data_15394 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of rabbit prion protein mutation S173N ; _BMRB_accession_number 15394 _BMRB_flat_file_name bmr15394.str _Entry_type original _Submission_date 2007-07-19 _Accession_date 2007-07-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Jun . . 2 Lin Donghai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 607 "13C chemical shifts" 317 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-15 original author . stop_ _Original_release_date 2010-11-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Unique structural characteristics of the rabbit prion protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20639199 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wen Yi . . 2 Li Jun . . 3 Yao Wenming . . 4 Xiong Minqian . . 5 Hong Jing . . 6 Peng Yu . . 7 Xiao Gengfu . . 8 Lin Donghai . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 41 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 31682 _Page_last 31693 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'rpp mutation S173N' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'single chain polymers' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'rpp mutation S173N' _Molecular_mass 12512.979 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; QGGTHNQWGKPSKPKTSMKH VAPAAAAGAVVGGLGGYMLG SAMSRPLIHFGNDYEDRYYR ENMYRYPNQVYYRPVDQYSN QNNFVHDCVNITVKQHTVTT TTKGENFTETDIKIMERVVE QMCITQYQQESQAAYQRA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 91 GLN 2 92 GLY 3 93 GLY 4 94 THR 5 95 HIS 6 96 ASN 7 97 GLN 8 98 TRP 9 99 GLY 10 100 LYS 11 101 PRO 12 102 SER 13 103 LYS 14 104 PRO 15 105 LYS 16 106 THR 17 107 SER 18 108 MET 19 109 LYS 20 110 HIS 21 111 VAL 22 112 ALA 23 113 PRO 24 114 ALA 25 115 ALA 26 116 ALA 27 117 ALA 28 118 GLY 29 119 ALA 30 120 VAL 31 121 VAL 32 122 GLY 33 123 GLY 34 124 LEU 35 125 GLY 36 126 GLY 37 127 TYR 38 128 MET 39 129 LEU 40 130 GLY 41 131 SER 42 132 ALA 43 133 MET 44 134 SER 45 135 ARG 46 136 PRO 47 137 LEU 48 138 ILE 49 139 HIS 50 140 PHE 51 141 GLY 52 142 ASN 53 143 ASP 54 144 TYR 55 145 GLU 56 146 ASP 57 147 ARG 58 148 TYR 59 149 TYR 60 150 ARG 61 151 GLU 62 152 ASN 63 153 MET 64 154 TYR 65 155 ARG 66 156 TYR 67 157 PRO 68 158 ASN 69 159 GLN 70 160 VAL 71 161 TYR 72 162 TYR 73 163 ARG 74 164 PRO 75 165 VAL 76 166 ASP 77 167 GLN 78 168 TYR 79 169 SER 80 170 ASN 81 171 GLN 82 172 ASN 83 173 ASN 84 174 PHE 85 175 VAL 86 176 HIS 87 177 ASP 88 178 CYS 89 179 VAL 90 180 ASN 91 181 ILE 92 182 THR 93 183 VAL 94 184 LYS 95 185 GLN 96 186 HIS 97 187 THR 98 188 VAL 99 189 THR 100 190 THR 101 191 THR 102 192 THR 103 193 LYS 104 194 GLY 105 195 GLU 106 196 ASN 107 197 PHE 108 198 THR 109 199 GLU 110 200 THR 111 201 ASP 112 202 ILE 113 203 LYS 114 204 ILE 115 205 MET 116 206 GLU 117 207 ARG 118 208 VAL 119 209 VAL 