data_15570 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE MSIN3A PAH1-SAP25 SID COMPLEX ; _BMRB_accession_number 15570 _BMRB_flat_file_name bmr15570.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 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 655 "13C chemical shifts" 548 "15N chemical shifts" 127 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-Sap25 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PAH1 $PAIRED_AMPHIPATHIC_HELIX_PROTEIN_SIN3A Sap25 $Sap25 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 15569 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_ save_Sap25 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sap25 _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 61 _Mol_residue_sequence ; SSTWLSEAEMIALAGLLQMS QGEQTPNCVASSLPSTSCPD PVSVSEDPGPSGDQSCSGTD T ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 127 SER 2 128 SER 3 129 THR 4 130 TRP 5 131 LEU 6 132 SER 7 133 GLU 8 134 ALA 9 135 GLU 10 136 MET 11 137 ILE 12 138 ALA 13 139 LEU 14 140 ALA 15 141 GLY 16 142 LEU 17 143 LEU 18 144 GLN 19 145 MET 20 146 SER 21 147 GLN 22 148 GLY 23 149 GLU 24 150 GLN 25 151 THR 26 152 PRO 27 153 ASN 28 154 CYS 29 155 VAL 30 156 ALA 31 157 SER 32 158 SER 33 159 LEU 34 160 PRO 35 161 SER 36 162 THR 37 163 SER 38 164 CYS 39 165 PRO 40 166 ASP 41 167 PRO 42 168 VAL 43 169 SER 44 170 VAL 45 171 SER 46 172 GLU 47 173 ASP 48 174 PRO 49 175 GLY 50 176 PRO 51 177 SER 52 178 GLY 53 179 ASP 54 180 GLN 55 181 SER 56 182 CYS 57 183 SER 58 184 GLY 59 185 THR 60 186 ASP 61 187 THR 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 2RMS "Solution Structure Of The Msin3a Pah1-Sap25 Sid Complex" 100.00 61 100.00 100.00 6.38e-33 EMBL CAK36853 "mSin3A-binding protein [Mus musculus]" 100.00 186 100.00 100.00 1.27e-31 GB AAI52783 "Sin3A-binding protein, SAP25, partial [synthetic construct]" 100.00 186 100.00 100.00 1.27e-31 GB AAI56602 "Sin3A-binding protein, SAP25 [synthetic construct]" 100.00 186 100.00 100.00 1.27e-31 REF NP_001075431 "histone deacetylase complex subunit SAP25 [Mus musculus]" 100.00 261 100.00 100.00 2.29e-31 SP Q1EHW4 "RecName: Full=Histone deacetylase complex subunit SAP25; AltName: Full=25 kDa Sin3-associated polypeptide; AltName: Full=Sin3 c" 100.00 186 100.00 100.00 1.27e-31 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 $Sap25 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 $Sap25 '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 Sap25 and unlabeled 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]' $Sap25 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 303 . 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_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 C C 177.54 0.20 1 2 119 1 GLN CA C 59.72 0.20 1 3 119 1 GLN CB C 28.31 0.20 1 4 119 1 GLN CG C 32.30 0.20 1 5 119 1 GLN NE2 N 111.89 0.30 1 6 119 1 GLN HA H 4.38 0.03 1 7 119 1 GLN HB3 H 2.55 0.03 2 8 119 1 GLN HB2 H 2.10 0.03 2 9 119 1 GLN HG3 H 2.42 0.03 2 10 119 1 GLN HE21 H 7.62 0.03 2 11 119 1 GLN HE22 H 6.92 0.03 2 12 120 2 ARG N N 120.94 0.30 1 13 120 2 ARG C C 176.32 0.20 1 14 120 2 ARG CA C 57.14 0.20 1 15 120 2 ARG CB C 31.36 0.20 1 16 120 2 ARG CG C 27.61 0.20 1 17 120 2 ARG CD C 43.55 0.20 1 18 120 2 ARG H H 8.36 0.03 1 19 120 2 ARG HA H 4.28 0.03 1 20 120 2 ARG HB3 H 1.81 0.03 2 21 120 2 ARG HG3 H 1.62 0.03 2 22 120 2 ARG HD3 H 3.22 0.03 2 23 121 3 LEU N N 122.05 0.30 1 24 121 3 LEU C C 175.95 0.20 1 25 121 3 LEU CA C 54.72 0.20 1 26 121 3 LEU CB C 43.31 0.20 1 27 121 3 LEU CG C 27.37 0.20 1 28 121 3 LEU CD1 C 25.96 0.20 2 29 121 3 LEU CD2 C 23.56 0.20 2 30 121 3 LEU H H 8.29 0.03 1 31 121 3 LEU HA H 4.46 0.03 1 32 121 3 LEU HB3 H 1.70 0.03 2 33 121 3 LEU HB2 H 1.51 0.03 2 34 121 3 LEU HG H 1.59 0.03 1 35 121 3 LEU HD1 H 0.76 0.03 2 36 121 3 LEU HD2 H 0.76 0.03 2 37 122 4 LYS N N 121.86 0.30 1 38 122 4 LYS C C 178.45 0.20 1 39 122 4 LYS CA C 56.08 0.20 1 40 122 4 LYS CB C 33.95 0.20 1 41 122 4 LYS CG C 25.01 0.20 1 42 122 4 LYS CD C 29.02 0.20 1 43 122 4 LYS CE C 42.11 0.20 1 44 122 4 LYS H H 8.98 0.03 1 45 122 4 LYS HA H 4.61 0.03 1 46 122 4 LYS HB3 H 2.15 0.03 2 47 122 4 LYS HB2 H 1.79 0.03 2 48 122 4 LYS HG3 H 1.57 0.03 2 49 122 4 LYS HG2 H 1.49 0.03 2 50 122 4 LYS HD3 H 1.74 0.03 2 51 122 4 LYS HE3 H 3.00 0.03 2 52 123 5 VAL N N 121.60 0.30 1 53 123 5 VAL C C 177.43 0.20 1 54 123 5 VAL CA C 66.94 0.20 1 55 123 5 VAL CB C 31.56 0.20 1 56 123 5 VAL CG1 C 23.22 0.20 2 57 123 5 VAL CG2 C 21.05 0.20 2 58 123 5 VAL H H 8.70 0.03 1 59 123 5 VAL HA H 3.75 0.03 1 60 123 5 VAL HB H 2.11 0.03 1 61 123 5 VAL HG1 H 1.07 0.03 2 62 123 5 VAL HG2 H 0.98 0.03 2 63 124 6 GLU N N 118.66 0.30 1 64 124 6 GLU C C 179.15 0.20 1 65 124 6 GLU CA C 60.54 0.20 1 66 124 6 GLU CB C 29.25 0.20 1 67 124 6 GLU CG C 37.22 0.20 1 68 124 6 GLU H H 9.21 0.03 1 69 124 6 GLU HA H 4.04 0.03 1 70 124 6 GLU HB3 H 2.08 0.03 2 71 124 6 GLU HG3 H 2.42 0.03 2 72 124 6 GLU HG2 H 2.29 0.03 2 73 125 7 ASP N N 119.18 0.30 1 74 125 7 ASP C C 179.31 0.20 1 75 125 7 ASP CA C 57.58 0.20 1 76 125 7 ASP CB C 41.44 0.20 1 77 125 7 ASP H H 7.79 0.03 1 78 125 7 ASP HA H 4.58 0.03 1 79 125 7 ASP HB3 H 3.01 0.03 2 80 125 7 ASP HB2 H 2.72 0.03 2 81 126 8 ALA N N 123.63 0.30 1 82 126 8 ALA C C 178.36 0.20 1 83 126 8 ALA CA C 55.38 0.20 1 84 126 8 ALA CB C 19.17 0.20 1 85 126 8 ALA H H 7.90 0.03 1 86 126 8 ALA HA H 4.39 0.03 1 87 126 8 ALA HB H 1.49 0.03 1 88 127 9 LEU N N 119.01 0.30 1 89 127 9 LEU C C 178.97 0.20 1 90 127 9 LEU CA C 58.19 0.20 1 91 127 9 LEU CB C 42.12 0.20 1 92 127 9 LEU CG C 27.21 0.20 1 93 127 9 LEU CD1 C 25.46 0.20 2 94 127 9 LEU CD2 C 22.61 0.20 2 95 127 9 LEU H H 8.65 0.03 1 96 127 9 LEU HA H 4.06 0.03 1 97 127 9 LEU HB3 H 1.74 0.03 2 98 127 9 LEU HG H 1.76 0.03 1 99 127 9 LEU HD1 H 0.93 0.03 2 100 127 9 LEU HD2 H 0.85 0.03 2 101 128 