data_25251 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Ovis Aries PrP with mutation delta193-196 ; _BMRB_accession_number 25251 _BMRB_flat_file_name bmr25251.str _Entry_type original _Submission_date 2014-09-25 _Accession_date 2014-09-25 _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 Munoz Carola . . 2 Egalon Angelique . . 3 Beringue Vincent . . 4 Rezaei Human . . 5 Dron Michel . . 6 Sizun Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 138 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25250 PrPdelta190-197 stop_ _Original_release_date 2015-10-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conversion ability of prion protein helix 2 deletion mutants ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Munoz Carola . . 2 Sizun Christina . . 3 Egalon Angelique . . 4 Beringue Vincent . . 5 Rezaei Human . . 6 Dron Michel . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PrPdelta193-196 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight 17123.1885 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PrPdelta193-196 _Molecular_mass 17123.1885 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MSNKPSKPKTNMKHVAGAAA AGAVVGGLGGYMLGSVMSRP LIHFGNDYEDRYYRENMYRY PNQVYYRPVDQYSNQNNFVH DCVNITVKQHTVKGENFTET DIKIMERVVEQMCITQYQRE SQAYYQRGAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 82 GLY 3 83 SER 4 84 SER 5 85 HIS 6 86 HIS 7 87 HIS 8 88 HIS 9 89 HIS 10 90 HIS 11 91 SER 12 92 SER 13 93 GLY 14 94 LEU 15 95 VAL 16 96 PRO 17 97 ARG 18 98 GLY 19 99 SER 20 100 HIS 21 101 MET 22 102 SER 23 103 ASN 24 104 LYS 25 105 PRO 26 106 SER 27 107 LYS 28 108 PRO 29 109 LYS 30 110 THR 31 111 ASN 32 112 MET 33 113 LYS 34 114 HIS 35 115 VAL 36 116 ALA 37 117 GLY 38 118 ALA 39 119 ALA 40 120 ALA 41 121 ALA 42 122 GLY 43 123 ALA 44 124 VAL 45 125 VAL 46 126 GLY 47 127 GLY 48 128 LEU 49 129 GLY 50 130 GLY 51 131 TYR 52 132 MET 53 133 LEU 54 134 GLY 55 135 SER 56 136 VAL 57 137 MET 58 138 SER 59 139 ARG 60 140 PRO 61 141 LEU 62 142 ILE 63 143 HIS 64 144 PHE 65 145 GLY 66 146 ASN 67 147 ASP 68 148 TYR 69 149 GLU 70 150 ASP 71 151 ARG 72 152 TYR 73 153 TYR 74 154 ARG 75 155 GLU 76 156 ASN 77 157 MET 78 158 TYR 79 159 ARG 80 160 TYR 81 161 PRO 82 162 ASN 83 163 GLN 84 164 VAL 85 165 TYR 86 166 TYR 87 167 ARG 88 168 PRO 89 169 VAL 90 170 ASP 91 171 GLN 92 172 TYR 93 173 SER 94 174 ASN 95 175 GLN 96 176 ASN 97 177 ASN 98 178 PHE 99 179 VAL 100 180 HIS 101 181 ASP 102 182 CYS 103 183 VAL 104 184 ASN 105 185 ILE 106 186 THR 107 187 VAL 108 188 LYS 109 189 GLN 110 190 HIS 111 191 THR 112 192 VAL 113 193 LYS 114 194 GLY 115 195 GLU 116 196 ASN 117 197 PHE 118 198 THR 119 199 GLU 120 200 THR 121 201 ASP 122 202 ILE 123 203 LYS 124 204 ILE 125 205 MET 126 206 GLU 127 207 ARG 128 208 VAL 129 209 VAL 130 210 GLU 131 211 GLN 132 212 MET 133 213 CYS 134 214 ILE 135 215 THR 136 216 GLN 137 217 TYR 138 218 GLN 139 219 ARG 140 220 GLU 141 221 SER 142 222 GLN 143 223 ALA 144 224 TYR 145 225 TYR 146 226 GLN 147 227 ARG 148 228 GLY 149 229 ALA 150 230 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 25250 PrPdelta190-197 100.00 146 97.33 97.33 1.10e-101 EMBL CAA04276 "Prion protein [Ovis aries]" 88.00 256 96.97 96.97 1.15e-71 EMBL CAE00190 "prion protein [Ovis aries]" 88.00 256 96.97 96.97 1.15e-71 GB AAW88332 "PRNP [Ovis aries]" 88.00 256 96.97 96.97 1.15e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Variant _Gene_mnemonic $entity Sheep 9940 Eukaryota Metazoa Ovis aries VRQ 'PRNP prion protein' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.15 mM '[U-99% 13C; U-99% 15N]' 'Sodium acetate' 10.00 mM 'natural abundance' H2O 90 mM 'natural abundance' D2O 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.46 mM '[U-99% 15N]' 'Sodium acetate' 10.00 mM 'natural abundance' H2O 90 mM 'natural abundance' D2O 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Peter Guntert' 'University of Frankfurt, DE' http://www.cyana.org stop_ loop_ _Task 'Structure calculation' stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_Talos+ _Saveframe_category software _Name Talos+ _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Yang Shen' 'NIDDK, Bethesda, Bethesda, MD 20892-2560, USA' http://spin.niddk.nih.gov/TALOS stop_ loop_ _Task 'Dihedral angles' stop_ _Details . save_ save_Topspin _Saveframe_category software _Name Topspin _Version 3.1 loop_ _Vendor _Address _Electronic_address Bruker 'Bruker France, 67160 Wissembourg, FR' http://www.bruker.com/products/mr/nmr.html stop_ loop_ _Task collection procession stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_condition1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 5.300 0.1 pH pressure 1.000 . atm temperature 298.000 0.1 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis $Topspin stop_ loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $condition1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 82 2 GLY CA C 45.09 0.25 1 2 83 3 SER H H 8.33 0.02 1 3 83 3 SER CA C 58.24 0.25 1 4 83 3 SER N N 115.75 0.15 1 5 91 11 SER CA C 58.16 0.25 1 6 92 12 SER H H 8.53 0.02 1 7 92 12 SER HA H 4.47 0.02 1 8 92 12 SER HB2 H 3.89 0.02 1 9 92 12 SER HB3 H 3.89 0.02 1 10 92 12 SER CA C 58.49 0.25 1 11 92 12 SER N N 118.38 0.15 1 12 93 13 GLY H H 8.40 0.02 1 13 93 13 GLY HA2 H 3.94 0.02 2 14 93 13 GLY HA3 H 3.90 0.02 2 15 93 13 GLY CA C 45.09 0.25 1 16 93 13 GLY N N 110.59 0.15 1 17 94 14 LEU H H 8.09 0.02 1 18 94 14 LEU HA H 4.35 0.02 1 19 94 14 LEU HB3 H 1.56 0.02 1 20 94 14 LEU CA C 54.93 0.25 1 21 94 14 LEU N N 121.83 0.15 1 22 95 15 VAL H H 8.19 0.02 1 23 95 15 VAL HA H 4.39 0.02 1 24 95 15 VAL HB H 2.03 0.02 1 25 95 15 VAL HG1 H 0.92 0.02 1 26 95 15 VAL HG2 H 0.92 0.02 1 27 95 15 VAL CA C 59.79 0.25 1 28 95 15 VAL N N 123.65 0.15 1 29 96 16 PRO HA H 4.40 0.02 1 30 96 16 PRO HB3 H 2.24 0.02 1 31 96 16 PRO CA C 63.09 0.25 1 32 97 17 ARG H H 8.48 0.02 1 33 97 17 ARG HA H 4.30 0.02 1 34 97 17 ARG HB2 H 1.84 0.02 1 35 97 17 ARG CA C 56.33 0.25 1 36 97 17 ARG N N 122.07 0.15 1 37 98 18 GLY H H 8.45 0.02 1 38 98 18 GLY HA2 H 3.96 0.02 2 39 98 18 GLY HA3 H 3.97 0.02 2 40 98 18 GLY CA C 45.11 0.25 1 41 98 18 GLY N N 110.22 0.15 1 42 99 19 SER H H 8.21 0.02 1 43 99 19 SER HA H 4.41 0.02 1 44 99 19 SER HB2 H 3.81 0.02 1 45 99 19 SER HB3 H 3.81 0.02 1 46 99 19 SER CA C 58.26 0.25 1 47 99 19 SER N N 115.43 0.15 1 48 100 20 HIS H H 8.58 0.02 1 49 100 20 HIS HA H 4.71 0.02 1 50 100 20 HIS CA C 55.45 0.25 1 51 100 20 HIS N N 120.53 0.15 1 52 101 21 MET H H 8.36 0.02 1 53 101 21 MET HA H 4.47 0.02 1 54 101 21 MET HB2 H 2.06 0.02 2 55 101 21 MET HB3 H 1.97 0.02 2 56 101 21 MET CA C 55.42 0.25 1 57 101 21 MET N N 121.88 0.15 1 58 102 22 SER H H 8.42 0.02 1 59 102 22 SER HA H 4.44 0.02 1 60 102 22 SER HB2 H 3.90 0.02 2 61 102 22 SER HB3 H 3.85 0.02 2 62 102 22 SER CA C 58.13 0.25 1 63 102 22 SER N N 117.31 0.15 1 64 103 23 ASN H H 8.46 0.02 1 65 103 23 ASN HA H 4.72 0.02 1 66 103 23 ASN HB2 H 2.75 0.02 1 67 103 23 ASN CA C 52.96 0.25 1 68 103 23 ASN N N 121.19 0.15 1 69 104 24 LYS H H 8.27 0.02 1 70 104 24 LYS HA H 4.59 0.02 1 71 104 24 LYS HB3 H 1.69 0.02 1 72 104 24 LYS CA C 54.13 0.25 1 73 104 24 LYS N N 122.86 0.15 1 74 105 25 PRO HA H 4.45 0.02 1 75 105 25 PRO CA C 63.07 0.25 1 76 106 26 SER H H 8.46 0.02 1 77 106 26 SER HA H 4.43 0.02 1 78 106 26 SER HB2 H 3.82 0.02 2 79 106 26 SER HB3 H 3.83 0.02 2 80 106 26 SER CA C 58.04 0.25 1 81 106 26 SER N N 117.03 0.15 1 82 107 27 LYS H H 8.35 0.02 1 83 107 27 LYS HA H 4.62 0.02 1 84 107 27 LYS HB2 H 1.72 0.02 2 85 107 27 LYS HB3 H 1.82 0.02 2 86 107 27 LYS CA C 54.15 0.25 1 87 107 27 LYS N N 124.25 0.15 1 88 108 28 PRO HA H 4.41 0.02 1 89 108 28 PRO CA C 63.01 0.25 1 90 109 29 LYS H H 8.52 0.02 1 91 109 29 LYS HA H 4.33 0.02 1 92 109 29 LYS HB2 H 1.79 0.02 2 93 109 29 LYS HB3 H 1.85 0.02 2 94 109 29 LYS CA C 56.32 0.25 1 95 109 29 LYS N N 122.10 0.15 1 96 110 30 THR H H 8.14 0.02 1 97 110 30 THR HA H 4.32 0.02 1 98 110 30 THR HB H 4.15 0.02 1 99 110 30 THR HG2 H 1.18 0.02 1 100 110 30 THR CA C 61.60 0.25 1 101 110 30 THR N N 115.40 0.15 1 102 111 31 ASN H H 8.54 0.02 1 103 111 31 ASN HA H 4.72 0.02 1 104 111 31 ASN HB2 H 2.81 0.02 2 105 111 31 ASN HB3 H 2.77 0.02 2 106 111 31 ASN CA C 53.03 0.25 1 107 111 31 ASN N N 121.41 0.15 1 108 112 32 MET H H 8.35 0.02 1 109 112 32 MET HA H 4.43 0.02 1 110 112 32 MET HB2 H 2.01 0.02 2 111 112 32 MET HB3 H 1.96 0.02 2 112 112 32 MET CA C 55.38 0.25 1 113 112 32 MET N N 121.35 0.15 1 114 113 33 LYS H H 8.30 0.02 1 115 113 33 LYS HA H 4.24 0.02 1 116 113 33 LYS HB2 H 1.71 0.02 2 117 113 33 LYS HB3 H 1.72 0.02 2 118 113 33 LYS CA C 56.31 0.25 1 119 113 33 LYS N N 122.44 0.15 1 120 114 34 HIS H H 8.50 0.02 1 121 114 34 HIS HA H 4.68 0.02 1 122 114 34 HIS HB2 H 3.10 0.02 2 123 114 34 HIS HB3 H 3.17 0.02 2 124 114 34 HIS CA C 55.24 0.25 1 125 114 34 HIS N N 120.69 0.15 1 126 115 35 VAL H H 8.18 0.02 1 127 115 35 VAL HA H 4.08 0.02 1 128 115 35 VAL HB H 2.01 0.02 1 129 115 35 VAL HG1 H 0.88 0.02 1 130 115 35 VAL HG2 H 0.88 0.02 1 131 115 35 VAL CA C 61.95 0.25 1 132 115 35 VAL N N 122.76 0.15 1 133 116 36 ALA H H 8.46 0.02 1 134 116 36 ALA HA H 4.29 0.02 1 135 116 36 ALA HB H 1.38 0.02 1 136 116 36 