120 210 GLU 121 211 GLN 122 212 MET 123 213 CYS 124 214 ILE 125 215 THR 126 216 GLN 127 217 TYR 128 218 GLN 129 219 GLN 130 220 GLU 131 221 SER 132 222 GLN 133 223 ALA 134 224 ALA 135 225 TYR 136 226 GLN 137 227 ARG 138 228 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 15399 "rpp I214V" 100.00 138 97.83 99.28 1.47e-96 BMRB 16328 prion_protein 100.00 145 99.28 99.28 2.58e-97 BMRB 16616 prion 100.00 145 97.83 99.28 2.37e-96 PDB 1TQB "Ovine Recombinant Prp(114-234), Vrq Variant In Complex With The Fab Of The Vrq14 Antibody" 73.19 102 98.02 99.01 1.91e-67 PDB 1TQC "Ovine Recombinant Prp(114-234), Arr Variant In Complex With The Vrq14 Fab Fragment (Igg2a)" 73.19 102 98.02 100.00 1.57e-67 PDB 2FJ3 "Nmr Solution Of Rabbit Prion Protein (91-228)" 100.00 138 98.55 99.28 8.35e-97 PDB 2JOH "Nmr Structure Of Rabbit Prion Protein Mutation S173n" 100.00 148 99.28 99.28 1.99e-97 PDB 2JOM "Nmr Structure Of Rabbit Prion Protein Mutation I214v" 100.00 148 97.83 99.28 1.40e-96 PDB 3O79 "Crystal Structure Of Wild-Type Rabbit Prp 126-230" 75.36 105 99.04 100.00 1.54e-70 EMBL CBK44083 "prnp [Sciurus lis]" 93.48 180 96.90 99.22 6.70e-88 GB AAC48697 "major prion protein [Oryctolagus cuniculus]" 100.00 252 98.55 99.28 6.89e-95 GB AAD01554 "prion protein [Oryctolagus cuniculus]" 99.28 254 98.54 99.27 3.27e-94 GB AAQ81748 "prion protein [Ovis aries]" 50.72 70 97.14 100.00 8.62e-43 GB AAQ81756 "prion protein [Ovis aries]" 50.72 70 97.14 100.00 4.40e-43 GB ABL75505 "prion protein, partial [Oryctolagus cuniculus]" 100.00 244 98.55 99.28 6.24e-95 REF NP_001075490 "major prion protein precursor [Oryctolagus cuniculus]" 99.28 254 98.54 99.27 3.27e-94 REF XP_008254357 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 100.00 252 98.55 99.28 6.89e-95 REF XP_008254358 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 100.00 252 98.55 99.28 6.89e-95 SP Q95211 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 252 98.55 99.28 6.89e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus 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 . pET-30a(+) 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.8 1 '[U-13C; U-15N]' 'sodium acetate' 20 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.8 1 [U-15N] 'sodium acetate' 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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 pH 4.5 . pH pressure 1 . atm temperature 298.13 . 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 carbon' ppm 0 internal indirect . . . 1 DSS H 1 'methyl protons' ppm 0 internal indirect . . . 1 DSS N 15 nitrogen ppm 0 internal indirect . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' 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 'single chain polymers' _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 92 2 GLY H H 8.610 0.000 1 2 92 2 GLY N N 111.372 0.000 1 3 94 4 THR H H 8.107 0.000 1 4 94 4 THR N N 113.143 0.000 1 5 95 5 HIS H H 8.571 0.000 1 6 95 5 HIS HA H 4.567 0.007 1 7 95 5 HIS HD2 H 7.121 0.000 1 8 95 5 HIS CA C 56.080 0.000 1 9 95 5 HIS N N 120.521 0.000 1 10 96 6 ASN H H 8.395 0.000 1 11 96 6 ASN N N 119.835 0.000 1 12 97 7 GLN H H 8.362 0.000 1 13 97 7 GLN N N 120.654 0.000 1 14 98 8 TRP H H 8.120 0.000 1 15 98 8 TRP HA H 4.708 0.008 1 16 98 8 TRP HB2 H 3.222 0.000 1 17 98 8 TRP HB3 H 3.348 0.000 1 18 98 8 TRP CA C 57.044 0.000 1 19 98 8 TRP N N 121.752 0.000 1 20 99 9 GLY H H 8.175 0.002 1 21 99 9 GLY HA2 H 3.824 0.008 1 22 99 9 GLY HA3 H 3.824 0.008 1 23 99 9 GLY N N 110.149 0.007 1 24 100 10 LYS H H 8.040 0.000 1 25 100 10 LYS N N 121.740 0.000 1 26 102 12 SER HA H 4.415 0.000 1 27 103 13 LYS H H 8.314 0.002 1 28 103 13 LYS HD2 H 1.698 0.000 2 29 103 13 LYS HD3 H 1.698 0.000 2 30 103 13 LYS N N 124.116 0.020 1 31 105 15 LYS H H 8.530 0.000 1 32 105 15 LYS N N 122.181 0.000 1 33 106 16 THR H H 8.133 0.000 1 34 106 16 THR N N 115.454 0.000 1 35 107 17 SER H H 8.380 0.000 1 36 107 17 SER N N 118.241 0.000 1 37 108 18 MET H H 8.404 0.000 1 38 108 18 MET HA H 4.479 0.001 1 39 108 18 MET HB2 H 2.048 0.000 2 40 108 18 MET HG2 H 2.521 0.000 2 41 108 18 MET CA C 55.354 0.003 1 42 108 18 MET N N 122.839 0.000 1 43 109 19 LYS H H 8.285 0.000 1 44 109 19 LYS N N 122.726 0.000 1 45 110 20 HIS H H 8.576 0.000 1 46 110 20 HIS N N 120.757 0.000 1 47 111 21 VAL H H 8.226 0.000 1 48 111 21 VAL N N 122.888 0.000 1 49 112 22 ALA H H 8.469 0.000 1 50 112 22 ALA N N 128.392 0.000 1 51 114 24 ALA H H 8.150 0.000 1 52 114 24 ALA HA H 4.284 0.007 1 53 114 24 ALA CA C 52.389 0.026 1 54 114 24 ALA N N 123.854 0.000 1 55 115 25 ALA H H 8.289 0.000 1 56 115 25 ALA N N 123.356 0.000 1 57 116 26 ALA H H 8.200 0.000 1 58 116 26 ALA N N 123.416 0.000 1 59 117 27 ALA H H 8.223 0.000 1 60 117 27 ALA N N 123.360 0.000 1 61 118 28 GLY CA C 45.125 0.000 1 62 119 29 ALA H H 8.044 0.002 1 63 119 29 ALA CA C 52.362 0.002 1 64 119 29 ALA CB C 19.409 0.000 1 65 119 29 ALA N N 123.582 0.018 1 66 120 30 VAL H H 8.117 0.001 1 67 120 30 VAL HA H 4.122 0.011 1 68 120 30 VAL HB H 2.008 0.007 1 69 120 30 VAL HG1 H 0.871 0.000 1 70 120 30 VAL HG2 H 0.871 0.000 1 71 120 30 VAL CA C 62.168 0.069 1 72 120 30 VAL CB C 32.749 0.078 1 73 120 30 VAL CG1 C 20.985 0.000 1 74 120 30 VAL CG2 C 20.985 0.000 1 75 120 30 VAL N N 119.682 0.020 1 76 121 31 VAL H H 8.261 0.002 1 77 121 31 VAL HA H 4.085 0.007 1 78 121 31 VAL HB H 2.013 0.006 1 79 121 31 VAL HG1 H 0.891 0.003 2 80 121 31 VAL HG2 H 0.884 0.000 2 81 121 31 VAL CA C 62.382 0.193 1 82 121 31 VAL CB C 32.554 0.000 1 83 121 31 VAL CG1 C 20.948 0.000 1 84 121 31 VAL CG2 C 20.948 0.000 1 85 121 31 VAL N N 124.665 0.044 1 86 122 32 GLY H H 8.538 0.016 1 87 122 32 GLY HA2 H 