 0.03 2 386 152 34 LYS HG3 H 1.61 0.03 2 387 152 34 LYS C C 180.05 0.20 1 388 152 34 LYS CA C 59.99 0.20 1 389 152 34 LYS CB C 32.38 0.20 1 390 152 34 LYS CD C 29.64 0.20 1 391 152 34 LYS CE C 40.85 0.20 1 392 152 34 LYS CG C 25.10 0.20 1 393 152 34 LYS N N 121.98 0.30 1 394 153 35 GLU H H 7.95 0.03 1 395 153 35 GLU HA H 4.06 0.03 1 396 153 35 GLU HB2 H 2.01 0.03 2 397 153 35 GLU HB3 H 2.20 0.03 2 398 153 35 GLU HG3 H 2.42 0.03 2 399 153 35 GLU C C 179.02 0.20 1 400 153 35 GLU CA C 59.37 0.20 1 401 153 35 GLU CB C 29.34 0.20 1 402 153 35 GLU CG C 36.60 0.20 1 403 153 35 GLU N N 120.83 0.30 1 404 154 36 PHE H H 8.48 0.03 1 405 154 36 PHE HA H 4.47 0.03 1 406 154 36 PHE HB2 H 3.09 0.03 2 407 154 36 PHE HB3 H 3.28 0.03 2 408 154 36 PHE HD1 H 7.21 0.03 3 409 154 36 PHE HE1 H 7.30 0.03 3 410 154 36 PHE HZ H 7.30 0.03 1 411 154 36 PHE C C 179.50 0.20 1 412 154 36 PHE CA C 60.08 0.20 1 413 154 36 PHE CB C 39.68 0.20 1 414 154 36 PHE CD1 C 131.46 0.20 1 415 154 36 PHE CE1 C 131.40 0.20 1 416 154 36 PHE CG C 137.14 0.20 1 417 154 36 PHE CZ C 130.60 0.20 1 418 154 36 PHE N N 120.43 0.30 1 419 155 37 LYS H H 8.61 0.03 1 420 155 37 LYS HA H 3.88 0.03 1 421 155 37 LYS HB3 H 1.96 0.03 2 422 155 37 LYS HD3 H 1.65 0.03 2 423 155 37 LYS HE3 H 2.95 0.03 2 424 155 37 LYS HG2 H 1.51 0.03 2 425 155 37 LYS HG3 H 1.61 0.03 2 426 155 37 LYS C C 178.26 0.20 1 427 155 37 LYS CA C 58.95 0.20 1 428 155 37 LYS CB C 32.12 0.20 1 429 155 37 LYS CD C 29.08 0.20 1 430 155 37 LYS CE C 42.19 0.20 1 431 155 37 LYS CG C 25.27 0.20 1 432 155 37 LYS N N 121.40 0.30 1 433 156 38 SER H H 7.84 0.03 1 434 156 38 SER HA H 4.40 0.03 1 435 156 38 SER HB2 H 3.92 0.03 2 436 156 38 SER HB3 H 4.08 0.03 2 437 156 38 SER C C 173.95 0.20 1 438 156 38 SER CA C 58.85 0.20 1 439 156 38 SER CB C 63.79 0.20 1 440 156 38 SER N N 112.57 0.30 1 441 157 39 GLN H H 7.97 0.03 1 442 157 39 GLN HA H 4.12 0.03 1 443 157 39 GLN HB2 H 2.24 0.03 2 444 157 39 GLN HB3 H 2.32 0.03 2 445 157 39 GLN HE21 H 7.48 0.03 2 446 157 39 GLN HE22 H 6.71 0.03 2 447 157 39 GLN HG2 H 2.17 0.03 2 448 157 39 GLN HG3 H 2.22 0.03 2 449 157 39 GLN C C 175.95 0.20 1 450 157 39 GLN CA C 57.38 0.20 1 451 157 39 GLN CB C 26.18 0.20 1 452 157 39 GLN CG C 34.53 0.20 1 453 157 39 GLN N N 115.04 0.30 1 454 157 39 GLN NE2 N 112.27 