ALA CA C 52.53 0.25 1 137 116 36 ALA N N 128.28 0.15 1 138 117 37 GLY H H 8.37 0.02 1 139 117 37 GLY HA2 H 3.92 0.02 1 140 117 37 GLY HA3 H 3.92 0.02 1 141 117 37 GLY CA C 45.04 0.25 1 142 117 37 GLY N N 108.69 0.15 1 143 118 38 ALA H H 8.14 0.02 1 144 118 38 ALA HA H 4.28 0.02 1 145 118 38 ALA HB H 1.35 0.02 1 146 118 38 ALA CA C 52.41 0.25 1 147 118 38 ALA N N 123.84 0.15 1 148 119 39 ALA H H 8.29 0.02 1 149 119 39 ALA HA H 4.26 0.02 1 150 119 39 ALA HB H 1.36 0.02 1 151 119 39 ALA CA C 52.32 0.25 1 152 119 39 ALA N N 123.30 0.15 1 153 120 40 ALA H H 8.21 0.02 1 154 120 40 ALA HA H 4.25 0.02 1 155 120 40 ALA HB H 1.35 0.02 1 156 120 40 ALA CA C 52.29 0.25 1 157 120 40 ALA N N 123.37 0.15 1 158 121 41 ALA H H 8.24 0.02 1 159 121 41 ALA HA H 4.28 0.02 1 160 121 41 ALA HB H 1.37 0.02 1 161 121 41 ALA CA C 52.60 0.25 1 162 121 41 ALA N N 123.34 0.15 1 163 122 42 GLY H H 8.27 0.02 1 164 122 42 GLY HA2 H 3.91 0.02 2 165 122 42 GLY HA3 H 3.93 0.02 2 166 122 42 GLY CA C 45.04 0.25 1 167 122 42 GLY N N 107.92 0.15 1 168 123 43 ALA H H 8.06 0.02 1 169 123 43 ALA HA H 4.34 0.02 1 170 123 43 ALA HB H 1.34 0.02 1 171 123 43 ALA CA C 52.23 0.25 1 172 123 43 ALA N N 123.51 0.15 1 173 124 44 VAL H H 8.13 0.02 1 174 124 44 VAL HA H 4.10 0.02 1 175 124 44 VAL HB H 2.00 0.02 1 176 124 44 VAL HG1 H 0.88 0.02 1 177 124 44 VAL HG2 H 0.88 0.02 1 178 124 44 VAL CA C 62.24 0.25 1 179 124 44 VAL N N 119.70 0.15 1 180 125 45 VAL H H 8.26 0.02 1 181 125 45 VAL HA H 4.08 0.02 1 182 125 45 VAL HB H 2.00 0.02 1 183 125 45 VAL HG1 H 0.89 0.02 1 184 125 45 VAL HG2 H 0.89 0.02 1 185 125 45 VAL CA C 62.52 0.25 1 186 125 45 VAL N N 124.75 0.15 1 187 126 46 GLY H H 8.55 0.02 1 188 126 46 GLY HA2 H 3.90 0.02 2 189 126 46 GLY HA3 H 3.96 0.02 2 190 126 46 GLY CA C 45.24 0.25 1 191 126 46 GLY N N 113.27 0.15 1 192 127 47 GLY H H 8.26 0.02 1 193 127 47 GLY HA2 H 3.94 0.02 2 194 127 47 GLY HA3 H 3.91 0.02 2 195 127 47 GLY CA C 45.26 0.25 1 196 127 47 GLY N N 108.44 0.15 1 197 128 48 LEU H H 8.20 0.02 1 198 128 48 LEU HA H 4.35 0.02 1 199 128 48 LEU HB2 H 1.48 0.02 2 200 128 48 LEU HB3 H 1.60 0.02 2 201 128 48 LEU HG H 1.53 0.02 1 202 128 48 LEU HD1 H 0.68 0.02 2 203 128 48 LEU HD2 H 0.57 0.02 2 204 128 48 LEU CA C 54.85 0.25 1 205 128 48 LEU N N 121.69 0.15 1 206 129 49 GLY H H 8.51 0.02 1 207 129 49 GLY HA2 H 3.83 0.02 2 208 129 49 GLY HA3 H 3.91 0.02 2 209 129 49 GLY CA C 46.13 0.25 1 210 129 49 GLY N N 109.76 0.15 1 211 130 50 GLY H H 8.33 0.02 1 212 130 50 GLY HA2 H 3.74 0.02 2 213 130 50 GLY HA3 H 3.89 0.02 2 214 130 50 GLY CA C 45.09 0.25 1 215 130 50 GLY N N 109.03 0.15 1 216 131 51 TYR H H 7.75 0.02 1 217 131 51 TYR HA H 4.45 0.02 1 218 131 51 TYR HB2 H 2.83 0.02 2 219 131 51 TYR HB3 H 2.89 0.02 2 220 131 51 TYR HD1 H 6.81 0.02 3 221 131 51 TYR HD2 H 6.81 0.02 3 222 131 51 TYR HE1 H 6.62 0.02 3 223 131 51 TYR HE2 H 6.62 0.02 3 224 131 51 TYR CA C 58.02 0.25 1 225 131 51 TYR N N 117.72 0.15 1 226 132 52 MET H H 9.07 0.02 1 227 132 52 MET HA H 4.52 0.02 1 228 132 52 MET HB2 H 1.56 0.02 2 229 132 52 MET HB3 H 0.94 0.02 2 230 132 52 MET HG2 H 2.19 0.02 1 231 132 52 MET HG3 H 2.19 0.02 1 232 132 52 MET CA C 53.62 0.25 1 233 132 52 MET N N 121.17 0.15 1 234 133 53 LEU H H 8.06 0.02 1 235 133 53 LEU HA H 4.50 0.02 1 236 133 53 LEU HB2 H 0.97 0.02 2 237 133 53 LEU HB3 H 1.59 0.02 2 238 133 53 LEU HD1 H 0.58 0.02 2 239 133 53 LEU HD2 H -0.06 0.02 2 240 133 53 LEU CA C 53.25 0.25 1 241 133 53 LEU N N 121.23 0.15 1 242 134 54 GLY H H 9.35 0.02 1 243 134 54 GLY HA2 H 4.08 0.02 2 244 134 54 GLY HA3 H 4.42 0.02 2 245 134 54 GLY CA C 44.81 0.25 1 246 134 54 GLY N N 114.86 0.15 1 247 135 55 SER H H 8.29 0.02 1 248 135 55 SER HA H 4.44 0.02 1 249 135 55 SER HB2 H 4.08 0.02 2 250 135 55 SER HB3 H 3.95 0.02 2 251 135 55 SER CA C 58.39 0.25 1 252 135 55 SER N N 113.13 0.15 1 253 136 56 VAL H H 8.46 0.02 1 254 136 56 VAL HA H 4.04 0.02 1 255 136 56 VAL HB H 1.88 0.02 1 256 136 56 VAL HG1 H 0.86 0.02 2 257 136 56 VAL HG2 H 0.92 0.02 2 258 136 56 VAL CA C 64.07 0.25 1 259 136 56 VAL N N 121.92 0.15 1 260 137 57 MET H H 8.86 0.02 1 261 137 57 MET HA H 4.78 0.02 1 262 137 57 MET HB2 H 2.00 0.02 2 263 137 57 MET HB3 H 2.03 0.02 2 264 137 57 MET HG2 H 2.46 0.02 2 265 137 57 MET HG3 H 2.38 0.02 2 266 137 57 MET CA C 53.73 0.25 1 267 137 57 MET N N 126.16 0.15 1 268 138 58 SER H H 8.40 0.02 1 269 138 58 SER HA H 4.31 0.02 1 270 138 58 SER HB2 H 3.82 0.02 2 271 138 58 SER HB3 H 3.72 0.02 2 272 138 58 SER CA C 58.66 0.25 1 273 138 58 SER N N 116.21 0.15 1 274 139 59 ARG H H 8.62 0.02 1 275 139 59 ARG HA H 4.40 0.02 1 276 139 