10 SER N N 113.00 0.30 1 102 128 10 SER C C 177.15 0.20 1 103 128 10 SER CA C 61.39 0.20 1 104 128 10 SER CB C 62.76 0.20 1 105 128 10 SER H H 8.11 0.03 1 106 128 10 SER HA H 4.35 0.03 1 107 128 10 SER HB3 H 4.17 0.03 2 108 128 10 SER HB2 H 4.09 0.03 2 109 129 11 TYR N N 122.20 0.30 1 110 129 11 TYR C C 177.05 0.20 1 111 129 11 TYR CA C 62.65 0.20 1 112 129 11 TYR CB C 39.33 0.20 1 113 129 11 TYR CD1 C 132.75 0.20 1 114 129 11 TYR CE1 C 117.49 0.20 1 115 129 11 TYR H H 7.92 0.03 1 116 129 11 TYR HA H 4.35 0.03 1 117 129 11 TYR HB3 H 3.47 0.03 2 118 129 11 TYR HB2 H 3.11 0.03 2 119 129 11 TYR HD1 H 7.05 0.03 3 120 129 11 TYR HE1 H 6.75 0.03 3 121 130 12 LEU N N 119.15 0.30 1 122 130 12 LEU C C 178.91 0.20 1 123 130 12 LEU CA C 59.08 0.20 1 124 130 12 LEU CB C 41.67 0.20 1 125 130 12 LEU CG C 27.90 0.20 1 126 130 12 LEU CD1 C 25.62 0.20 2 127 130 12 LEU CD2 C 24.93 0.20 2 128 130 12 LEU H H 8.36 0.03 1 129 130 12 LEU HA H 3.90 0.03 1 130 130 12 LEU HB3 H 2.05 0.03 2 131 130 12 LEU HB2 H 1.92 0.03 2 132 130 12 LEU HG H 2.12 0.03 1 133 130 12 LEU HD1 H 1.05 0.03 2 134 130 12 LEU HD2 H 1.05 0.03 2 135 131 13 ASP N N 116.39 0.30 1 136 131 13 ASP C C 178.70 0.20 1 137 131 13 ASP CA C 57.51 0.20 1 138 131 13 ASP CB C 40.73 0.20 1 139 131 13 ASP H H 8.12 0.03 1 140 131 13 ASP HA H 4.35 0.03 1 141 131 13 ASP HB3 H 2.85 0.03 2 142 131 13 ASP HB2 H 2.61 0.03 2 143 132 14 GLN N N 120.05 0.30 1 144 132 14 GLN C C 178.82 0.20 1 145 132 14 GLN CA C 59.02 0.20 1 146 132 14 GLN CB C 28.31 0.20 1 147 132 14 GLN CG C 34.03 0.20 1 148 132 14 GLN NE2 N 110.59 0.30 1 149 132 14 GLN H H 7.81 0.03 1 150 132 14 GLN HA H 3.89 0.03 1 151 132 14 GLN HB3 H 2.12 0.03 2 152 132 14 GLN HB2 H 1.94 0.03 2 153 132 14 GLN HG3 H 2.43 0.03 2 154 132 14 GLN HG2 H 2.32 0.03 2 155 132 14 GLN HE21 H 7.29 0.03 2 156 132 14 GLN HE22 H 6.77 0.03 2 157 133 15 VAL N N 120.25 0.30 1 158 133 15 VAL C C 177.49 0.20 1 159 133 15 VAL CA C 66.87 0.20 1 160 133 15 VAL CB C 32.06 0.20 1 161 133 15 VAL CG1 C 23.39 0.20 2 162 133 15 VAL CG2 C 22.69 0.20 2 163 133 15 VAL H H 7.94 0.03 1 164 133 15 VAL HA H 3.08 0.03 1 165 133 15 VAL HB H 2.12 0.03 1 166 133 15 VAL HG1 H 0.93 0.03 2 167 133 15 VAL HG2 H 0.21 0.03 2 168 134 16 LYS N N 119.25 0.30 1 169 134 16 LYS C C 180.02 0.20 1 170 134 16 LYS CA C 59.83 0.20 1 171 134 16 LYS CB C 32.53 0.20 1 172 134 16 LYS CG C 24.89 0.20 1 173 134 16 LYS CD C 29.72 0.20 1 174 134 16 LYS CE C 42.32 0.20 1 175 134 16 LYS H H 8.19 0.03 1 176 134 16 LYS HA H 3.09 0.03 1 177 134 16 LYS HB3 H 1.55 0.03 2 178 134 16 LYS HB2 H 1.35 0.03 2 179 134 16 LYS HG3 H 0.89 0.03 2 180 134 16 LYS HG2 H 0.54 0.03 2 181 134 16 LYS HD3 H 1.48 0.03 2 182 134 16 LYS HE3 H 2.79 0.03 2 183 135 17 LEU N N 117.98 0.30 1 184 135 17 LEU C C 180.76 0.20 1 185 135 17 LEU CA C 57.48 0.20 1 186 135 17 LEU CB C 42.38 0.20 1 187 135 17 LEU CG C 27.37 0.20 1 188 135 17 LEU CD1 C 24.56 0.20 2 189 135 17 LEU CD2 C 24.56 0.20 2 190 135 17 LEU H H 8.01 0.03 1 191 135 17 LEU HA H 3.97 0.03 1 192 135 17 LEU HB3 H 1.66 0.03 2 193 135 17 LEU HB2 H 1.56 0.03 2 194 135 17 LEU HG H 1.54 0.03 1 195 135 17 LEU HD1 H 0.80 0.03 2 196 135 17 LEU HD2 H 0.80 0.03 2 197 136 18 GLN N N 118.76 0.30 1 198 136 18 GLN C C 177.57 0.20 1 199 136 18 GLN CA C 58.49 0.20 1 200 136 18 GLN CB C 28.08 0.20 1 201 136 18 GLN CG C 34.17 0.20 1 202 136 18 GLN NE2 N 113.75 0.30 1 203 136 18 GLN H H 7.96 0.03 1 204 136 18 GLN HA H 3.81 0.03 1 205 136 18 GLN HB3 H 1.60 0.03 2 206 136 18 GLN HB2 H 1.39 0.03 2 207 136 18 GLN HG3 H 1.89 0.03 2 208 136 18 GLN HG2 H 1.83 0.03 2 209 136 18 GLN HE21 H 7.30 0.03 2 210 136 18 GLN HE22 H 7.10 0.03 2 211 137 19 PHE N N 114.27 0.30 1 212 137 19 PHE C C 177.76 0.20 1 213 137 19 PHE CA C 58.09 0.20 1 214 137 19 PHE CB C 37.35 0.20 1 215 137 19 PHE CD1 C 131.74 0.20 1 216 137 19 PHE CE1 C 131.48 0.20 1 217 137 19 PHE CZ C 127.48 0.20 1 218 137 19 PHE H H 7.46 0.03 1 219 137 19 PHE HA H 4.88 0.03 1 220 137 19 PHE HB3 H 3.83 0.03 2 221 137 19 PHE HB2 H 2.38 0.03 2 222 137 19 PHE HD1 H 7.23 0.03 3 223 137 19 PHE HE1 H 6.75 0.03 3 224 137 19 PHE HZ H 6.37 0.03 1 225 138 20 GLY N N 111.14 0.30 1 226 138 20 GLY C C 175.47 0.20 1 227 138 20 GLY CA C 48.23 0.20 1 228 138 20 GLY H H 7.60 0.03 1 229 138 20 GLY HA3 H 3.99 0.03 2 230 138 20 GLY HA2 H 3.79 0.03 2 231 139 21 SER N N 111.80 0.30 1 232 139 21 SER C C 174.21 0.20 1 233 139 21 SER CA C 58.54 0.20 1 234 139 21 SER CB C 63.70 0.20 1 235 139 21 SER H H 8.39 0.03 1 236 139 21 SER HA H 4.65 0.03 1 237 139 21 SER HB3 H 4.08 0.03 2 238 139 21 SER HB2 H 3.98 0.03 2 239 140 22 GLN N N 121.20 0.30 1 240 140 22 GLN C C 172.93 0.20 1 241 140 22 GLN CA C 54.32 0.20 1 242 140 22 GLN CB C 31.12 0.20 1 243 140 22 GLN CG C 34.43 0.20 1 244 140 22 GLN NE2 N 110.19 0.30 1 245 140 22 GLN H H 7.74 0.03 1 246 140 22 GLN HA H 4.95 0.03 1 247 140 22 GLN HB3 H 2.37 0.03 2 248 140 22 GLN HB2 H 2.14 0.03 2 249 140 22 GLN HG3 H 2.45 0.03 2 250 140 22 GLN HE21 H 7.61 0.03 2 251 140 22 GLN HE22 H 6.96 0.03 2 252 141 23 PRO C C 178.07 0.20 1 253 141 23 PRO CA C 65.33 0.20 1 254 141 23 PRO CB C 31.83 0.20 1 255 141 23 PRO CG C 27.61 0.20 1 256 141 23 PRO CD C 50.81 0.20 1 257 141 23 PRO HA H 4.40 0.03 1 258 141 23 PRO HB3 H 2.43 0.03 2 259 141 23 PRO HB2 H 2.10 0.03 2 260 141 23 PRO HG3 H 2.09 0.03 2 261 141 23 PRO HD3 H 3.77 0.03 2 262 141 23 PRO HD2 H 3.43 0.03 2 263 142 24 GLN N N 118.77 0.30 1 264 142 24 GLN C C 177.63 0.20 1 265 142 24 GLN CA C 58.55 0.20 1 266 142 24 GLN CB C 28.08 0.20 1 267 142 24 GLN CG C 33.70 0.20 1 268 142 24 GLN NE2 N 115.27 0.30 1 269 142 24 GLN H H 8.92 0.03 1 270 142 24 GLN HA H 4.06 0.03 1 271 142 24 GLN HB3 H 2.20 0.03 2 272 142 24 GLN HB2 H 2.00 0.03 2 273 142 24 GLN HG3 H 2.50 0.03 2 274 142 24 GLN HG2 H 2.42 0.03 2 275 142 24 GLN HE21 H 7.95 0.03 2 276 142 24 