0.30 1 455 158 40 SER H H 8.43 0.03 1 456 158 40 SER HA H 4.39 0.03 1 457 158 40 SER HB3 H 3.86 0.03 2 458 158 40 SER C C 174.16 0.20 1 459 158 40 SER CA C 59.91 0.20 1 460 158 40 SER CB C 63.54 0.20 1 461 158 40 SER N N 114.43 0.30 1 462 159 41 ILE H H 7.30 0.03 1 463 159 41 ILE HA H 4.49 0.03 1 464 159 41 ILE HB H 1.77 0.03 1 465 159 41 ILE HD1 H 0.75 0.03 1 466 159 41 ILE HG12 H 1.01 0.03 2 467 159 41 ILE HG13 H 1.50 0.03 2 468 159 41 ILE HG2 H 0.85 0.03 1 469 159 41 ILE C C 173.63 0.20 1 470 159 41 ILE CA C 59.88 0.20 1 471 159 41 ILE CB C 41.64 0.20 1 472 159 41 ILE CD1 C 14.28 0.20 1 473 159 41 ILE CG1 C 26.20 0.20 1 474 159 41 ILE CG2 C 16.72 0.20 1 475 159 41 ILE N N 115.72 0.30 1 476 160 42 ASP H H 7.95 0.03 1 477 160 42 ASP HA H 4.88 0.03 1 478 160 42 ASP HB2 H 2.80 0.03 2 479 160 42 ASP HB3 H 3.19 0.03 2 480 160 42 ASP C C 175.91 0.20 1 481 160 42 ASP CA C 52.19 0.20 1 482 160 42 ASP CB C 41.79 0.20 1 483 160 42 ASP N N 122.60 0.30 1 484 161 43 THR H H 8.67 0.03 1 485 161 43 THR HA H 4.15 0.03 1 486 161 43 THR HB H 4.45 0.03 1 487 161 43 THR HG2 H 1.27 0.03 1 488 161 43 THR CA C 68.82 0.20 1 489 161 43 THR CB C 66.48 0.20 1 490 161 43 THR CG2 C 22.95 0.20 1 491 161 43 THR N N 115.21 0.30 1 492 162 44 PRO HA H 4.22 0.03 1 493 162 44 PRO HB2 H 1.84 0.03 2 494 162 44 PRO HB3 H 2.25 0.03 2 495 162 44 PRO HD2 H 3.68 0.03 2 496 162 44 PRO HD3 H 3.82 0.03 2 497 162 44 PRO HG2 H 1.95 0.03 2 498 162 44 PRO HG3 H 2.17 0.03 2 499 162 44 PRO C C 180.09 0.20 1 500 162 44 PRO CA C 66.04 0.20 1 501 162 44 PRO CB C 30.58 0.20 1 502 162 44 PRO CD C 49.49 0.20 1 503 162 44 PRO CG C 28.15 0.20 1 504 163 45 GLY H H 8.11 0.03 1 505 163 45 GLY HA2 H 3.78 0.03 2 506 163 45 GLY HA3 H 3.86 0.03 2 507 163 45 GLY C C 176.52 0.20 1 508 163 45 GLY CA C 47.33 0.20 1 509 163 45 GLY N N 107.49 0.30 1 510 164 46 VAL H H 8.77 0.03 1 511 164 46 VAL HA H 3.65 0.03 1 512 164 46 VAL HB H 1.96 0.03 1 513 164 46 VAL HG1 H 0.78 0.03 2 514 164 46 VAL HG2 H 0.78 0.03 2 515 164 46 VAL C C 176.99 0.20 1 516 164 46 VAL CA C 66.28 0.20 1 517 164 46 VAL CB C 31.60 0.20 1 518 164 46 VAL CG1 C 21.33 0.20 2 519 164 46 VAL CG2 C 24.12 0.20 2 520 164 46 VAL N N 125.26 0.30 1 521 165 47 ILE H H 8.18 0.03 1 522 165 47 ILE HA H 3.51 0.03 1 523 165 47 ILE HB H 1.86 0.03 1 524 