59 ARG HB2 H 1.67 0.02 2 277 139 59 ARG HB3 H 1.63 0.02 2 278 139 59 ARG HG2 H 1.84 0.02 2 279 139 59 ARG HG3 H 1.82 0.02 2 280 139 59 ARG CA C 54.97 0.25 1 281 139 59 ARG N N 126.13 0.15 1 282 140 60 PRO HA H 4.36 0.02 1 283 140 60 PRO HB2 H 1.75 0.02 2 284 140 60 PRO HB3 H 2.21 0.02 2 285 140 60 PRO HD3 H 3.71 0.02 1 286 140 60 PRO CA C 62.44 0.25 1 287 141 61 LEU H H 8.68 0.02 1 288 141 61 LEU HA H 4.55 0.02 1 289 141 61 LEU HB2 H 1.64 0.02 2 290 141 61 LEU HB3 H 1.51 0.02 2 291 141 61 LEU HG H 1.58 0.02 1 292 141 61 LEU HD1 H 0.92 0.02 2 293 141 61 LEU HD2 H 0.85 0.02 2 294 141 61 LEU CA C 54.31 0.25 1 295 141 61 LEU N N 125.17 0.15 1 296 142 62 ILE H H 6.95 0.02 1 297 142 62 ILE HA H 3.92 0.02 1 298 142 62 ILE HB H 1.10 0.02 1 299 142 62 ILE HG12 H 0.85 0.02 2 300 142 62 ILE HG13 H 0.67 0.02 2 301 142 62 ILE HG2 H -0.01 0.02 1 302 142 62 ILE HD1 H 0.37 0.02 1 303 142 62 ILE CA C 59.50 0.25 1 304 142 62 ILE N N 122.27 0.15 1 305 143 63 HIS H H 8.30 0.02 1 306 143 63 HIS HA H 4.92 0.02 1 307 143 63 HIS HB2 H 3.28 0.02 2 308 143 63 HIS HB3 H 2.96 0.02 2 309 143 63 HIS CA C 54.05 0.25 1 310 143 63 HIS N N 121.93 0.15 1 311 144 64 PHE H H 10.29 0.02 1 312 144 64 PHE HA H 4.20 0.02 1 313 144 64 PHE HB2 H 3.29 0.02 2 314 144 64 PHE HB3 H 2.83 0.02 2 315 144 64 PHE HD1 H 7.36 0.02 3 316 144 64 PHE HD2 H 7.36 0.02 3 317 144 64 PHE HE1 H 6.89 0.02 3 318 144 64 PHE HE2 H 6.89 0.02 3 319 144 64 PHE HZ H 6.53 0.02 1 320 144 64 PHE CA C 59.88 0.25 1 321 144 64 PHE N N 125.28 0.15 1 322 145 65 GLY H H 9.01 0.02 1 323 145 65 GLY HA2 H 4.10 0.02 2 324 145 65 GLY HA3 H 3.71 0.02 2 325 145 65 GLY CA C 45.64 0.25 1 326 145 65 GLY N N 108.73 0.15 1 327 146 66 ASN H H 7.26 0.02 1 328 146 66 ASN HA H 4.84 0.02 1 329 146 66 ASN HB2 H 2.82 0.02 2 330 146 66 ASN HB3 H 2.79 0.02 2 331 146 66 ASN HD21 H 7.50 0.02 1 332 146 66 ASN HD22 H 7.54 0.02 1 333 146 66 ASN CA C 52.55 0.25 1 334 146 66 ASN N N 114.44 0.15 1 335 146 66 ASN ND2 N 116.16 0.15 1 336 147 67 ASP H H 8.96 0.02 1 337 147 67 ASP HA H 4.41 0.02 1 338 147 67 ASP HB2 H 2.70 0.02 1 339 147 67 ASP HB3 H 2.70 0.02 1 340 147 67 ASP CA C 57.78 0.25 1 341 147 67 ASP N N 123.42 0.15 1 342 148 68 TYR H H 8.37 0.02 1 343 148 68 TYR HA H 4.20 0.02 1 344 148 68 TYR HB2 H 3.21 0.02 2 345 148 68 TYR HB3 H 3.03 0.02 2 346 148 68 TYR HD1 H 7.05 0.02 3 347 148 68 TYR HD2 H 7.05 0.02 3 348 148 68 TYR HE1 H 6.72 0.02 3 349 148 68 TYR HE2 H 6.72 0.02 3 350 148 68 TYR CA C 61.69 0.25 1 351 148 68 TYR N N 120.14 0.15 1 352 149 69 GLU H H 8.31 0.02 1 353 149 69 GLU HA H 3.53 0.02 1 354 149 69 GLU HB2 H 1.37 0.02 2 355 149 69 GLU HB3 H 1.86 0.02 2 356 149 69 GLU HG2 H 2.44 0.02 2 357 149 69 GLU HG3 H 1.82 0.02 2 358 149 69 GLU CA C 59.79 0.25 1 359 149 69 GLU N N 119.66 0.15 1 360 150 70 ASP H H 7.99 0.02 1 361 150 70 ASP HA H 4.68 0.02 1 362 150 70 ASP HB2 H 2.82 0.02 2 363 150 70 ASP HB3 H 2.92 0.02 2 364 150 70 ASP CA C 58.53 0.25 1 365 150 70 ASP N N 118.27 0.15 1 366 151 71 ARG H H 8.08 0.02 1 367 151 71 ARG HA H 3.98 0.02 1 368 151 71 ARG HB2 H 1.89 0.02 1 369 151 71 ARG HB3 H 1.89 0.02 1 370 151 71 ARG HG2 H 1.52 0.02 2 371 151 71 ARG HG3 H 1.71 0.02 2 372 151 71 ARG CA C 59.40 0.25 1 373 151 71 ARG N N 120.12 0.15 1 374 152 72 TYR H H 8.44 0.02 1 375 152 72 TYR HA H 3.84 0.02 1 376 152 72 TYR HB2 H 2.72 0.02 2 377 152 72 TYR HB3 H 2.57 0.02 2 378 152 72 TYR HD1 H 6.82 0.02 3 379 152 72 TYR HD2 H 6.82 0.02 3 380 152 72 TYR CA C 61.98 0.25 1 381 152 72 TYR N N 121.19 0.15 1 382 153 73 TYR H H 8.80 0.02 1 383 153 73 TYR HA H 4.27 0.02 1 384 153 73 TYR HB2 H 3.20 0.02 1 385 153 73 TYR HB3 H 3.20 0.02 1 386 153 73 TYR HD1 H 7.29 0.02 3 387 153 73 TYR HD2 H 7.29 0.02 3 388 153 73 TYR HE1 H 6.90 0.02 3 389 153 73 TYR HE2 H 6.90 0.02 3 390 153 73 TYR CA C 61.33 0.25 1 391 153 73 TYR N N 119.24 0.15 1 392 154 74 ARG H H 7.65 0.02 1 393 154 74 ARG HA H 3.67 0.02 1 394 154 74 ARG HB2 H 1.93 0.02 1 395 154 74 ARG HB3 H 1.93 0.02 1 396 154 74 ARG HG2 H 1.88 0.02 2 397 154 74 ARG HG3 H 1.66 0.02 2 398 154 74 ARG CA C 59.75 0.25 1 399 154 74 ARG N N 116.78 0.15 1 400 155 75 GLU H H 8.00 0.02 1 401 155 75 GLU HA H 4.08 0.02 1 402 155 75 GLU HB2 H 1.90 0.02 2 403 155 75 GLU HB3 H 1.87 0.02 2 404 155 75 GLU HG2 H 2.20 0.02 2 405 155 75 GLU HG3 H 2.42 0.02 2 406 155 75 GLU CA C 58.06 0.25 1 407 155 75 GLU N N 115.76 0.15 1 408 156 76 ASN H H 7.55 0.02 1 409 156 76 ASN HA H 4.61 0.02 1 410 156 76 ASN HB2 H 2.24 0.02 2 411 156 76 ASN HB3 H 2.32 0.02 2 412 156 76 ASN HD21 H 6.56 0.02 1 413 156 76 ASN HD22 H 6.79 0.02 1 414 156 76 ASN CA C 54.34 0.25 1 415 156 