GLN HE22 H 7.00 0.03 2 277 143 25 VAL N N 118.76 0.30 1 278 143 25 VAL C C 178.09 0.20 1 279 143 25 VAL CA C 66.28 0.20 1 280 143 25 VAL CB C 32.06 0.20 1 281 143 25 VAL CG1 C 22.44 0.20 2 282 143 25 VAL CG2 C 19.87 0.20 2 283 143 25 VAL H H 7.86 0.03 1 284 143 25 VAL HA H 3.59 0.03 1 285 143 25 VAL HB H 1.54 0.03 1 286 143 25 VAL HG1 H 0.91 0.03 2 287 143 25 VAL HG2 H -0.07 0.03 2 288 144 26 TYR N N 117.70 0.30 1 289 144 26 TYR C C 177.07 0.20 1 290 144 26 TYR CA C 61.36 0.20 1 291 144 26 TYR CB C 38.64 0.20 1 292 144 26 TYR CD1 C 132.49 0.20 1 293 144 26 TYR CE1 C 118.50 0.20 1 294 144 26 TYR H H 6.82 0.03 1 295 144 26 TYR HA H 4.16 0.03 1 296 144 26 TYR HB3 H 3.16 0.03 2 297 144 26 TYR HB2 H 2.98 0.03 2 298 144 26 TYR HD1 H 7.02 0.03 3 299 144 26 TYR HE1 H 6.86 0.03 3 300 145 27 ASN N N 116.36 0.30 1 301 145 27 ASN C C 177.69 0.20 1 302 145 27 ASN CA C 56.67 0.20 1 303 145 27 ASN CB C 38.16 0.20 1 304 145 27 ASN ND2 N 111.15 0.30 1 305 145 27 ASN H H 8.02 0.03 1 306 145 27 ASN HA H 4.08 0.03 1 307 145 27 ASN HB3 H 2.88 0.03 2 308 145 27 ASN HB2 H 2.75 0.03 2 309 145 27 ASN HD21 H 7.35 0.03 2 310 145 27 ASN HD22 H 6.87 0.03 2 311 146 28 ASP N N 121.62 0.30 1 312 146 28 ASP C C 179.09 0.20 1 313 146 28 ASP CA C 57.60 0.20 1 314 146 28 ASP CB C 40.03 0.20 1 315 146 28 ASP H H 8.62 0.03 1 316 146 28 ASP HA H 4.35 0.03 1 317 146 28 ASP HB3 H 2.98 0.03 2 318 146 28 ASP HB2 H 2.49 0.03 2 319 147 29 PHE N N 122.69 0.30 1 320 147 29 PHE C C 176.43 0.20 1 321 147 29 PHE CA C 61.36 0.20 1 322 147 29 PHE CB C 38.17 0.20 1 323 147 29 PHE CD1 C 131.97 0.20 1 324 147 29 PHE CE1 C 130.54 0.20 1 325 147 29 PHE CZ C 129.40 0.20 1 326 147 29 PHE H H 8.17 0.03 1 327 147 29 PHE HA H 3.93 0.03 1 328 147 29 PHE HB3 H 3.41 0.03 2 329 147 29 PHE HB2 H 3.11 0.03 2 330 147 29 PHE HD1 H 6.86 0.03 3 331 147 29 PHE HE1 H 7.24 0.03 3 332 147 29 PHE HZ H 7.45 0.03 1 333 148 30 LEU N N 117.81 0.30 1 334 148 30 LEU C C 180.88 0.20 1 335 148 30 LEU CA C 58.08 0.20 1 336 148 30 LEU CB C 40.02 0.20 1 337 148 30 LEU CG C 25.69 0.20 1 338 148 30 LEU CD1 C 26.73 0.20 2 339 148 30 LEU CD2 C 22.69 0.20 2 340 148 30 LEU H H 8.10 0.03 1 341 148 30 LEU HA H 3.38 0.03 1 342 148 30 LEU HB3 H 1.93 0.03 2 343 148 30 LEU HB2 H 1.06 0.03 2 344 148 30 LEU HG H 1.52 0.03 1 345 148 30 LEU HD1 H 0.55 0.03 2 346 148 30 LEU HD2 H 0.52 0.03 2 347 149 31 ASP N N 120.60 0.30 1 348 149 31 ASP C C 178.69 0.20 1 349 149 31 ASP CA C 57.84 0.20 1 350 149 31 ASP CB C 40.25 0.20 1 351 149 31 ASP H H 8.14 0.03 1 352 149 31 ASP HA H 4.37 0.03 1 353 149 31 ASP HB3 H 2.78 0.03 2 354 149 31 ASP HB2 H 2.67 0.03 2 355 150 32 ILE N N 121.71 0.30 1 356 150 32 ILE C C 177.98 0.20 1 357 150 32 ILE CA C 65.34 0.20 1 358 150 32 ILE CB C 38.15 0.20 1 359 150 32 ILE CG1 C 29.38 0.20 1 360 150 32 ILE CG2 C 18.94 0.20 1 361 150 32 ILE CD1 C 15.47 0.20 1 362 150 32 ILE H H 7.83 0.03 1 363 150 32 ILE HA H 3.56 0.03 1 364 150 32 ILE HB H 1.73 0.03 1 365 150 32 ILE HG12 H 0.72 0.03 2 366 150 32 ILE HG13 H 1.81 0.03 2 367 150 32 ILE HG2 H 0.73 0.03 1 368 150 32 ILE HD1 H 0.64 0.03 1 369 151 33 MET N N 114.71 0.30 1 370 151 33 MET C C 179.43 0.20 1 371 151 33 MET CA C 55.50 0.20 1 372 151 33 MET CB C 29.26 0.20 1 373 151 33 MET CG C 30.89 0.20 1 374 151 33 MET CE C 15.13 0.20 1 375 151 33 MET H H 7.26 0.03 1 376 151 33 MET HA H 4.53 0.03 1 377 151 33 MET HB3 H 1.87 0.03 2 378 151 33 MET HG3 H 2.15 0.03 2 379 151 33 MET HG2 H 1.70 0.03 2 380 151 33 MET HE H 1.82 0.03 1 381 152 34 LYS N N 122.82 0.30 1 382 152 34 LYS C C 179.46 0.20 1 383 152 34 LYS CA C 59.95 0.20 1 384 152 34 LYS CB C 31.58 0.20 1 385 152 34 LYS CG C 24.81 0.20 1 386 152 34 LYS CD C 29.71 0.20 1 387 152 34 LYS CE C 41.96 0.20 1 388 152 34 LYS H H 8.03 0.03 1 389 152 34 LYS HA H 3.88 0.03 1 390 152 34 LYS HB3 H 2.08 0.03 2 391 152 34 LYS HG3 H 1.46 0.03 2 392 152 34 LYS HG2 H 1.27 0.03 2 393 152 34 LYS HD3 H 1.67 0.03 2 394 152 34 LYS HE3 H 2.86 0.03 2 395 153 35 GLU N N 121.74 0.30 1 396 153 35 GLU C C 179.07 0.20 1 397 153 35 GLU CA C 59.50 0.20 1 398 153 35 GLU CB C 29.02 0.20 1 399 153 35 GLU CG C 36.97 0.20 1 400 153 35 GLU H H 8.19 0.03 1 401 153 35 GLU HA H 4.01 0.03 1 402 153 35 GLU HB3 H 2.26 0.03 2 403 153 35 GLU HB2 H 1.97 0.03 2 404 153 35 GLU HG3 H 2.45 0.03 2 405 153 35 GLU HG2 H 2.20 0.03 2 406 154 36 PHE N N 120.60 0.30 1 407 154 36 PHE C C 179.31 0.20 1 408 154 36 PHE CA C 61.12 0.20 1 409 154 36 PHE CB C 39.33 0.20 1 410 154 36 PHE CD1 C 132.31 0.20 1 411 154 36 PHE CE1 C 131.46 0.20 1 412 154 36 PHE CZ C 131.59 0.20 1 413 154 36 PHE H H 8.28 0.03 1 414 154 36 PHE HA H 4.34 0.03 1 415 154 36 PHE HB3 H 3.17 0.03 2 416 154 36 PHE HB2 H 2.97 0.03 2 417 154 36 PHE HD1 H 7.02 0.03 3 418 154 36 PHE HE1 H 6.98 0.03 3 419 154 36 PHE HZ H 7.33 0.03 1 420 155 37 LYS N N 123.02 0.30 1 421 155 37 LYS C C 178.02 0.20 1 422 155 37 LYS CA C 58.54 0.20 1 423 155 37 LYS CB C 32.09 0.20 1 424 155 37 LYS CG C 25.17 0.20 1 425 155 37 LYS CD C 28.78 0.20 1 426 155 37 LYS CE C 42.33 0.20 1 427 155 37 LYS H H 8.63 0.03 1 428 155 37 LYS HA H 3.86 0.03 1 429 155 37 LYS HB3 H 2.03 0.03 2 430 155 37 LYS HB2 H 1.83 0.03 2 431 155 37 LYS HG3 H 1.53 0.03 2 432 155 37 LYS HD3 H 1.77 0.03 2 433 155 37 LYS HD2 H 1.54 0.03 2 434 155 37 LYS HE3 H 2.95 0.03 2 435 156 38 SER N N 111.94 0.30 1 436 156 38 SER C C 173.44 0.20 1 437 156 38 SER CA C 58.95 0.20 1 438 156 38 SER CB C 63.71 0.20 1 439 156 38 SER H H 7.98 0.03 1 440 156 38 SER HA H 4.37 0.03 1 441 156 38 SER HB3 H 4.06 0.03 2 442 156 38 SER HB2 H 3.94 0.03 2 443 157 39 GLN N N 114.44 0.30 1 444 157 39 GLN C C 175.73 0.20 1 445 157 39 GLN CA C 57.36 0.20 1 446 157 39 GLN CB C 25.96 0.20 1 447 157 39 GLN CG C 34.87 0.20 1 448 157 39 GLN NE2 N 111.88 0.30 1 449 157 39 GLN H H 7.94 0.03 1 450 157 39 GLN HA H 4.07 0.03 1 451 157 39 GLN HB3 H 