165 47 ILE HD1 H 0.85 0.03 1 525 165 47 ILE HG12 H 1.17 0.03 2 526 165 47 ILE HG13 H 1.81 0.03 2 527 165 47 ILE HG2 H 0.93 0.03 1 528 165 47 ILE C C 179.87 0.20 1 529 165 47 ILE CA C 65.98 0.20 1 530 165 47 ILE CB C 38.10 0.20 1 531 165 47 ILE CD1 C 13.56 0.20 1 532 165 47 ILE CG1 C 30.01 0.20 1 533 165 47 ILE CG2 C 16.86 0.20 1 534 165 47 ILE N N 121.94 0.30 1 535 166 48 SER H H 8.18 0.03 1 536 166 48 SER HA H 4.17 0.03 1 537 166 48 SER HB3 H 3.97 0.03 2 538 166 48 SER C C 177.71 0.20 1 539 166 48 SER CA C 61.55 0.20 1 540 166 48 SER CB C 62.95 0.20 1 541 166 48 SER N N 115.86 0.30 1 542 167 49 ARG H H 7.92 0.03 1 543 167 49 ARG HA H 3.98 0.03 1 544 167 49 ARG HB2 H 1.71 0.03 2 545 167 49 ARG HB3 H 1.76 0.03 2 546 167 49 ARG HD3 H 3.07 0.03 2 547 167 49 ARG HG2 H 1.65 0.03 2 548 167 49 ARG HG3 H 1.76 0.03 2 549 167 49 ARG C C 180.02 0.20 1 550 167 49 ARG CA C 59.04 0.20 1 551 167 49 ARG CB C 30.18 0.20 1 552 167 49 ARG CD C 42.88 0.20 1 553 167 49 ARG CG C 27.28 0.20 1 554 167 49 ARG N N 120.48 0.30 1 555 168 50 VAL H H 8.62 0.03 1 556 168 50 VAL HA H 2.96 0.03 1 557 168 50 VAL HB H 1.51 0.03 1 558 168 50 VAL HG1 H 0.17 0.03 1 559 168 50 VAL HG2 H 0.28 0.03 1 560 168 50 VAL C C 176.89 0.20 1 561 168 50 VAL CA C 67.18 0.20 1 562 168 50 VAL CB C 31.48 0.20 1 563 168 50 VAL CG1 C 20.93 0.20 1 564 168 50 VAL CG2 C 23.44 0.20 1 565 168 50 VAL N N 121.56 0.30 1 566 169 51 SER H H 8.15 0.03 1 567 169 51 SER HA H 4.00 0.03 1 568 169 51 SER HB2 H 3.90 0.03 2 569 169 51 SER HB3 H 3.98 0.03 2 570 169 51 SER C C 176.06 0.20 1 571 169 51 SER CA C 62.50 0.20 1 572 169 51 SER CB C 62.40 0.20 1 573 169 51 SER N N 115.00 0.30 1 574 170 52 GLN H H 7.26 0.03 1 575 170 52 GLN HA H 4.16 0.03 1 576 170 52 GLN HB3 H 2.07 0.03 2 577 170 52 GLN HE21 H 7.43 0.03 2 578 170 52 GLN HE22 H 6.88 0.03 2 579 170 52 GLN HG3 H 2.41 0.03 2 580 170 52 GLN C C 178.57 0.20 1 581 170 52 GLN CA C 58.05 0.20 1 582 170 52 GLN CB C 28.79 0.20 1 583 170 52 GLN CG C 33.74 0.20 1 584 170 52 GLN N N 118.26 0.30 1 585 170 52 GLN NE2 N 112.25 0.30 1 586 171 53 LEU H H 7.86 0.03 1 587 171 53 LEU HA H 3.99 0.03 1 588 171 53 LEU HB2 H 1.19 0.03 2 589 171 53 LEU HB3 H 1.25 0.03 2 590 171 53 LEU HD1 H 0.87 0.03 2 591 171 53 LEU HD2 H 0.61 0.03 2 592 171 53 LEU HG H 1.35 0.03 1 593 171 53 