3.939 0.006 1 88 122 32 GLY HA3 H 3.939 0.006 1 89 122 32 GLY CA C 45.234 0.077 1 90 122 32 GLY N N 113.248 0.103 1 91 123 33 GLY HA2 H 3.949 0.013 1 92 123 33 GLY HA3 H 3.949 0.013 1 93 123 33 GLY CA C 45.351 0.000 1 94 124 34 LEU H H 8.212 0.005 1 95 124 34 LEU HA H 4.338 0.010 1 96 124 34 LEU HB2 H 1.555 0.017 1 97 124 34 LEU HB3 H 1.506 0.011 1 98 124 34 LEU HD1 H 0.621 0.018 1 99 124 34 LEU HD2 H 0.523 0.008 1 100 124 34 LEU HG H 1.480 0.025 1 101 124 34 LEU CA C 54.901 0.065 1 102 124 34 LEU CB C 42.405 0.011 1 103 124 34 LEU CD1 C 24.636 0.022 1 104 124 34 LEU CD2 C 23.413 0.011 1 105 124 34 LEU CG C 26.868 0.076 1 106 124 34 LEU N N 121.618 0.032 1 107 125 35 GLY H H 8.517 0.005 1 108 125 35 GLY HA2 H 3.918 0.022 2 109 125 35 GLY CA C 46.319 0.003 1 110 125 35 GLY N N 109.787 0.036 1 111 126 36 GLY H H 8.370 0.004 1 112 126 36 GLY HA2 H 3.764 0.005 1 113 126 36 GLY HA3 H 3.892 0.012 1 114 126 36 GLY CA C 45.131 0.000 1 115 126 36 GLY N N 109.257 0.030 1 116 127 37 TYR H H 7.768 0.020 1 117 127 37 TYR HA H 4.407 0.006 1 118 127 37 TYR HB2 H 2.869 0.015 1 119 127 37 TYR HB3 H 2.926 0.016 1 120 127 37 TYR HD1 H 6.846 0.020 3 121 127 37 TYR CA C 58.272 0.046 1 122 127 37 TYR CB C 39.964 0.080 1 123 127 37 TYR N N 117.928 0.038 1 124 128 38 MET H H 9.092 0.006 1 125 128 38 MET HA H 4.497 0.026 1 126 128 38 MET HB2 H 1.586 0.008 1 127 128 38 MET HB3 H 1.020 0.013 1 128 128 38 MET HE H 1.972 0.006 1 129 128 38 MET HG2 H 2.205 0.020 1 130 128 38 MET HG3 H 2.004 0.006 1 131 128 38 MET CA C 53.662 0.157 1 132 128 38 MET CB C 34.445 0.106 1 133 128 38 MET CE C 17.179 0.051 1 134 128 38 MET CG C 31.817 0.020 1 135 128 38 MET N N 121.380 0.028 1 136 129 39 LEU H H 8.047 0.006 1 137 129 39 LEU HA H 4.521 0.018 1 138 129 39 LEU HB2 H 1.614 0.019 1 139 129 39 LEU HB3 H 0.995 0.006 1 140 129 39 LEU HD1 H 0.605 0.008 1 141 129 39 LEU HD2 H -0.009 0.003 1 142 129 39 LEU HG H 1.402 0.017 1 143 129 39 LEU CA C 53.282 0.020 1 144 129 39 LEU CB C 43.596 0.053 1 145 129 39 LEU CD1 C 25.660 0.087 1 146 129 39 LEU CD2 C 21.819 0.000 1 147 129 39 LEU CG C 25.886 0.063 1 148 129 39 LEU N N 121.425 0.094 1 149 130 40 GLY H H 9.334 0.007 1 150 130 40 GLY HA2 H 4.429 0.020 1 151 130 40 GLY HA3 H 4.136 0.012 1 152 130 40 GLY CA C 44.997 0.119 1 153 130 40 GLY N N 114.989 0.038 1 154 131 41 SER H H 8.343 0.007 1 155 131 41 SER HA H 4.405 0.008 1 156 131 41 SER HB2 H 3.924 0.014 1 157 131 41 SER HB3 H 3.957 0.007 1 158 131 41 SER CA C 58.540 0.060 1 159 131 41 SER CB C 63.971 0.113 1 160 131 41 SER N N 113.553 0.107 1 161 132 42 ALA H H 8.602 0.008 1 162 132 42 ALA HA H 4.385 0.009 1 163 132 42 ALA HB H 1.264 0.008 1 164 132 42 ALA CA C 52.943 0.039 1 165 132 42 ALA CB C 18.304 0.089 1 166 132 42 ALA N N 124.849 0.041 1 167 133 43 MET H H 8.823 0.010 1 168 133 43 MET HA H 4.736 0.017 