2.34 0.03 2 452 157 39 GLN HB2 H 2.26 0.03 2 453 157 39 GLN HG3 H 2.18 0.03 2 454 157 39 GLN HG2 H 2.11 0.03 2 455 157 39 GLN HE21 H 7.39 0.03 2 456 157 39 GLN HE22 H 6.83 0.03 2 457 158 40 SER N N 114.18 0.30 1 458 158 40 SER C C 174.00 0.20 1 459 158 40 SER CA C 59.96 0.20 1 460 158 40 SER CB C 63.46 0.20 1 461 158 40 SER H H 8.42 0.03 1 462 158 40 SER HA H 4.39 0.03 1 463 158 40 SER HB3 H 3.86 0.03 2 464 159 41 ILE N N 114.36 0.30 1 465 159 41 ILE C C 172.94 0.20 1 466 159 41 ILE CA C 59.72 0.20 1 467 159 41 ILE CB C 41.91 0.20 1 468 159 41 ILE CG1 C 25.12 0.20 1 469 159 41 ILE CG2 C 17.39 0.20 1 470 159 41 ILE CD1 C 14.88 0.20 1 471 159 41 ILE H H 7.18 0.03 1 472 159 41 ILE HA H 4.58 0.03 1 473 159 41 ILE HB H 1.83 0.03 1 474 159 41 ILE HG13 H 1.51 0.03 2 475 159 41 ILE HG12 H 1.03 0.03 2 476 159 41 ILE HG2 H 0.83 0.03 1 477 159 41 ILE HD1 H 0.80 0.03 1 478 160 42 ASP N N 121.75 0.30 1 479 160 42 ASP C C 176.08 0.20 1 480 160 42 ASP CA C 51.75 0.20 1 481 160 42 ASP CB C 42.37 0.20 1 482 160 42 ASP H H 7.82 0.03 1 483 160 42 ASP HA H 4.99 0.03 1 484 160 42 ASP HB3 H 3.29 0.03 2 485 160 42 ASP HB2 H 2.82 0.03 2 486 161 43 THR N N 115.12 0.30 1 487 161 43 THR C C 174.04 0.20 1 488 161 43 THR CA C 69.34 0.20 1 489 161 43 THR CB C 66.28 0.20 1 490 161 43 THR CG2 C 23.09 0.20 1 491 161 43 THR H H 8.85 0.03 1 492 161 43 THR HA H 4.07 0.03 1 493 161 43 THR HB H 4.47 0.03 1 494 161 43 THR HG2 H 1.26 0.03 1 495 162 44 PRO C C 179.66 0.20 1 496 162 44 PRO CA C 66.27 0.20 1 497 162 44 PRO CB C 30.88 0.20 1 498 162 44 PRO CG C 28.53 0.20 1 499 162 44 PRO CD C 49.75 0.20 1 500 162 44 PRO HA H 4.24 0.03 1 501 162 44 PRO HB3 H 2.31 0.03 2 502 162 44 PRO HB2 H 1.88 0.03 2 503 162 44 PRO HG3 H 2.17 0.03 2 504 162 44 PRO HG2 H 1.94 0.03 2 505 162 44 PRO HD3 H 3.82 0.03 2 506 162 44 PRO HD2 H 3.74 0.03 2 507 163 45 GLY N N 107.73 0.30 1 508 163 45 GLY C C 176.41 0.20 1 509 163 45 GLY CA C 47.30 0.20 1 510 163 45 GLY H H 8.06 0.03 1 511 163 45 GLY HA3 H 3.92 0.03 2 512 163 45 GLY HA2 H 3.78 0.03 2 513 164 46 VAL N N 125.08 0.30 1 514 164 46 VAL C C 177.33 0.20 1 515 164 46 VAL CA C 66.74 0.20 1 516 164 46 VAL CB C 31.60 0.20 1 517 164 46 VAL CG1 C 22.68 0.20 2 518 164 46 VAL CG2 C 24.34 0.20 2 519 164 46 VAL H H 8.65 0.03 1 520 164 46 VAL HA H 3.48 0.03 1 521 164 46 VAL HB H 2.25 0.03 1 522 164 46 VAL HG1 H 0.89 0.03 2 523 164 46 VAL HG2 H 0.86 0.03 2 524 165 47 ILE N N 120.01 0.30 1 525 165 47 ILE C C 179.54 0.20 1 526 165 47 ILE CA C 65.81 0.20 1 527 165 47 ILE CB C 38.38 0.20 1 528 165 47 ILE CG1 C 29.28 0.20 1 529 165 47 ILE CG2 C 17.38 0.20 1 530 165 47 ILE CD1 C 14.34 0.20 1 531 165 47 ILE H H 8.33 0.03 1 532 165 47 ILE HA H 3.47 0.03 1 533 165 47 ILE HB H 1.93 0.03 1 534 165 47 ILE HG13 H 1.86 0.03 2 535 165 47 ILE HG12 H 1.19 0.03 2 536 165 47 ILE HG2 H 0.97 0.03 1 537 165 47 ILE HD1 H 0.92 0.03 1 538 166 48 SER N N 114.86 0.30 1 539 166 48 SER C C 177.46 0.20 1 540 166 48 SER CA C 61.58 0.20 1 541 166 48 SER CB C 62.77 0.20 1 542 166 48 SER H H 8.12 0.03 1 543 166 48 SER HA H 4.19 0.03 1 544 166 48 SER HB3 H 3.98 0.03 2 545 167 49 ARG N N 120.43 0.30 1 546 167 49 ARG C C 179.80 0.20 1 547 167 49 ARG CA C 59.01 0.20 1 548 167 49 ARG CB C 30.18 0.20 1 549 167 49 ARG CG C 27.61 0.20 1 550 167 49 ARG CD C 42.85 0.20 1 551 167 49 ARG H H 7.90 0.03 1 552 167 49 ARG HA H 4.02 0.03 1 553 167 49 ARG HB3 H 1.76 0.03 2 554 167 49 ARG HB2 H 1.71 0.03 2 555 167 49 ARG HG3 H 1.76 0.03 2 556 167 49 ARG HG2 H 1.65 0.03 2 557 167 49 ARG HD3 H 3.06 0.03 2 558 168 50 VAL N N 121.61 0.30 1 559 168 50 VAL C C 176.80 0.20 1 560 168 50 VAL CA C 66.99 0.20 1 561 168 50 VAL CB C 31.36 0.20 1 562 168 50 VAL CG1 C 23.85 0.20 2 563 168 50 VAL CG2 C 21.04 0.20 2 564 168 50 VAL H H 8.89 0.03 1 565 168 50 VAL HA H 2.94 0.03 1 566 168 50 VAL HB H 1.50 0.03 1 567 168 50 VAL HG1 H 0.41 0.03 2 568 168 50 VAL HG2 H 0.09 0.03 2 569 169 51 SER N N 114.40 0.30 1 570 169 51 SER C C 175.90 0.20 1 571 169 51 SER CA C 62.53 0.20 1 572 169 51 SER CB C 63.79 0.20 1 573 169 51 SER H H 8.03 0.03 1 574 169 51 SER HA H 3.98 0.03 1 575 169 51 SER HB3 H 4.07 0.03 2 576 169 51 SER HB2 H 3.95 0.03 2 577 170 52 GLN N N 117.81 0.30 1 578 170 52 GLN C C 178.33 0.20 1 579 170 52 GLN CA C 58.03 0.20 1 580 170 52 GLN CB C 29.01 0.20 1 581 170 52 GLN CG C 33.94 0.20 1 582 170 52 GLN NE2 N 111.31 0.30 1 583 170 52 GLN H H 7.17 0.03 1 584 170 52 GLN HA H 4.18 0.03 1 585 170 52 GLN HB3 H 2.08 0.03 2 586 170 52 GLN HG3 H 2.46 0.03 2 587 170 52 GLN HG2 H 2.40 0.03 2 588 170 52 GLN HE21 H 7.37 0.03 2 589 170 52 GLN HE22 H 6.64 0.03 2 590 171 53 LEU N N 121.70 0.30 1 591 171 53 LEU C C 178.84 0.20 1 592 171 53 LEU CA C 57.38 0.20 1 593 171 53 LEU CB C 42.85 0.20 1 594 171 53 LEU CG C 26.33 0.20 1 595 171 53 LEU CD1 C 24.52 0.20 2 596 171 53 LEU CD2 C 25.93 0.20 2 597 171 53 LEU H H 7.94 0.03 1 598 171 53 LEU HA H 4.02 0.03 1 599 171 53 LEU HB3 H 1.28 0.03 2 600 171 53 LEU HB2 H 1.21 0.03 2 601 171 53 LEU HG H 1.41 0.03 1 602 171 53 LEU HD1 H 0.90 0.03 2 603 171 53 LEU HD2 H 0.66 0.03 2 604 172 54 PHE N N 112.72 0.30 1 605 172 54 PHE C C 174.61 0.20 1 606 172 54 PHE CA C 52.67 0.20 1 607 172 54 PHE CB C 37.23 0.20 1 608 172 54 PHE CD1 C 129.16 0.20 1 609 172 54 PHE CE1 C 131.22 0.20 1 610 172 54 PHE CZ C 129.70 0.20 1 611 172 54 PHE H H 8.05 0.03 1 612 172 54 PHE HA H 5.06 0.03 1 613 172 54 PHE HB3 H 3.76 0.03 2 614 172 54 PHE HB2 H 2.99 0.03 2 615 172 54 PHE HD1 H 6.62 0.03 3 616 172 54 PHE HE1 H 6.91 0.03 3 617 172 54 PHE HZ H 6.22 0.03 1 618 173 55 LYS N N 121.15 0.30 1 619 173 55 LYS C C 177.85 0.20 1 620 173 55 LYS CA C 59.03 0.20 1 621 173 55 LYS CB C 32.52 0.20 1 622 173 55 LYS CG C 24.33 0.20 1 623 173 55 LYS CD C 29.54 0.20 1 624 173 55 LYS CE C 42.23 0.20 1 625 173 55 LYS H H 7.02 0.03 1 626 173 55 LYS HA H 4.08 0.03 1 