LEU C C 178.99 0.20 1 594 171 53 LEU CA C 57.52 0.20 1 595 171 53 LEU CB C 42.77 0.20 1 596 171 53 LEU CD1 C 23.98 0.20 2 597 171 53 LEU CD2 C 25.27 0.20 2 598 171 53 LEU CG C 26.35 0.20 1 599 171 53 LEU N N 121.95 0.30 1 600 172 54 PHE H H 8.13 0.03 1 601 172 54 PHE HA H 5.02 0.03 1 602 172 54 PHE HB2 H 2.98 0.03 2 603 172 54 PHE HB3 H 3.69 0.03 2 604 172 54 PHE HD1 H 6.57 0.03 3 605 172 54 PHE HE1 H 6.80 0.03 3 606 172 54 PHE HZ H 6.08 0.03 1 607 172 54 PHE C C 174.43 0.20 1 608 172 54 PHE CA C 52.64 0.20 1 609 172 54 PHE CB C 37.39 0.20 1 610 172 54 PHE CD1 C 129.27 0.20 1 611 172 54 PHE CE1 C 131.02 0.20 1 612 172 54 PHE CG C 138.20 0.20 1 613 172 54 PHE CZ C 129.80 0.20 1 614 172 54 PHE N N 113.01 0.30 1 615 173 55 LYS H H 6.99 0.03 1 616 173 55 LYS HA H 4.08 0.03 1 617 173 55 LYS HB2 H 1.89 0.03 2 618 173 55 LYS HB3 H 2.09 0.03 2 619 173 55 LYS HD3 H 1.76 0.03 2 620 173 55 LYS HE3 H 3.03 0.03 2 621 173 55 LYS HG2 H 1.48 0.03 2 622 173 55 LYS HG3 H 1.52 0.03 2 623 173 55 LYS C C 178.11 0.20 1 624 173 55 LYS CA C 59.05 0.20 1 625 173 55 LYS CB C 32.54 0.20 1 626 173 55 LYS CD C 29.47 0.20 1 627 173 55 LYS CE C 41.68 0.20 1 628 173 55 LYS CG C 24.17 0.20 1 629 173 55 LYS N N 121.14 0.30 1 630 174 56 GLY H H 9.34 0.03 1 631 174 56 GLY HA2 H 3.75 0.03 2 632 174 56 GLY HA3 H 4.27 0.03 2 633 174 56 GLY C C 174.42 0.20 1 634 174 56 GLY CA C 44.69 0.20 1 635 174 56 GLY N N 113.83 0.30 1 636 175 57 HIS H H 8.59 0.03 1 637 175 57 HIS HA H 5.13 0.03 1 638 175 57 HIS HB2 H 3.00 0.03 2 639 175 57 HIS HB3 H 3.52 0.03 2 640 175 57 HIS HD2 H 7.28 0.03 1 641 175 57 HIS HE1 H 8.21 0.03 1 642 175 57 HIS CA C 52.93 0.20 1 643 175 57 HIS CB C 28.16 0.20 1 644 175 57 HIS CD2 C 120.17 0.20 1 645 175 57 HIS CE1 C 136.21 0.20 1 646 175 57 HIS N N 117.51 0.30 1 647 176 58 PRO HA H 4.33 0.03 1 648 176 58 PRO HB2 H 2.09 0.03 2 649 176 58 PRO HB3 H 2.41 0.03 2 650 176 58 PRO HD2 H 3.40 0.03 2 651 176 58 PRO HD3 H 3.83 0.03 2 652 176 58 PRO HG3 H 2.08 0.03 2 653 176 58 PRO C C 178.63 0.20 1 654 176 58 PRO CA C 65.68 0.20 1 655 176 58 PRO CB C 31.53 0.20 1 656 176 58 PRO CD C 51.07 0.20 1 657 176 58 PRO CG C 27.36 0.20 1 658 177 59 ASP H H 9.02 0.03 1 659 177 59 ASP HA H 4.41 0.03 1 660 177 59 ASP HB2 H 2.60 0.03 2 661 177 59 ASP HB3 H 2.77 0.03 2 662 177 59 