76 ASN N N 115.18 0.15 1 416 156 76 ASN ND2 N 116.90 0.15 1 417 157 77 MET H H 7.55 0.02 1 418 157 77 MET HA H 3.64 0.02 1 419 157 77 MET HB2 H 1.72 0.02 2 420 157 77 MET HB3 H 1.58 0.02 2 421 157 77 MET HG2 H 2.14 0.02 2 422 157 77 MET HG3 H 1.94 0.02 2 423 157 77 MET CA C 59.90 0.25 1 424 157 77 MET N N 119.09 0.15 1 425 158 78 TYR H H 7.58 0.02 1 426 158 78 TYR HA H 4.19 0.02 1 427 158 78 TYR HB2 H 3.02 0.02 2 428 158 78 TYR HB3 H 2.96 0.02 2 429 158 78 TYR HD1 H 7.07 0.02 3 430 158 78 TYR HD2 H 7.07 0.02 3 431 158 78 TYR HE1 H 6.87 0.02 3 432 158 78 TYR HE2 H 6.87 0.02 3 433 158 78 TYR CA C 59.15 0.25 1 434 158 78 TYR N N 114.33 0.15 1 435 159 79 ARG H H 7.54 0.02 1 436 159 79 ARG HA H 4.05 0.02 1 437 159 79 ARG HB2 H 1.38 0.02 2 438 159 79 ARG HB3 H 1.79 0.02 2 439 159 79 ARG HG2 H 1.21 0.02 2 440 159 79 ARG HG3 H 0.69 0.02 2 441 159 79 ARG CA C 56.31 0.25 1 442 159 79 ARG N N 118.60 0.15 1 443 160 80 TYR H H 7.40 0.02 1 444 160 80 TYR HA H 4.93 0.02 1 445 160 80 TYR HB2 H 3.18 0.02 2 446 160 80 TYR HB3 H 3.04 0.02 2 447 160 80 TYR HD1 H 7.01 0.02 3 448 160 80 TYR HD2 H 7.01 0.02 3 449 160 80 TYR HE1 H 6.66 0.02 3 450 160 80 TYR HE2 H 6.66 0.02 3 451 160 80 TYR CA C 54.14 0.25 1 452 160 80 TYR N N 119.82 0.15 1 453 161 81 PRO HA H 4.46 0.02 1 454 161 81 PRO HB3 H 2.22 0.02 1 455 161 81 PRO HD3 H 3.67 0.02 1 456 161 81 PRO CA C 63.58 0.25 1 457 162 82 ASN H H 8.50 0.02 1 458 162 82 ASN HA H 4.67 0.02 1 459 162 82 ASN HB2 H 2.55 0.02 2 460 162 82 ASN HB3 H 3.71 0.02 2 461 162 82 ASN HD21 H 6.77 0.02 1 462 162 82 ASN HD22 H 7.44 0.02 1 463 162 82 ASN CA C 51.57 0.25 1 464 162 82 ASN N N 115.48 0.15 1 465 162 82 ASN ND2 N 108.69 0.15 1 466 163 83 GLN H H 7.30 0.02 1 467 163 83 GLN HA H 4.53 0.02 1 468 163 83 GLN HB3 H 1.68 0.02 1 469 163 83 GLN HG2 H 2.21 0.02 2 470 163 83 GLN HG3 H 2.02 0.02 2 471 163 83 GLN HE21 H 7.01 0.02 1 472 163 83 GLN HE22 H 8.05 0.02 1 473 163 83 GLN CA C 54.24 0.25 1 474 163 83 GLN N N 112.87 0.15 1 475 163 83 GLN NE2 N 113.38 0.15 1 476 164 84 VAL H H 8.61 0.02 1 477 164 84 VAL HA H 4.92 0.02 1 478 164 84 VAL HB H 2.62 0.02 1 479 164 84 VAL HG1 H 0.74 0.02 2 480 164 84 VAL HG2 H 0.93 0.02 2 481 164 84 VAL CA C 58.77 0.25 1 482 164 84 VAL N N 112.97 0.15 1 483 165 85 TYR H H 8.43 0.02 1 484 165 85 TYR HA H 5.57 0.02 1 485 165 85 TYR HB2 H 2.60 0.02 2 486 165 85 TYR HB3 H 2.54 0.02 2 487 165 85 TYR HD1 H 6.88 0.02 3 488 165 85 TYR HD2 H 6.88 0.02 3 489 165 85 TYR HE1 H 6.73 0.02 3 490 165 85 TYR HE2 H 6.73 0.02 3 491 165 85 TYR CA C 57.04 0.25 1 492 165 85 TYR N N 121.19 0.15 1 493 166 86 TYR H H 8.55 0.02 1 494 166 86 TYR HA H 4.81 0.02 1 495 166 86 TYR HB2 H 2.78 0.02 2 496 166 86 TYR HB3 H 2.77 0.02 2 497 166 86 TYR HD1 H 7.10 0.02 3 498 166 86 TYR HD2 H 7.10 0.02 3 499 166 86 TYR HE1 H 6.46 0.02 3 500 166 86 TYR HE2 H 6.46 0.02 3 501 166 86 TYR CA C 55.94 0.25 1 502 166 86 TYR N N 111.09 0.15 1 503 167 87 ARG H H 8.45 0.02 1 504 167 87 ARG CA C 54.44 0.25 1 505 167 87 ARG N N 121.56 0.15 1 506 168 88 PRO HA H 4.56 0.02 1 507 168 88 PRO HB3 H 2.45 0.02 1 508 168 88 PRO CA C 63.55 0.25 1 509 169 89 VAL H H 8.58 0.02 1 510 169 89 VAL HA H 4.22 0.02 1 511 169 89 VAL HB H 1.97 0.02 1 512 169 89 VAL HG1 H 0.71 0.02 2 513 169 89 VAL HG2 H 0.74 0.02 2 514 169 89 VAL CA C 63.52 0.25 1 515 169 89 VAL N N 119.19 0.15 1 516 170 90 ASP CA C 54.40 0.25 1 517 171 91 GLN H H 8.22 0.02 1 518 171 91 GLN N N 115.59 0.15 1 519 174 94 ASN HB2 H 3.13 0.02 2 520 174 94 ASN HB3 H 2.98 0.02 2 521 174 94 ASN HD21 H 6.68 0.02 1 522 174 94 ASN HD22 H 7.50 0.02 1 523 174 94 ASN CA C 52.38 0.25 1 524 174 94 ASN ND2 N 113.43 0.15 1 525 175 95 GLN H H 8.62 0.02 1 526 175 95 GLN HA H 2.98 0.02 1 527 175 95 GLN HB2 H 1.54 0.02 2 528 175 95 GLN HB3 H 1.63 0.02 2 529 175 95 GLN HG2 H 1.82 0.02 2 530 175 95 GLN HG3 H 1.05 0.02 2 531 175 95 GLN HE21 H 6.87 0.02 1 532 175 95 GLN HE22 H 7.23 0.02 1 533 175 95 GLN CA C 59.07 0.25 1 534 175 95 GLN N N 119.82 0.15 1 535 175 95 GLN NE2 N 111.69 0.15 1 536 176 96 ASN H H 8.40 0.02 1 537 176 96 ASN HA H 4.23 0.02 1 538 176 96 ASN HB2 H 2.72 0.02 2 539 176 96 ASN HB3 H 2.67 0.02 2 540 176 96 ASN HD21 H 7.56 0.02 1 541 176 96 ASN HD22 H 6.88 0.02 1 542 176 96 ASN CA C 56.49 0.25 1 543 176 96 ASN N N 117.32 0.15 1 544 176 96 ASN ND2 N 112.56 0.15 1 545 177 97 ASN H H 8.59 0.02 1 546 177 97 ASN HA H 4.56 0.02 1 547 177 97 ASN HB2 H 2.91 0.02 2 548 177 97 ASN HB3 H 3.14 0.02 2 549 177 97 ASN HD21 H 7.15 0.02 1 550 177 97 ASN HD22 H 7.65 0.02 1 551 177 97 ASN CA C 56.16 0.25 1 552 177 97 ASN N N 118.47 0.15 1 553 177 97 ASN ND2 N 