627 173 55 LYS HB3 H 2.09 0.03 2 628 173 55 LYS HB2 H 1.91 0.03 2 629 173 55 LYS HG3 H 1.54 0.03 2 630 173 55 LYS HD3 H 1.78 0.03 2 631 173 55 LYS HE3 H 3.06 0.03 2 632 174 56 GLY N N 112.91 0.30 1 633 174 56 GLY C C 174.11 0.20 1 634 174 56 GLY CA C 44.72 0.20 1 635 174 56 GLY H H 9.22 0.03 1 636 174 56 GLY HA3 H 4.33 0.03 2 637 174 56 GLY HA2 H 4.11 0.03 2 638 175 57 HIS N N 117.69 0.30 1 639 175 57 HIS C C 172.67 0.20 1 640 175 57 HIS CA C 53.15 0.20 1 641 175 57 HIS CB C 28.31 0.20 1 642 175 57 HIS CD2 C 120.28 0.20 1 643 175 57 HIS CE1 C 136.37 0.20 1 644 175 57 HIS H H 8.59 0.03 1 645 175 57 HIS HA H 5.11 0.03 1 646 175 57 HIS HB3 H 3.46 0.03 2 647 175 57 HIS HB2 H 3.04 0.03 2 648 175 57 HIS HD2 H 7.32 0.03 1 649 175 57 HIS HE1 H 8.39 0.03 1 650 176 58 PRO C C 178.53 0.20 1 651 176 58 PRO CA C 65.56 0.20 1 652 176 58 PRO CB C 31.82 0.20 1 653 176 58 PRO CG C 27.61 0.20 1 654 176 58 PRO CD C 50.83 0.20 1 655 176 58 PRO HA H 4.32 0.03 1 656 176 58 PRO HB3 H 2.41 0.03 2 657 176 58 PRO HB2 H 2.11 0.03 2 658 176 58 PRO HG3 H 2.09 0.03 2 659 176 58 PRO HD3 H 3.82 0.03 2 660 176 58 PRO HD2 H 3.43 0.03 2 661 177 59 ASP N N 117.26 0.30 1 662 177 59 ASP C C 179.92 0.20 1 663 177 59 ASP CA C 56.89 0.20 1 664 177 59 ASP CB C 38.64 0.20 1 665 177 59 ASP H H 9.08 0.03 1 666 177 59 ASP HA H 4.43 0.03 1 667 177 59 ASP HB3 H 2.78 0.03 2 668 177 59 ASP HB2 H 2.61 0.03 2 669 178 60 LEU N N 121.03 0.30 1 670 178 60 LEU C C 181.22 0.20 1 671 178 60 LEU CA C 56.70 0.20 1 672 178 60 LEU CB C 41.67 0.20 1 673 178 60 LEU CG C 26.68 0.20 1 674 178 60 LEU CD1 C 22.62 0.20 2 675 178 60 LEU CD2 C 26.88 0.20 2 676 178 60 LEU H H 7.73 0.03 1 677 178 60 LEU HA H 4.39 0.03 1 678 178 60 LEU HB3 H 1.74 0.03 2 679 178 60 LEU HB2 H 1.12 0.03 2 680 178 60 LEU HG H 1.52 0.03 1 681 178 60 LEU HD1 H 0.34 0.03 2 682 178 60 LEU HD2 H 0.12 0.03 2 683 179 61 ILE N N 123.68 0.30 1 684 179 61 ILE C C 177.58 0.20 1 685 179 61 ILE CA C 65.81 0.20 1 686 179 61 ILE CB C 38.15 0.20 1 687 179 61 ILE CG1 C 30.41 0.20 1 688 179 61 ILE CG2 C 17.68 0.20 1 689 179 61 ILE CD1 C 13.62 0.20 1 690 179 61 ILE H H 7.77 0.03 1 691 179 61 ILE HA H 3.83 0.03 1 692 179 61 ILE HB H 2.05 0.03 1 693 179 61 ILE HG13 H 1.96 0.03 2 694 179 61 ILE HG2 H 1.03 0.03 1 695 179 61 ILE HD1 H 0.97 0.03 1 696 180 62 MET N N 118.86 0.30 1 697 180 62 MET C C 180.10 0.20 1 698 180 62 MET CA C 58.78 0.20 1 699 180 62 MET CB C 32.25 0.20 1 700 180 62 MET CG C 32.25 0.20 1 701 180 62 MET CE C 17.00 0.20 1 702 180 62 MET H H 8.40 0.03 1 703 180 62 MET HA H 4.29 0.03 1 704 180 62 MET HB3 H 2.22 0.03 2 705 180 62 MET HB2 H 2.17 0.03 2 706 180 62 MET HG3 H 2.71 0.03 2 707 180 62 MET HG2 H 2.64 0.03 2 708 180 62 MET HE H 2.10 0.03 1 709 181 63 GLY N N 105.46 0.30 1 710 181 63 GLY C C 175.58 0.20 1 711 181 63 GLY CA C 47.29 0.20 1 712 181 63 GLY H H 8.17 0.03 1 713 181 63 GLY HA3 H 4.05 0.03 2 714 181 63 GLY HA2 H 3.94 0.03 2 715 182 64 PHE N N 124.11 0.30 1 716 182 64 PHE C C 176.44 0.20 1 717 182 64 PHE CA C 61.58 0.20 1 718 182 64 PHE CB C 38.63 0.20 1 719 182 64 PHE CD1 C 131.67 0.20 1 720 182 64 PHE CE1 C 130.36 0.20 1 721 182 64 PHE CZ C 129.72 0.20 1 722 182 64 PHE H H 7.84 0.03 1 723 182 64 PHE HA H 3.75 0.03 1 724 182 64 PHE HB3 H 3.66 0.03 2 725 182 64 PHE HB2 H 3.25 0.03 2 726 182 64 PHE HD1 H 7.25 0.03 3 727 182 64 PHE HE1 H 7.17 0.03 3 728 182 64 PHE HZ H 6.92 0.03 1 729 183 65 ASN N N 113.55 0.30 1 730 183 65 ASN C C 177.81 0.20 1 731 183 65 ASN CA C 55.04 0.20 1 732 183 65 ASN CB C 38.15 0.20 1 733 183 65 ASN ND2 N 109.16 0.30 1 734 183 65 ASN H H 7.69 0.03 1 735 183 65 ASN HA H 4.32 0.03 1 736 183 65 ASN HB3 H 2.98 0.03 2 737 183 65 ASN HB2 H 2.80 0.03 2 738 183 65 ASN HD21 H 7.36 0.03 2 739 183 65 ASN HD22 H 6.70 0.03 2 740 184 66 THR N N 113.87 0.30 1 741 184 66 THR C C 174.37 0.20 1 742 184 66 THR CA C 64.86 0.20 1 743 184 66 THR CB C 69.10 0.20 1 744 184 66 THR CG2 C 21.53 0.20 1 745 184 66 THR H H 7.31 0.03 1 746 184 66 THR HA H 3.83 0.03 1 747 184 66 THR HB H 3.66 0.03 1 748 184 66 THR HG2 H 0.88 0.03 1 749 185 67 PHE N N 117.83 0.30 1 750 185 67 PHE C C 173.75 0.20 1 751 185 67 PHE CA C 59.01 0.20 1 752 185 67 PHE CB C 38.61 0.20 1 753 185 67 PHE CD1 C 132.33 0.20 1 754 185 67 PHE CE1 C 130.59 0.20 1 755 185 67 PHE CZ C 128.64 0.20 1 756 185 67 PHE H H 7.45 0.03 1 757 185 67 PHE HA H 4.04 0.03 1 758 185 67 PHE HB3 H 3.27 0.03 2 759 185 67 PHE HB2 H 2.27 0.03 2 760 185 67 PHE HD1 H 6.96 0.03 3 761 185 67 PHE HE1 H 6.66 0.03 3 762 185 67 PHE HZ H 7.01 0.03 1 763 186 68 LEU N N 116.68 0.30 1 764 186 68 LEU C C 175.30 0.20 1 765 186 68 LEU CA C 52.94 0.20 1 766 186 68 LEU CB C 40.51 0.20 1 767 186 68 LEU CG C 27.43 0.20 1 768 186 68 LEU CD1 C 25.48 0.20 2 769 186 68 LEU CD2 C 23.04 0.20 2 770 186 68 LEU H H 6.76 0.03 1 771 186 68 LEU HA H 4.28 0.03 1 772 186 68 LEU HB3 H 1.62 0.03 2 773 186 68 LEU HB2 H 1.44 0.03 2 774 186 68 LEU HG H 1.60 0.03 1 775 186 68 LEU HD1 H 0.93 0.03 2 776 186 68 LEU HD2 H 0.79 0.03 2 777 187 69 PRO C C 175.20 0.20 1 778 187 69 PRO CA C 61.92 0.20 1 779 187 69 PRO CB C 30.94 0.20 1 780 187 69 PRO CG C 27.43 0.20 1 781 187 69 PRO CD C 50.61 0.20 1 782 187 69 PRO HA H 4.74 0.03 1 783 187 69 PRO HB3 H 2.35 0.03 2 784 187 69 PRO HB2 H 1.94 0.03 2 785 187 69 PRO HG3 H 2.12 0.03 2 786 187 69 PRO HD3 H 3.81 0.03 2 787 187 69 PRO HD2 H 3.57 0.03 2 788 188 70 PRO C C 176.60 0.20 1 789 188 70 PRO CA C 63.24 0.20 1 790 188 70 PRO CB C 32.07 0.20 1 791 188 70 PRO CG C 27.60 0.20 1 792 188 70 PRO CD C 50.82 0.20 1 793 188 70 PRO HA H 4.41 0.03 1 794 188 70 PRO HB3 H 2.26 0.03 2 795 188 70 PRO HB2 H 1.98 0.03 2 796 188 70 PRO HG3 H 2.05 0.03 2 797 188 70 PRO HG2 H 2.03 0.03 2 798 188 70 PRO HD3 H 3.82 0.03 2 799 188 70 PRO HD2 H 3.69 0.03 2 800 189 71 GLY N N 115.07 0.30 1 801 189 71 GLY C C 179.14 0.20 1 802 189 