ASP C C 180.04 0.20 1 663 177 59 ASP CA C 56.73 0.20 1 664 177 59 ASP CB C 38.65 0.20 1 665 177 59 ASP N N 117.21 0.30 1 666 178 60 LEU H H 7.66 0.03 1 667 178 60 LEU HA H 4.33 0.03 1 668 178 60 LEU HB2 H 1.12 0.03 2 669 178 60 LEU HB3 H 1.68 0.03 2 670 178 60 LEU HD1 H 0.23 0.03 2 671 178 60 LEU HD2 H 0.07 0.03 2 672 178 60 LEU HG H 1.50 0.03 1 673 178 60 LEU C C 181.02 0.20 1 674 178 60 LEU CA C 56.89 0.20 1 675 178 60 LEU CB C 41.55 0.20 1 676 178 60 LEU CD1 C 21.91 0.20 2 677 178 60 LEU CD2 C 26.38 0.20 2 678 178 60 LEU CG C 26.20 0.20 1 679 178 60 LEU N N 121.58 0.30 1 680 179 61 ILE H H 7.87 0.03 1 681 179 61 ILE HA H 3.72 0.03 1 682 179 61 ILE HB H 1.96 0.03 1 683 179 61 ILE HD1 H 0.99 0.03 1 684 179 61 ILE HG12 H 0.98 0.03 2 685 179 61 ILE HG13 H 2.01 0.03 2 686 179 61 ILE HG2 H 0.99 0.03 1 687 179 61 ILE C C 178.23 0.20 1 688 179 61 ILE CA C 66.65 0.20 1 689 179 61 ILE CB C 38.73 0.20 1 690 179 61 ILE CD1 C 13.65 0.20 1 691 179 61 ILE CG1 C 30.94 0.20 1 692 179 61 ILE CG2 C 17.10 0.20 1 693 179 61 ILE N N 122.80 0.30 1 694 180 62 MET H H 8.37 0.03 1 695 180 62 MET HA H 4.32 0.03 1 696 180 62 MET HB2 H 2.18 0.03 2 697 180 62 MET HB3 H 2.20 0.03 2 698 180 62 MET HG3 H 2.67 0.03 2 699 180 62 MET C C 180.19 0.20 1 700 180 62 MET CA C 58.46 0.20 1 701 180 62 MET CB C 32.28 0.20 1 702 180 62 MET CG C 32.28 0.20 1 703 180 62 MET N N 118.75 0.30 1 704 181 63 GLY H H 8.21 0.03 1 705 181 63 GLY HA3 H 4.00 0.03 2 706 181 63 GLY C C 175.17 0.20 1 707 181 63 GLY CA C 46.78 0.20 1 708 181 63 GLY N N 105.63 0.30 1 709 182 64 PHE H H 7.75 0.03 1 710 182 64 PHE HA H 3.79 0.03 1 711 182 64 PHE HB2 H 3.18 0.03 2 712 182 64 PHE HB3 H 3.65 0.03 2 713 182 64 PHE HD1 H 7.35 0.03 3 714 182 64 PHE HE1 H 7.31 0.03 3 715 182 64 PHE HZ H 6.85 0.03 1 716 182 64 PHE C C 176.26 0.20 1 717 182 64 PHE CA C 60.66 0.20 1 718 182 64 PHE CB C 38.83 0.20 1 719 182 64 PHE CD1 C 131.76 0.20 1 720 182 64 PHE CE1 C 131.10 0.20 1 721 182 64 PHE CG C 139.80 0.20 1 722 182 64 PHE CZ C 129.50 0.20 1 723 182 64 PHE N N 122.38 0.30 1 724 183 65 ASN H H 7.47 0.03 1 725 183 65 ASN HA H 4.23 0.03 1 726 183 65 ASN HB2 H 2.79 0.03 2 727 183 65 ASN HB3 H 2.88 0.03 2 728 183 65 ASN HD21 H 7.63 0.03 2 729 183 65 ASN HD22 H 6.95 0.03 2 730 183 65 ASN C C 177.08 0.20 1 731 183 65 