111.75 0.15 1 554 178 98 PHE H H 8.41 0.02 1 555 178 98 PHE HA H 4.21 0.02 1 556 178 98 PHE HB2 H 2.63 0.02 2 557 178 98 PHE HB3 H 3.12 0.02 2 558 178 98 PHE HD1 H 6.66 0.02 3 559 178 98 PHE HD2 H 6.66 0.02 3 560 178 98 PHE HE1 H 7.82 0.02 3 561 178 98 PHE HE2 H 7.82 0.02 3 562 178 98 PHE HZ H 7.23 0.02 1 563 178 98 PHE N N 121.17 0.15 1 564 179 99 VAL H H 8.90 0.02 1 565 179 99 VAL HA H 3.43 0.02 1 566 179 99 VAL HB H 2.20 0.02 1 567 179 99 VAL HG1 H 1.04 0.02 1 568 179 99 VAL HG2 H 1.04 0.02 1 569 179 99 VAL CA C 67.69 0.25 1 570 179 99 VAL N N 120.33 0.15 1 571 180 100 HIS H H 8.37 0.02 1 572 180 100 HIS HA H 4.31 0.02 1 573 180 100 HIS HB2 H 3.35 0.02 2 574 180 100 HIS HB3 H 3.30 0.02 2 575 180 100 HIS CA C 59.33 0.25 1 576 180 100 HIS N N 116.64 0.15 1 577 181 101 ASP H H 7.48 0.02 1 578 181 101 ASP HA H 4.55 0.02 1 579 181 101 ASP HB2 H 2.93 0.02 1 580 181 101 ASP HB3 H 2.93 0.02 1 581 181 101 ASP CA C 57.17 0.25 1 582 181 101 ASP N N 118.49 0.15 1 583 182 102 CYS H H 8.08 0.02 1 584 182 102 CYS HA H 4.68 0.02 1 585 182 102 CYS HB2 H 2.92 0.02 2 586 182 102 CYS HB3 H 3.23 0.02 2 587 182 102 CYS CA C 58.46 0.25 1 588 182 102 CYS N N 119.32 0.15 1 589 183 103 VAL H H 9.17 0.02 1 590 183 103 VAL HA H 3.65 0.02 1 591 183 103 VAL HB H 2.12 0.02 1 592 183 103 VAL HG1 H 1.05 0.02 2 593 183 103 VAL HG2 H 0.93 0.02 2 594 183 103 VAL CA C 66.41 0.25 1 595 183 103 VAL N N 124.48 0.15 1 596 184 104 ASN H H 7.64 0.02 1 597 184 104 ASN HA H 4.28 0.02 1 598 184 104 ASN HB2 H 2.84 0.02 2 599 184 104 ASN HB3 H 2.77 0.02 2 600 184 104 ASN HD21 H 6.75 0.02 1 601 184 104 ASN HD22 H 7.64 0.02 1 602 184 104 ASN CA C 56.65 0.25 1 603 184 104 ASN N N 116.53 0.15 1 604 184 104 ASN ND2 N 111.96 0.15 1 605 185 105 ILE H H 8.63 0.02 1 606 185 105 ILE HA H 3.71 0.02 1 607 185 105 ILE HB H 1.54 0.02 1 608 185 105 ILE HG12 H 0.85 0.02 2 609 185 105 ILE HG13 H 0.83 0.02 2 610 185 105 ILE HG2 H 0.21 0.02 1 611 185 105 ILE HD1 H 0.37 0.02 1 612 185 105 ILE CA C 62.26 0.25 1 613 185 105 ILE N N 117.85 0.15 1 614 186 106 THR H H 8.11 0.02 1 615 186 106 THR HA H 4.02 0.02 1 616 186 106 THR HB H 4.49 0.02 1 617 186 106 THR HG2 H 1.53 0.02 1 618 186 106 THR CA C 68.82 0.25 1 619 186 106 THR N N 117.98 0.15 1 620 187 107 VAL H H 8.70 0.02 1 621 187 107 VAL HA H 3.58 0.02 1 622 187 107 VAL HB H 2.24 0.02 1 623 187 107 VAL HG1 H 0.91 0.02 2 624 187 107 VAL HG2 H 0.99 0.02 2 625 187 107 VAL CA C 67.78 0.25 1 626 187 107 VAL N N 120.32 0.15 1 627 188 108 LYS H H 7.79 0.02 1 628 188 108 LYS HA H 4.01 0.02 1 629 188 108 LYS HB2 H 1.82 0.02 2 630 188 108 LYS HB3 H 1.91 0.02 2 631 188 108 LYS HG2 H 1.50 0.02 2 632 188 108 LYS HG3 H 1.47 0.02 2 633 188 108 LYS CA C 59.67 0.25 1 634 188 108 LYS N N 120.35 0.15 1 635 189 109 GLN H H 8.14 0.02 1 636 189 109 GLN HA H 3.99 0.02 1 637 189 109 GLN HB2 H 2.12 0.02 2 638 189 109 GLN HB3 H 1.93 0.02 2 639 189 109 GLN HG3 H 1.82 0.02 1 640 189 109 GLN HE21 H 6.70 0.02 1 641 189 109 GLN HE22 H 6.72 0.02 1 642 189 109 GLN CA C 57.15 0.25 1 643 189 109 GLN N N 115.39 0.15 1 644 189 109 GLN NE2 N 110.66 0.15 1 645 190 110 HIS H H 7.80 0.02 1 646 190 110 HIS HA H 4.56 0.02 1 647 190 110 HIS HB2 H 3.21 0.02 2 648 190 110 HIS HB3 H 3.28 0.02 2 649 190 110 HIS CA C 58.10 0.25 1 650 190 110 HIS N N 116.80 0.15 1 651 191 111 THR H H 7.91 0.02 1 652 191 111 THR HA H 4.36 0.02 1 653 191 111 THR HG2 H 1.12 0.02 1 654 191 111 THR CA C 62.96 0.25 1 655 191 111 THR N N 110.42 0.15 1 656 192 112 VAL H H 7.61 0.02 1 657 192 112 VAL HA H 4.17 0.02 1 658 192 112 VAL HB H 2.21 0.02 1 659 192 112 VAL HG1 H 0.94 0.02 1 660 192 112 VAL HG2 H 0.94 0.02 1 661 192 112 VAL CA C 63.09 0.25 1 662 192 112 VAL N N 119.65 0.15 1 663 197 113 LYS H H 7.92 0.02 1 664 197 113 LYS HA H 4.29 0.02 1 665 197 113 LYS HB2 H 1.81 0.02 2 666 197 113 LYS HB3 H 1.88 0.02 2 667 197 113 LYS HG3 H 1.50 0.02 1 668 197 113 LYS CA C 56.85 0.25 1 669 197 113 LYS N N 121.50 0.15 1 670 198 114 GLY H H 8.15 0.02 1 671 198 114 GLY HA2 H 3.84 0.02 2 672 198 114 GLY HA3 H 4.00 0.02 2 673 198 114 GLY CA C 45.60 0.25 1 674 198 114 GLY N N 108.97 0.15 1 675 199 115 GLU H H 8.00 0.02 1 676 199 115 GLU HA H 4.21 0.02 1 677 199 115 GLU HB2 H 1.71 0.02 1 678 199 115 GLU HB3 H 1.71 0.02 1 679 199 115 GLU HG2 H 2.11 0.02 2 680 199 115 GLU HG3 H 2.20 0.02 2 681 199 115 GLU CA C 56.32 0.25 1 682 199 115 GLU N N 119.48 0.15 1 683 200 116 ASN H H 8.41 0.02 1 684 200 116 ASN HA H 4.58 0.02 1 685 200 116 ASN HB2 H 2.62 0.02 2 686 200 116 ASN HB3 H 2.72 0.02 2 687 200 116 ASN HD21 H 7.52 0.02 1 688 200 116 ASN HD22 H 6.82 0.02 1 689 200 116 