71 GLY CA C 46.14 0.20 1 803 189 71 GLY H H 7.91 0.03 1 804 189 71 GLY HA3 H 3.78 0.03 2 805 189 71 GLY HA2 H 3.69 0.03 2 stop_ save_ save_assigned_chem_shift_list_1_2 _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 Sap25 _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 1 127 2 SER C C 174.32 0.20 1 2 127 2 SER CA C 58.77 0.20 1 3 127 2 SER CB C 64.13 0.20 1 4 128 3 THR N N 115.74 0.30 1 5 128 3 THR C C 174.49 0.20 1 6 128 3 THR CA C 61.94 0.20 1 7 128 3 THR CB C 70.10 0.20 1 8 128 3 THR CG2 C 21.46 0.20 1 9 128 3 THR H H 8.18 0.03 1 10 128 3 THR HA H 4.41 0.03 1 11 128 3 THR HB H 4.29 0.03 1 12 128 3 THR HG2 H 1.20 0.03 1 13 129 4 TRP N N 123.24 0.30 1 14 129 4 TRP C C 175.37 0.20 1 15 129 4 TRP CA C 57.65 0.20 1 16 129 4 TRP CB C 30.00 0.20 1 17 129 4 TRP H H 8.09 0.03 1 18 129 4 TRP HA H 4.21 0.03 1 19 129 4 TRP HB3 H 3.23 0.03 2 20 130 5 LEU N N 124.03 0.30 1 21 130 5 LEU C C 176.61 0.20 1 22 130 5 LEU CA C 54.32 0.20 1 23 130 5 LEU CB C 44.83 0.20 1 24 130 5 LEU CG C 27.50 0.20 1 25 130 5 LEU CD1 C 26.46 0.20 2 26 130 5 LEU CD2 C 24.01 0.20 2 27 130 5 LEU H H 7.70 0.03 1 28 130 5 LEU HA H 4.51 0.03 1 29 130 5 LEU HB3 H 1.43 0.03 2 30 130 5 LEU HB2 H 1.39 0.03 2 31 130 5 LEU HG H 1.32 0.03 1 32 130 5 LEU HD1 H 0.68 0.03 2 33 130 5 LEU HD2 H 0.68 0.03 2 34 131 6 SER N N 118.75 0.30 1 35 131 6 SER C C 175.16 0.20 1 36 131 6 SER CA C 58.63 0.20 1 37 131 6 SER CB C 64.12 0.20 1 38 131 6 SER H H 9.26 0.03 1 39 131 6 SER HA H 4.42 0.03 1 40 131 6 SER HB3 H 3.89 0.03 2 41 131 6 SER HB2 H 3.86 0.03 2 42 132 7 GLU N N 121.83 0.30 1 43 132 7 GLU C C 178.66 0.20 1 44 132 7 GLU CA C 63.08 0.20 1 45 132 7 GLU CB C 32.86 0.20 1 46 132 7 GLU CG C 38.11 0.20 1 47 132 7 GLU H H 8.96 0.03 1 48 132 7 GLU HA H 4.03 0.03 1 49 132 7 GLU HB3 H 2.10 0.03 2 50 132 7 GLU HB2 H 2.03 0.03 2 51 132 7 GLU HG3 H 2.31 0.03 2 52 132 7 GLU HG2 H 2.24 0.03 2 53 133 8 ALA N N 119.59 0.30 1 54 133 8 ALA C C 181.37 0.20 1 55 133 8 ALA CA C 55.30 0.20 1 56 133 8 ALA CB C 19.60 0.20 1 57 133 8 ALA H H 8.36 0.03 1 58 133 8 ALA HA H 4.00 0.03 1 59 133 8 ALA HB H 1.39 0.03 1 60 134 9 GLU N N 118.85 0.30 1 61 134 9 GLU C C 178.87 0.20 1 62 134 9 GLU CA C 60.33 0.20 1 63 134 9 GLU CB C 30.62 0.20 1 64 134 9 GLU CG C 36.46 0.20 1 65 134 9 GLU H H 7.89 0.03 1 66 134 9 GLU HA H 3.89 0.03 1 67 134 9 GLU HB3 H 1.87 0.03 2 68 134 9 GLU HG3 H 2.49 0.03 2 69 135 10 MET N N 118.91 0.30 1 70 135 10 MET C C 174.53 0.20 1 71 135 10 MET CA C 58.76 0.20 1 72 135 10 MET CB C 30.69 0.20 1 73 135 10 MET CE C 17.46 0.20 1 74 135 10 MET H H 8.48 0.03 1 75 135 10 MET HA H 4.46 0.03 1 76 135 10 MET HB3 H 2.28 0.03 2 77 135 10 MET HG3 H 2.80 0.03 2 78 135 10 MET HE H 2.01 0.03 1 79 136 11 ILE N N 120.96 0.30 1 80 136 11 ILE C C 177.81 0.20 1 81 136 11 ILE CA C 64.85 0.20 1 82 136 11 ILE CB C 38.08 0.20 1 83 136 11 ILE CG1 C 29.75 0.20 1 84 136 11 ILE CG2 C 18.22 0.20 1 85 136 11 ILE CD1 C 13.77 0.20 1 86 136 11 ILE H H 8.15 0.03 1 87 136 11 ILE HA H 3.70 0.03 1 88 136 11 ILE HB H 1.88 0.03 1 89 136 11 ILE HG13 H 1.81 0.03 2 90 136 11 ILE HG12 H 1.06 0.03 2 91 136 11 ILE HG2 H 0.81 0.03 1 92 136 11 ILE HD1 H 0.84 0.03 1 93 137 12 ALA N N 121.92 0.30 1 94 137 12 ALA C C 178.88 0.20 1 95 137 12 ALA CA C 55.58 0.20 1 96 137 12 ALA CB C 19.67 0.20 1 97 137 12 ALA H H 7.68 0.03 1 98 137 12 ALA HA H 3.88 0.03 1 99 137 12 ALA HB H 1.41 0.03 1 100 138 13 LEU N N 118.32 0.30 1 101 138 13 LEU C C 178.02 0.20 1 102 138 13 LEU CA C 58.67 0.20 1 103 138 13 LEU CB C 42.68 0.20 1 104 138 13 LEU CG C 27.21 0.20 1 105 138 13 LEU CD1 C 26.46 0.20 2 106 138 13 LEU CD2 C 23.30 0.20 2 107 138 13 LEU H H 8.47 0.03 1 108 138 13 LEU HA H 3.84 0.03 1 109 138 13 LEU HB3 H 1.79 0.03 2 110 138 13 LEU HB2 H 1.72 0.03 2 111 138 13 LEU HG H 1.75 0.03 1 112 138 13 LEU HD1 H 0.76 0.03 2 113 138 13 LEU HD2 H 0.53 0.03 2 114 139 14 ALA N N 118.99 0.30 1 115 139 14 ALA C C 181.33 0.20 1 116 139 14 ALA CA C 55.22 0.20 1 117 139 14 ALA CB C 18.32 0.20 1 118 139 14 ALA H H 7.81 0.03 1 119 139 14 ALA HA H 4.05 0.03 1 120 139 14 ALA HB H 1.51 0.03 1 121 140 15 GLY N N 107.17 0.30 1 122 140 15 GLY C C 175.82 0.20 1 123 140 15 GLY CA C 47.98 0.20 1 124 140 15 GLY H H 8.86 0.03 1 125 140 15 GLY HA3 H 3.79 0.03 2 126 141 16 LEU N N 122.59 0.30 1 127 141 16 LEU C C 178.99 0.20 1 128 141 16 LEU CA C 58.23 0.20 1 129 141 16 LEU CB C 41.19 0.20 1 130 141 16 LEU CG C 27.21 0.20 1 131 141 16 LEU CD1 C 26.64 0.20 2 132 141 16 LEU CD2 C 25.70 0.20 2 133 141 16 LEU H H 8.40 0.03 1 134 141 16 LEU HA H 3.85 0.03 1 135 141 16 LEU HB3 H 1.83 0.03 2 136 141 16 LEU HB2 H 1.73 0.03 2 137 141 16 LEU HG H 1.81 0.03 1 138 141 16 LEU HD1 H 0.90 0.03 2 139 141 16 LEU HD2 H 0.88 0.03 2 140 142 17 LEU N N 116.17 0.30 1 141 142 17 LEU C C 180.00 0.20 1 142 142 17 LEU CA C 57.51 0.20 1 143 142 17 LEU CB C 41.76 0.20 1 144 142 17 LEU CG C 27.43 0.20 1 145 142 17 LEU CD1 C 25.84 0.20 2 146 142 17 LEU CD2 C 22.72 0.20 2 147 142 17 LEU H H 7.78 0.03 1 148 142 17 LEU HA H 4.14 0.03 1 149 142 17 LEU HB3 H 1.87 0.03 2 150 142 17 LEU HB2 H 1.52 0.03 2 151 142 17 LEU HG H 1.87 0.03 1 152 142 17 LEU HD1 H 0.86 0.03 2 153 142 17 LEU HD2 H 0.81 0.03 2 154 143 18 GLN N N 120.32 0.30 1 155 143 18 GLN C C 178.96 0.20 1 156 143 18 GLN CA C 58.96 0.20 1 157 143 18 GLN CB C 32.21 0.20 1 158 143 18 GLN CG C 34.91 0.20 1 159 143 18 GLN H H 8.46 0.03 1 160 143 18 GLN HA H 4.15 0.03 1 161 143 18 GLN HB3 H 2.32 0.03 2 162 143 18 GLN HG3 H 2.41 0.03 2 163 143 18 GLN HG2 H 2.16 0.03 2 164 144 19 MET N N 120.50 0.30 1 165 144 19 MET C C 177.91 0.20 1 166 144 19 MET CA C 59.54 0.20 1 167 144 19 MET CB C 33.70 0.20 1 168 144 19 MET CG C 32.01 0.20 1 169 144 19 MET CE C 17.28 0.20 1 170 144 19 MET H H 8.31 0.03 1 171 144 19 MET HA H 4.16 0.03 1 172 144 19 MET HB3 H 2.20 0.03 2 173 144 19 MET HB2 H 2.00 