ASN CA C 55.99 0.20 1 732 183 65 ASN CB C 38.36 0.20 1 733 183 65 ASN N N 113.56 0.30 1 734 183 65 ASN ND2 N 112.53 0.30 1 735 184 66 THR H H 7.26 0.03 1 736 184 66 THR HA H 4.06 0.03 1 737 184 66 THR HB H 4.02 0.03 1 738 184 66 THR HG2 H 0.98 0.03 1 739 184 66 THR C C 174.52 0.20 1 740 184 66 THR CA C 63.47 0.20 1 741 184 66 THR CB C 69.02 0.20 1 742 184 66 THR CG2 C 21.60 0.20 1 743 184 66 THR N N 110.74 0.30 1 744 185 67 PHE H H 7.36 0.03 1 745 185 67 PHE HA H 4.33 0.03 1 746 185 67 PHE HB2 H 2.38 0.03 2 747 185 67 PHE HB3 H 2.73 0.03 2 748 185 67 PHE HD1 H 7.12 0.03 3 749 185 67 PHE HE1 H 7.34 0.03 3 750 185 67 PHE HZ H 7.34 0.03 1 751 185 67 PHE C C 175.41 0.20 1 752 185 67 PHE CA C 58.43 0.20 1 753 185 67 PHE CB C 39.94 0.20 1 754 185 67 PHE CD1 C 132.02 0.20 1 755 185 67 PHE CE1 C 131.29 0.20 1 756 185 67 PHE CG C 139.17 0.20 1 757 185 67 PHE CZ C 129.40 0.20 1 758 185 67 PHE N N 121.31 0.30 1 759 186 68 LEU H H 7.12 0.03 1 760 186 68 LEU HA H 4.23 0.03 1 761 186 68 LEU HB2 H 1.28 0.03 2 762 186 68 LEU HB3 H 1.38 0.03 2 763 186 68 LEU HD1 H 0.70 0.03 2 764 186 68 LEU HD2 H 0.64 0.03 2 765 186 68 LEU HG H 1.28 0.03 1 766 186 68 LEU CA C 52.85 0.20 1 767 186 68 LEU CB C 41.56 0.20 1 768 186 68 LEU CD1 C 25.50 0.20 2 769 186 68 LEU CD2 C 23.94 0.20 2 770 186 68 LEU CG C 26.47 0.20 1 771 186 68 LEU N N 120.39 0.30 1 772 187 69 PRO HA H 4.62 0.03 1 773 187 69 PRO HB2 H 1.90 0.03 2 774 187 69 PRO HB3 H 2.31 0.03 2 775 187 69 PRO HD2 H 3.53 0.03 2 776 187 69 PRO HD3 H 3.67 0.03 2 777 187 69 PRO HG2 H 1.98 0.03 2 778 187 69 PRO HG3 H 2.07 0.03 2 779 187 69 PRO CA C 61.52 0.20 1 780 187 69 PRO CB C 31.00 0.20 1 781 187 69 PRO CD C 50.20 0.20 1 782 187 69 PRO CG C 27.59 0.20 1 783 188 70 PRO HA H 4.42 0.03 1 784 188 70 PRO HB2 H 2.24 0.03 2 785 188 70 PRO HB3 H 2.26 0.03 2 786 188 70 PRO HD2 H 3.65 0.03 2 787 188 70 PRO HD3 H 3.77 0.03 2 788 188 70 PRO HG2 H 1.98 0.03 2 789 188 70 PRO HG3 H 2.00 0.03 2 790 188 70 PRO C C 176.78 0.20 1 791 188 70 PRO CA C 63.15 0.20 1 792 188 70 PRO CB C 32.08 0.20 1 793 188 70 PRO CD C 50.29 0.20 1 794 188 70 PRO CG C 27.26 0.20 1 795 189 71 GLY H H 7.98 0.03 1 796 189 71 GLY HA2 H 3.70 0.03 2 797 189 71 GLY HA3 H 3.76 0.03 2 798 189 71 GLY CA C 46.23 0.20 1 799 189 71 GLY N N 115.14 0.30 1 stop_ save_