ASN CA C 53.26 0.25 1 690 200 116 ASN N N 118.43 0.15 1 691 200 116 ASN ND2 N 112.75 0.15 1 692 201 117 PHE H H 8.27 0.02 1 693 201 117 PHE HA H 5.16 0.02 1 694 201 117 PHE HB2 H 2.98 0.02 2 695 201 117 PHE HB3 H 3.16 0.02 2 696 201 117 PHE HD1 H 7.31 0.02 3 697 201 117 PHE HD2 H 7.31 0.02 3 698 201 117 PHE HE1 H 7.35 0.02 3 699 201 117 PHE HE2 H 7.35 0.02 3 700 201 117 PHE HZ H 7.42 0.02 1 701 201 117 PHE CA C 57.01 0.25 1 702 201 117 PHE N N 120.55 0.15 1 703 202 118 THR H H 9.65 0.02 1 704 202 118 THR HA H 4.64 0.02 1 705 202 118 THR HB H 4.82 0.02 1 706 202 118 THR HG2 H 1.41 0.02 1 707 202 118 THR CA C 60.42 0.25 1 708 202 118 THR N N 115.55 0.15 1 709 203 119 GLU H H 9.09 0.02 1 710 203 119 GLU HA H 4.03 0.02 1 711 203 119 GLU HB2 H 2.11 0.02 2 712 203 119 GLU HB3 H 2.06 0.02 2 713 203 119 GLU HG2 H 2.31 0.02 2 714 203 119 GLU HG3 H 2.39 0.02 2 715 203 119 GLU CA C 60.00 0.25 1 716 203 119 GLU N N 119.81 0.15 1 717 204 120 THR H H 7.94 0.02 1 718 204 120 THR HA H 3.78 0.02 1 719 204 120 THR HB H 3.70 0.02 1 720 204 120 THR HG2 H 0.64 0.02 1 721 204 120 THR CA C 66.76 0.25 1 722 204 120 THR N N 116.25 0.15 1 723 205 121 ASP H H 7.53 0.02 1 724 205 121 ASP HA H 4.53 0.02 1 725 205 121 ASP HB2 H 2.62 0.02 2 726 205 121 ASP HB3 H 3.41 0.02 2 727 205 121 ASP CA C 58.19 0.25 1 728 205 121 ASP N N 119.35 0.15 1 729 206 122 ILE H H 8.09 0.02 1 730 206 122 ILE HA H 3.44 0.02 1 731 206 122 ILE HB H 1.94 0.02 1 732 206 122 ILE HG12 H 1.56 0.02 2 733 206 122 ILE HG13 H 1.25 0.02 2 734 206 122 ILE HG2 H 0.83 0.02 1 735 206 122 ILE HD1 H 0.72 0.02 1 736 206 122 ILE CA C 64.70 0.25 1 737 206 122 ILE N N 118.97 0.15 1 738 207 123 LYS H H 7.73 0.02 1 739 207 123 LYS HA H 4.04 0.02 1 740 207 123 LYS HB2 H 1.84 0.02 2 741 207 123 LYS HB3 H 1.93 0.02 2 742 207 123 LYS HG2 H 1.57 0.02 2 743 207 123 LYS HG3 H 1.40 0.02 2 744 207 123 LYS HD2 H 1.65 0.02 1 745 207 123 LYS CA C 59.27 0.25 1 746 207 123 LYS N N 119.45 0.15 1 747 208 124 ILE H H 7.95 0.02 1 748 208 124 ILE HA H 3.59 0.02 1 749 208 124 ILE HB H 1.90 0.02 1 750 208 124 ILE HG13 H 1.57 0.02 1 751 208 124 ILE HG2 H 0.73 0.02 1 752 208 124 ILE HD1 H 0.66 0.02 1 753 208 124 ILE CA C 65.15 0.25 1 754 208 124 ILE N N 119.71 0.15 1 755 209 125 MET H H 8.86 0.02 1 756 209 125 MET HA H 3.45 0.02 1 757 209 125 MET HB2 H 1.89 0.02 2 758 209 125 MET HB3 H 1.88 0.02 2 759 209 125 MET HG2 H 2.03 0.02 1 760 209 125 MET HG3 H 2.03 0.02 1 761 209 125 MET CA C 60.01 0.25 1 762 209 125 MET N N 119.25 0.15 1 763 210 126 GLU H H 8.53 0.02 1 764 210 126 GLU HA H 3.61 0.02 1 765 210 126 GLU HB2 H 2.17 0.02 2 766 210 126 GLU HB3 H 1.98 0.02 2 767 210 126 GLU HG2 H 2.56 0.02 2 768 210 126 GLU HG3 H 2.17 0.02 2 769 210 126 GLU CA C 60.73 0.25 1 770 210 126 GLU N N 117.31 0.15 1 771 211 127 ARG H H 7.19 0.02 1 772 211 127 ARG HA H 4.15 0.02 1 773 211 127 ARG HB2 H 2.04 0.02 2 774 211 127 ARG HB3 H 1.91 0.02 2 775 211 127 ARG HG2 H 1.80 0.02 2 776 211 127 ARG HG3 H 1.67 0.02 2 777 211 127 ARG CA C 58.55 0.25 1 778 211 127 ARG N N 117.84 0.15 1 779 212 128 VAL H H 8.29 0.02 1 780 212 128 VAL HA H 3.47 0.02 1 781 212 128 VAL HB H 2.06 0.02 1 782 212 128 VAL HG1 H 1.00 0.02 2 783 212 128 VAL HG2 H 1.07 0.02 2 784 212 128 VAL CA C 66.32 0.25 1 785 212 128 VAL N N 120.27 0.15 1 786 213 129 VAL H H 9.09 0.02 1 787 213 129 VAL HA H 3.62 0.02 1 788 213 129 VAL HB H 2.18 0.02 1 789 213 129 VAL HG1 H 0.92 0.02 2 790 213 129 VAL HG2 H 1.20 0.02 2 791 213 129 VAL CA C 66.23 0.25 1 792 213 129 VAL N N 119.29 0.15 1 793 214 130 GLU H H 8.06 0.02 1 794 214 130 GLU HA H 3.54 0.02 1 795 214 130 GLU HB2 H 2.19 0.02 2 796 214 130 GLU HB3 H 2.13 0.02 2 797 214 130 GLU HG3 H 2.06 0.02 1 798 214 130 GLU CA C 61.01 0.25 1 799 214 130 GLU N N 121.24 0.15 1 800 215 131 GLN H H 7.11 0.02 1 801 215 131 GLN HA H 3.94 0.02 1 802 215 131 GLN HB2 H 2.19 0.02 2 803 215 131 GLN HB3 H 2.10 0.02 2 804 215 131 GLN HG2 H 2.34 0.02 2 805 215 131 GLN HG3 H 2.44 0.02 2 806 215 131 GLN HE21 H 6.88 0.02 1 807 215 131 GLN HE22 H 7.59 0.02 1 808 215 131 GLN CA C 58.59 0.25 1 809 215 131 GLN N N 114.67 0.15 1 810 215 131 GLN NE2 N 114.01 0.15 1 811 216 132 MET H H 7.93 0.02 1 812 216 132 MET HA H 4.12 0.02 1 813 216 132 MET HB2 H 2.12 0.02 2 814 216 132 MET HB3 H 2.19 0.02 2 815 216 132 MET HG2 H 2.44 0.02 2 816 216 132 MET HG3 H 2.72 0.02 2 817 216 132 MET CA C 59.80 0.25 1 818 216 132 MET N N 119.42 0.15 1 819 217 133 CYS H H 9.29 0.02 1 820 217 133 CYS HA H 4.36 0.02 1 821 217 133 CYS HB2 H 3.53 0.02 2 822 217 133 CYS HB3 H 2.84 0.02 2 823 217 133 CYS CA C 59.83 0.25 1 824 217 133 CYS N