0.03 2 174 144 19 MET HG3 H 2.29 0.03 2 175 144 19 MET HG2 H 2.23 0.03 2 176 144 19 MET HE H 1.37 0.03 1 177 145 20 SER N N 111.45 0.30 1 178 145 20 SER C C 175.46 0.20 1 179 145 20 SER CA C 60.15 0.20 1 180 145 20 SER CB C 64.66 0.20 1 181 145 20 SER H H 7.59 0.03 1 182 145 20 SER HA H 4.24 0.03 1 183 145 20 SER HB3 H 4.05 0.03 2 184 146 21 GLN N N 119.36 0.30 1 185 146 21 GLN C C 177.04 0.20 1 186 146 21 GLN CA C 56.36 0.20 1 187 146 21 GLN CB C 29.58 0.20 1 188 146 21 GLN CG C 34.43 0.20 1 189 146 21 GLN H H 7.71 0.03 1 190 146 21 GLN HA H 4.37 0.03 1 191 146 21 GLN HB3 H 2.25 0.03 2 192 146 21 GLN HB2 H 2.18 0.03 2 193 146 21 GLN HG3 H 2.49 0.03 2 194 147 22 GLY N N 107.33 0.30 1 195 147 22 GLY C C 173.79 0.20 1 196 147 22 GLY CA C 45.72 0.20 1 197 147 22 GLY H H 7.98 0.03 1 198 147 22 GLY HA3 H 4.08 0.03 2 199 148 23 GLU N N 120.07 0.30 1 200 148 23 GLU C C 176.59 0.20 1 201 148 23 GLU CA C 56.17 0.20 1 202 148 23 GLU CB C 30.62 0.20 1 203 148 23 GLU CG C 36.44 0.20 1 204 148 23 GLU H H 8.43 0.03 1 205 148 23 GLU HA H 4.36 0.03 1 206 148 23 GLU HB3 H 2.10 0.03 2 207 148 23 GLU HB2 H 1.95 0.03 2 208 148 23 GLU HG3 H 2.30 0.03 2 209 149 24 GLN N N 121.44 0.30 1 210 149 24 GLN C C 175.92 0.20 1 211 149 24 GLN CA C 55.93 0.20 1 212 149 24 GLN CB C 29.90 0.20 1 213 149 24 GLN CG C 34.03 0.20 1 214 149 24 GLN H H 8.53 0.03 1 215 149 24 GLN HA H 4.40 0.03 1 216 149 24 GLN HB3 H 2.13 0.03 2 217 149 24 GLN HB2 H 1.99 0.03 2 218 149 24 GLN HG3 H 2.36 0.03 2 219 150 25 THR N N 117.55 0.30 1 220 150 25 THR C C 173.18 0.20 1 221 150 25 THR CA C 60.14 0.20 1 222 150 25 THR CB C 70.10 0.20 1 223 150 25 THR CG2 C 21.51 0.20 1 224 150 25 THR H H 8.26 0.03 1 225 150 25 THR HA H 4.61 0.03 1 226 150 25 THR HB H 4.21 0.03 1 227 150 25 THR HG2 H 1.26 0.03 1 228 151 26 PRO C C 176.77 0.20 1 229 151 26 PRO CA C 63.67 0.20 1 230 151 26 PRO CB C 32.50 0.20 1 231 151 26 PRO CG C 27.60 0.20 1 232 151 26 PRO CD C 51.32 0.20 1 233 151 26 PRO HA H 4.42 0.03 1 234 151 26 PRO HB3 H 2.24 0.03 2 235 151 26 PRO HB2 H 1.87 0.03 2 236 151 26 PRO HG3 H 1.94 0.03 2 237 151 26 PRO HG2 H 1.87 0.03 2 238 151 26 PRO HD3 H 3.68 0.03 2 239 152 27 ASN N N 118.36 0.30 1 240 152 27 ASN C C 175.23 0.20 1 241 152 27 ASN CA C 53.89 0.20 1 242 152 27 ASN CB C 39.10 0.20 1 243 152 27 ASN H H 8.53 0.03 1 244 152 27 ASN HA H 4.65 0.03 1 245 152 27 ASN HB3 H 2.85 0.03 2 246 152 27 ASN HB2 H 2.79 0.03 2 247 153 28 CYS N N 119.09 0.30 1 248 153 28 CYS C C 174.58 0.20 1 249 153 28 CYS CA C 58.61 0.20 1 250 153 28 CYS CB C 28.25 0.20 1 251 153 28 CYS H H 8.29 0.03 1 252 153 28 CYS HA H 4.51 0.03 1 253 153 28 CYS HB3 H 2.94 0.03 2 254 154 29 VAL N N 122.09 0.30 1 255 154 29 VAL C C 176.08 0.20 1 256 154 29 VAL CA C 62.69 0.20 1 257 154 29 VAL CB C 33.10 0.20 1 258 154 29 VAL CG1 C 21.22 0.20 2 259 154 29 VAL CG2 C 21.22 0.20 2 260 154 29 VAL H H 8.16 0.03 1 261 154 29 VAL HA H 4.13 0.03 1 262 154 29 VAL HB H 2.10 0.03 1 263 154 29 VAL HG1 H 0.94 0.03 2 264 154 29 VAL HG2 H 0.94 0.03 2 265 155 30 ALA N N 127.21 0.30 1 266 155 30 ALA C C 177.82 0.20 1 267 155 30 ALA CA C 52.82 0.20 1 268 155 30 ALA CB C 19.56 0.20 1 269 155 30 ALA H H 8.40 0.03 1 270 155 30 ALA HA H 4.32 0.03 1 271 155 30 ALA HB H 1.41 0.03 1 272 156 31 SER N N 114.54 0.30 1 273 156 31 SER C C 174.55 0.20 1 274 156 31 SER CA C 58.76 0.20 1 275 156 31 SER CB C 64.28 0.20 1 276 156 31 SER H H 8.22 0.03 1 277 156 31 SER HA H 4.46 0.03 1 278 156 31 SER HB3 H 3.99 0.03 2 279 156 31 SER HB2 H 3.84 0.03 2 280 157 32 SER N N 117.24 0.30 1 281 157 32 SER C C 174.00 0.20 1 282 157 32 SER CA C 58.26 0.20 1 283 157 32 SER CB C 64.09 0.20 1 284 157 32 SER H H 8.27 0.03 1 285 157 32 SER HA H 4.48 0.03 1 286 157 32 SER HB3 H 3.91 0.03 2 287 158 33 LEU N N 119.05 0.30 1 288 158 33 LEU C C 175.29 0.20 1 289 158 33 LEU CA C 53.48 0.20 1 290 158 33 LEU CB C 42.20 0.20 1 291 158 33 LEU CG C 27.43 0.20 1 292 158 33 LEU CD1 C 25.61 0.20 2 293 158 33 LEU CD2 C 23.96 0.20 2 294 158 33 LEU H H 8.28 0.03 1 295 158 33 LEU HA H 4.63 0.03 1 296 158 33 LEU HB3 H 1.62 0.03 2 297 158 33 LEU HB2 H 1.58 0.03 2 298 158 33 LEU HG H 1.68 0.03 1 299 158 33 LEU HD1 H 0.92 0.03 2 300 158 33 LEU HD2 H 0.92 0.03 2 301 159 34 PRO C C 177.42 0.20 1 302 159 34 PRO CA C 63.65 0.20 1 303 159 34 PRO CB C 32.38 0.20 1 304 159 34 PRO CG C 27.40 0.20 1 305 159 34 PRO CD C 50.35 0.20 1 306 159 34 PRO HA H 4.44 0.03 1 307 159 34 PRO HB3 H 2.23 0.03 2 308 159 34 PRO HG3 H 2.03 0.03 2 309 159 34 PRO HD3 H 3.60 0.03 2 310 160 35 SER N N 115.54 0.30 1 311 160 35 SER C C 175.11 0.20 1 312 160 35 SER CA C 58.67 0.20 1 313 160 35 SER CB C 64.10 0.20 1 314 160 35 SER H H 8.42 0.03 1 315 160 35 SER HA H 4.44 0.03 1 316 160 35 SER HB3 H 3.87 0.03 2 317 161 36 THR N N 114.94 0.30 1 318 161 36 THR C C 175.96 0.20 1 319 161 36 THR CA C 62.61 0.20 1 320 161 36 THR CB C 69.73 0.20 1 321 161 36 THR CG2 C 21.50 0.20 1 322 161 36 THR H H 8.13 0.03 1 323 161 36 THR HA H 4.33 0.03 1 324 161 36 THR HB H 4.14 0.03 1 325 161 36 THR HG2 H 1.13 0.03 1 326 162 37 SER N N 117.84 0.30 1 327 162 37 SER C C 173.95 0.20 1 328 162 37 SER CA C 58.24 0.20 1 329 162 37 SER CB C 64.22 0.20 1 330 162 37 SER H H 8.30 0.03 1 331 162 37 SER HA H 4.41 0.03 1 332 162 37 SER HB3 H 3.83 0.03 2 333 163 38 CYS N N 121.52 0.30 1 334 163 38 CYS C C 172.75 0.20 1 335 163 38 CYS CA C 56.49 0.20 1 336 163 38 CYS CB C 27.80 0.20 1 337 163 38 CYS H H 8.33 0.03 1 338 163 38 CYS HA H 4.79 0.03 1 339 163 38 CYS HB3 H 2.88 0.03 2 340 164 39 PRO C C 176.32 0.20 1 341 164 39 PRO CA C 63.53 0.20 1 342 164 39 PRO CB C 32.26 0.20 1 343 164 39 PRO CG C 27.36 0.20 1 344 164 39 PRO CD C 51.03 0.20 1 345 164 39 PRO HA H 4.41 0.03 1 346 164 39 PRO HB3 H 2.21 0.03 2 347 164 39 PRO HG3 H 1.97 0.03 2 348 164 39 PRO HG2 H 1.87 0.03 2 349 164 39 PRO HD3 H 3.69 0.03 2 350 165 40 ASP N N 121.63 0.30 1 351 165 40 ASP C C 175.64 0.20 1 352 165 40 ASP CA C 52.87 0.20 1 353 165 40 ASP CB C 41.10 0.20 1 354 165 40 ASP H H 8.32 0.03 1 355 165 40 ASP HA H 4.42 0.03 1 356 165 40 ASP HB3 H 2.66 0.03 2 357 165 40 ASP HB2 H 2.48 0.03 2 358 166 41 PRO C C 177.13 0.20 1 359 166 41 PRO CA C 63.38 0.20 1 360 166 41 PRO CB C 32.11 0.20 1 361 166 41 PRO CG C 27.36 0.20 1 362 166 41 PRO CD C 50.89 0.20 1 363 166 41 PRO HA H 4.42 0.03 1 364 166 41 PRO HB3 H 2.25 0.03 2 365 166 41 PRO HG3 H 1.94 0.03 2 366 166 41 PRO HD3 H 3.72 0.03 2 367 167 42 VAL N N 119.62 0.30 1 368 167 42 VAL C C 176.12 0.20 1 369 167 42 VAL CA C 62.18 0.20 1 370 167 42 VAL CB C 32.86 0.20 1 371 167 42 VAL CG1 C 21.37 0.20 2 372 167 42 VAL CG2 C 20.37 0.20 2 373 167 42 VAL H H 8.17 0.03 1 374 167 42 VAL HA H 4.08 0.03 1 375 167 42 VAL HB H 2.12 0.03 1 376 167 42 VAL HG1 H 0.92 0.03 2 377 167 42 VAL HG2 H 0.92 0.03 2 378 168 43 SER N N 119.14 0.30 1 379 168 43 SER C C 174.53 0.20 1 380 168 43 SER CA C 58.43 0.20 1 381 168 43 SER CB C 64.14 0.20 1 382 168 43 SER H H 8.35 0.03 1 383 168 43 SER HA H 4.47 0.03 1 384 168 43 SER HB3 H 3.81 0.03 2 385 169 44 VAL N N 121.41 0.30 1 386 169 44 VAL C C 176.13 0.20 1 387 169 44 VAL CA C 63.21 0.20 1 388 169 44 VAL CB C 32.26 0.20 1 389 169 44 VAL CG1 C 21.32 0.20 2 390 169 44 VAL CG2 C 20.49 0.20 2 391 169 44 VAL H H 8.15 0.03 1 392 169 44 VAL HA H 4.19 0.03 1 393 169 44 VAL HB H 2.04 0.03 1 394 169 44 VAL HG1 H 0.92 0.03 2 395 169 44 VAL HG2 H 0.92 0.03 2 396 170 45 SER N N 118.66 0.30 1 397 170 45 SER C C 174.36 0.20 1 398 170 45 SER CA C 58.32 0.20 1 399 170 45 SER CB C 64.27 0.20 1 400 170 45 SER H H 8.32 0.03 1 401 170 45 SER HA H 4.41 0.03 1 402 170 45 SER HB3 H 3.78 0.03 2 403 171 46 GLU N N 123.46 0.30 1 404 171 46 GLU C C 175.83 0.20 1 405 171 46 GLU CA C 56.14 0.20 1 406 171 46 GLU CB C 30.62 0.20 1 407 171 46 GLU CG C 36.34 0.20 1 408 171 46 GLU H H 8.47 0.03 1 409 171 46 GLU HA H 4.30 0.03 1 410 171 46 GLU HB3 H 1.98 0.03 2 411 171 46 GLU HB2 H 1.89 0.03 2 412 171 46 GLU HG3 H 2.24 0.03 2 413 172 47 ASP N N 122.79 0.30 1 414 172 47 ASP C C 174.67 0.20 1 415 172 47 ASP CA C 52.50 0.20 1 416 172 47 ASP CB C 41.59 0.20 1 417 172 47 ASP H H 8.35 0.03 1 418 172 47 ASP HA H 4.87 0.03 1 419 172 47 ASP HB3 H 2.72 0.03 2 420 172 47 ASP HB2 H 2.50 0.03 2 421 173 48 PRO C C 177.43 0.20 1 422 173 48 PRO CA C 63.78 0.20 1 423 173 48 PRO CB C 32.53 0.20 1 424 173 48 PRO CG C 27.07 0.20 1 425 173 48 PRO CD C 51.03 0.20 1 426 173 48 PRO HA H 4.49 0.03 1 427 173 48 PRO HB3 H 2.24 0.03 2 428 173 48 PRO HG3 H 2.02 0.03 2 429 173 48 PRO HD3 H 3.84 0.03 2 430 174 49 GLY N N 108.75 0.30 1 431 174 49 GLY CA C 44.48 0.20 1 432 174 49 GLY H H 8.29 0.03 1 433 174 49 GLY HA3 H 4.04 0.03 2 434 174 49 GLY HA2 H 3.68 0.03 2 435 175 50 PRO C C 177.57 0.20 1 436 175 50 PRO CA C 63.38 0.20 1 437 175 50 PRO CB C 32.26 0.20 1 438 175 50 PRO CG C 27.36 0.20 1 439 175 50 PRO CD C 50.18 0.20 1 440 175 50 PRO HA H 4.41 0.03 1 441 175 50 PRO HB3 H 2.23 0.03 2 442 175 50 PRO HG3 H 2.03 0.03 2 443 175 50 PRO HD3 H 3.64 0.03 2 444 176 51 SER N N 115.89 0.30 1 445 176 51 SER C C 175.31 0.20 1 446 176 51 SER CA C 58.50 0.20 1 447 176 51 SER CB C 64.31 0.20 1 448 176 51 SER H H 8.44 0.03 1 449 176 51 SER HA H 4.45 0.03 1 450 176 51 SER HB3 H 3.87 0.03 2 451 177 52 GLY N N 110.36 0.30 1 452 177 52 GLY C C 174.00 0.20 1 453 177 52 GLY CA C 45.51 0.20 1 454 177 52 GLY H H 8.36 0.03 1 455 177 52 GLY HA3 H 3.96 0.03 2 456 178 53 ASP N N 120.19 0.30 1 457 178 53 ASP C C 176.66 0.20 1 458 178 53 ASP CA C 54.30 0.20 1 459 178 53 ASP CB C 41.60 0.20 1 460 178 53 ASP H H 8.24 0.03 1 461 178 53 ASP HA H 4.59 0.03 1 462 178 53 ASP HB3 H 2.70 0.03 2 463 178 53 ASP HB2 H 2.64 0.03 2 464 179 54 GLN N N 120.82 0.30 1 465 179 54 GLN C C 176.46 0.20 1 466 179 54 GLN CA C 56.10 0.20 1 467 179 54 GLN CB C 29.70 0.20 1 468 179 54 GLN CG C 34.06 0.20 1 469 179 54 GLN H H 8.43 0.03 1 470 179 54 GLN HA H 4.37 0.03 1 471 179 54 GLN HB3 H 2.20 0.03 2 472 179 54 GLN HB2 H 1.99 0.03 2 473 179 54 GLN HG3 H 2.38 0.03 2 474 180 55 SER N N 116.69 0.30 1 475 180 55 SER C C 174.78 0.20 1 476 180 55 SER CA C 58.89 0.20 1 477 180 55 SER CB C 64.08 0.20 1 478 180 55 SER H H 8.42 0.03 1 479 180 55 SER HA H 4.43 0.03 1 480 180 55 SER HB3 H 3.88 0.03 2 481 181 56 CYS N N 120.46 0.30 1 482 181 56 CYS C C 174.75 0.20 1 483 181 56 CYS CA C 58.76 0.20 1 484 181 56 CYS CB C 28.09 0.20 1 485 181 56 CYS H H 8.39 0.03 1 486 181 56 CYS HA H 4.59 0.03 1 487 181 56 CYS HB3 H 2.97 0.03 2 488 182 57 SER N N 117.93 0.30 1 489 182 57 SER C C 175.16 0.20 1 490 182 57 SER CA C 58.50 0.20 1 491 182 57 SER CB C 64.17 0.20 1 492 182 57 SER H H 8.42 0.03 1 493 182 57 SER HA H 4.42 0.03 1 494 182 57 SER HB3 H 3.79 0.03 2 495 183 58 GLY N N 110.82 0.30 1 496 183 58 GLY C C 174.39 0.20 1 497 183 58 GLY CA C 45.76 0.20 1 498 183 58 GLY H H 8.44 0.03 1 499 183 58 GLY HA3 H 4.03 0.03 2 500 184 59 THR N N 112.70 0.30 1 501 184 59 THR C C 174.50 0.20 1 502 184 59 THR CA C 61.72 0.20 1 503 184 59 THR CB C 70.18 0.20 1 504 184 59 THR CG2 C 21.65 0.20 1 505 184 59 THR H H 8.08 0.03 1 506 184 59 THR HA H 4.35 0.03 1 507 184 59 THR HB H 4.08 0.03 1 508 184 59 THR HG2 H 1.20 0.03 1 509 185 60 ASP N N 122.85 0.30 1 510 185 60 ASP C C 175.62 0.20 1 511 185 60 ASP CA C 54.48 0.20 1 512 185 60 ASP CB C 41.41 0.20 1 513 185 60 ASP H H 8.46 0.03 1 514 185 60 ASP HA H 4.66 0.03 1 515 185 60 ASP HB3 H 2.71 0.03 2 516 185 60 ASP HB2 H 2.60 0.03 2 517 186 61 THR N N 118.58 0.30 1 518 186 61 THR C C 177.50 0.20 1 519 186 61 THR CA C 63.44 0.20 1 520 186 61 THR CB C 71.17 0.20 1 521 186 61 THR CG2 C 21.96 0.20 1 522 186 61 THR H H 7.74 0.03 1 523 186 61 THR HA H 4.40 0.03 1 524 186 61 THR HB H 4.16 0.03 1 525 186 61 THR HG2 H 1.13 0.03 1 stop_ save_