N 119.18 0.15 1 825 218 134 ILE H H 8.29 0.02 1 826 218 134 ILE HA H 3.48 0.02 1 827 218 134 ILE HB H 1.97 0.02 1 828 218 134 ILE HG2 H 0.84 0.02 1 829 218 134 ILE HD1 H 0.81 0.02 1 830 218 134 ILE CA C 66.76 0.25 1 831 218 134 ILE N N 123.83 0.15 1 832 219 135 THR H H 8.04 0.02 1 833 219 135 THR HA H 3.88 0.02 1 834 219 135 THR HB H 4.31 0.02 1 835 219 135 THR HG2 H 1.20 0.02 1 836 219 135 THR CA C 67.27 0.25 1 837 219 135 THR N N 118.51 0.15 1 838 220 136 GLN H H 8.80 0.02 1 839 220 136 GLN HA H 3.62 0.02 1 840 220 136 GLN HB2 H 2.06 0.02 2 841 220 136 GLN HB3 H 2.28 0.02 2 842 220 136 GLN HG3 H 1.60 0.02 1 843 220 136 GLN HE21 H 7.30 0.02 1 844 220 136 GLN HE22 H 6.74 0.02 1 845 220 136 GLN CA C 58.57 0.25 1 846 220 136 GLN N N 122.47 0.15 1 847 220 136 GLN NE2 N 115.32 0.15 1 848 221 137 TYR H H 8.58 0.02 1 849 221 137 TYR HA H 2.88 0.02 1 850 221 137 TYR HB2 H 2.68 0.02 2 851 221 137 TYR HB3 H 2.98 0.02 2 852 221 137 TYR HD1 H 6.14 0.02 3 853 221 137 TYR HD2 H 6.14 0.02 3 854 221 137 TYR HE1 H 6.53 0.02 3 855 221 137 TYR HE2 H 6.53 0.02 3 856 221 137 TYR CA C 62.15 0.25 1 857 221 137 TYR N N 120.71 0.15 1 858 222 138 GLN H H 8.19 0.02 1 859 222 138 GLN HA H 3.70 0.02 1 860 222 138 GLN HB2 H 2.03 0.02 2 861 222 138 GLN HB3 H 2.32 0.02 2 862 222 138 GLN HG2 H 2.44 0.02 2 863 222 138 GLN HG3 H 2.68 0.02 2 864 222 138 GLN HE21 H 7.38 0.02 1 865 222 138 GLN HE22 H 6.80 0.02 1 866 222 138 GLN CA C 59.08 0.25 1 867 222 138 GLN N N 119.94 0.15 1 868 222 138 GLN NE2 N 110.74 0.15 1 869 223 139 ARG H H 8.04 0.02 1 870 223 139 ARG HA H 3.95 0.02 1 871 223 139 ARG HB2 H 1.82 0.02 1 872 223 139 ARG HG3 H 1.59 0.02 1 873 223 139 ARG CA C 59.29 0.25 1 874 223 139 ARG N N 119.01 0.15 1 875 224 140 GLU H H 8.30 0.02 1 876 224 140 GLU HA H 4.00 0.02 1 877 224 140 GLU HB2 H 1.58 0.02 2 878 224 140 GLU HB3 H 2.13 0.02 2 879 224 140 GLU HG2 H 2.35 0.02 2 880 224 140 GLU HG3 H 2.13 0.02 2 881 224 140 GLU CA C 57.72 0.25 1 882 224 140 GLU N N 117.73 0.15 1 883 225 141 SER H H 8.30 0.02 1 884 225 141 SER HA H 3.94 0.02 1 885 225 141 SER HB2 H 3.54 0.02 2 886 225 141 SER HB3 H 3.33 0.02 2 887 225 141 SER CA C 61.08 0.25 1 888 225 141 SER N N 115.01 0.15 1 889 226 142 GLN H H 7.61 0.02 1 890 226 142 GLN HA H 4.12 0.02 1 891 226 142 GLN HB2 H 2.08 0.02 1 892 226 142 GLN HB3 H 2.08 0.02 1 893 226 142 GLN HG2 H 2.45 0.02 2 894 226 142 GLN HG3 H 2.36 0.02 2 895 226 142 GLN HE21 H 6.79 0.02 1 896 226 142 GLN HE22 H 7.56 0.02 1 897 226 142 GLN CA C 57.90 0.25 1 898 226 142 GLN N N 120.36 0.15 1 899 226 142 GLN NE2 N 112.67 0.15 1 900 227 143 ALA H H 7.59 0.02 1 901 227 143 ALA HA H 4.14 0.02 1 902 227 143 ALA HB H 1.37 0.02 1 903 227 143 ALA CA C 53.87 0.25 1 904 227 143 ALA N N 120.99 0.15 1 905 228 144 TYR H H 7.91 0.02 1 906 228 144 TYR HA H 4.21 0.02 1 907 228 144 TYR HB2 H 2.80 0.02 2 908 228 144 TYR HB3 H 2.93 0.02 2 909 228 144 TYR HD1 H 6.73 0.02 3 910 228 144 TYR HD2 H 6.73 0.02 3 911 228 144 TYR HE1 H 6.69 0.02 3 912 228 144 TYR HE2 H 6.69 0.02 3 913 228 144 TYR CA C 59.88 0.25 1 914 228 144 TYR N N 118.64 0.15 1 915 229 145 TYR H H 7.86 0.02 1 916 229 145 TYR HA H 4.34 0.02 1 917 229 145 TYR HB2 H 3.11 0.02 2 918 229 145 TYR HB3 H 2.93 0.02 2 919 229 145 TYR HD1 H 7.17 0.02 3 920 229 145 TYR HD2 H 7.17 0.02 3 921 229 145 TYR HE1 H 6.83 0.02 3 922 229 145 TYR HE2 H 6.83 0.02 3 923 229 145 TYR CA C 59.08 0.25 1 924 229 145 TYR N N 118.59 0.15 1 925 230 146 GLN H H 7.91 0.02 1 926 230 146 GLN HA H 4.21 0.02 1 927 230 146 GLN HB2 H 2.02 0.02 2 928 230 146 GLN HB3 H 2.10 0.02 2 929 230 146 GLN HG2 H 2.34 0.02 2 930 230 146 GLN HG3 H 2.34 0.02 2 931 230 146 GLN HE21 H 6.81 0.02 1 932 230 146 GLN HE22 H 7.46 0.02 1 933 230 146 GLN CA C 56.23 0.25 1 934 230 146 GLN N N 119.83 0.15 1 935 230 146 GLN NE2 N 111.92 0.15 1 936 231 147 ARG H H 7.97 0.02 1 937 231 147 ARG HA H 4.22 0.02 1 938 231 147 ARG HB2 H 1.84 0.02 2 939 231 147 ARG HB3 H 1.78 0.02 2 940 231 147 ARG HG2 H 1.64 0.02 1 941 231 147 ARG HG3 H 1.64 0.02 1 942 231 147 ARG CA C 56.72 0.25 1 943 231 147 ARG N N 120.87 0.15 1 944 232 148 GLY HA2 H 3.92 0.02 1 945 232 148 GLY HA3 H 3.92 0.02 1 946 232 148 GLY CA C 45.09 0.25 1 947 232 148 GLY N N 109.49 0.15 1 948 233 149 ALA H H 8.07 0.02 1 949 233 149 ALA HA H 4.34 0.02 1 950 233 149 ALA HB H 1.37 0.02 1 951 233 149 ALA CA C 52.33 0.25 1 952 233 149 ALA N N 124.10 0.15 1 953 234 150 SER H H 7.91 0.02 1 954 234 150 SER HA H 4.25 0.02 1 955 234 150 SER HB2 H 3.83 0.02 1 956 234 150 SER HB3 H 3.83 0.02 1 957 234 150 SER CA C 59.89 0.25 1 958 234 150 SER N N 120.59 0.15 1 stop_ save_