1 169 133 43 MET HB2 H 2.075 0.014 1 170 133 43 MET HB3 H 1.956 0.010 1 171 133 43 MET HE H 1.896 0.017 1 172 133 43 MET HG2 H 2.448 0.013 1 173 133 43 MET HG3 H 2.526 0.013 1 174 133 43 MET CA C 53.888 0.094 1 175 133 43 MET CB C 36.668 0.130 1 176 133 43 MET CE C 16.613 0.013 1 177 133 43 MET CG C 31.218 0.044 1 178 133 43 MET N N 121.763 0.041 1 179 134 44 SER H H 8.429 0.004 1 180 134 44 SER HA H 4.339 0.009 1 181 134 44 SER HB2 H 3.717 0.026 1 182 134 44 SER HB3 H 3.806 0.026 1 183 134 44 SER CA C 58.634 0.087 1 184 134 44 SER CB C 62.999 0.089 1 185 134 44 SER N N 116.318 0.035 1 186 135 45 ARG H H 8.596 0.003 1 187 135 45 ARG HA H 4.383 0.012 1 188 135 45 ARG HB2 H 1.855 0.016 1 189 135 45 ARG HB3 H 1.807 0.002 1 190 135 45 ARG HD2 H 3.030 0.015 1 191 135 45 ARG HD3 H 3.134 0.028 1 192 135 45 ARG HG2 H 1.754 0.002 2 193 135 45 ARG CA C 54.910 0.012 1 194 135 45 ARG CB C 28.881 0.112 1 195 135 45 ARG CD C 43.923 0.031 1 196 135 45 ARG N N 126.099 0.067 1 197 136 46 PRO HA H 4.389 0.014 1 198 136 46 PRO HB2 H 2.247 0.034 1 199 136 46 PRO HB3 H 1.770 0.006 1 200 136 46 PRO HD2 H 3.813 0.032 1 201 136 46 PRO HD3 H 3.643 0.010 1 202 136 46 PRO HG2 H 1.778 0.007 1 203 136 46 PRO HG3 H 2.041 0.019 1 204 136 46 PRO CA C 62.452 0.054 1 205 136 46 PRO CB C 32.209 0.103 1 206 136 46 PRO CD C 50.632 0.060 1 207 136 46 PRO CG C 27.527 0.097 1 208 137 47 LEU H H 8.664 0.007 1 209 137 47 LEU HA H 4.556 0.011 1 210 137 47 LEU HB2 H 1.682 0.023 1 211 137 47 LEU HB3 H 1.538 0.031 1 212 137 47 LEU HD1 H 0.907 0.007 1 213 137 47 LEU HD2 H 0.870 0.006 1 214 137 47 LEU HG H 1.626 0.032 1 215 137 47 LEU CA C 54.281 0.054 1 216 137 47 LEU CB C 40.213 0.088 1 217 137 47 LEU CD1 C 24.689 0.000 1 218 137 47 LEU CD2 C 23.462 0.105 1 219 137 47 LEU CG C 27.110 0.000 1 220 137 47 LEU N N 125.044 0.053 1 221 138 48 ILE H H 6.973 0.005 1 222 138 48 ILE HA H 3.929 0.016 1 223 138 48 ILE HB H 1.149 0.034 1 224 138 48 ILE HD1 H 0.401 0.014 1 225 138 48 ILE HG12 H 0.699 0.008 1 226 138 48 ILE HG13 H 0.879 0.008 1 227 138 48 ILE HG2 H 0.036 0.003 1 228 138 48 ILE CA C 59.484 0.054 1 229 138 48 ILE CB C 39.716 0.088 1 230 138 48 ILE CD1 C 13.180 0.007 1 231 138 48 ILE CG1 C 26.634 0.034 1 232 138 48 ILE CG2 C 16.919 0.034 1 233 138 48 ILE N N 122.356 0.032 1 234 139 49 HIS H H 8.296 0.006 1 235 139 49 HIS HA H 4.929 0.010 1 236 139 49 HIS HB2 H 3.273 0.017 1 237 139 49 HIS HB3 H 2.984 0.017 1 238 139 49 HIS HD1 H 12.632 0.003 1 239 139 49 HIS HE1 H 7.252 0.000 1 240 139 49 HIS HE2 H 6.573 0.000 1 241 139 49 HIS CA C 54.177 0.072 1 242 139 49 HIS CB C 29.344 0.072 1 243 140 50 PHE H H 10.346 0.005 1 244 140 50 PHE HA H 4.217 0.028 1 245 140 50 PHE HB2 H 3.336 0.033 1 246 140 50 PHE HB3 H 2.838 0.019 1 247 140 50 PHE HD1 H 7.373 0.016 3 248 140 50 PHE HD2 H 7.373 0.016 3 249 140 50 PHE HE2 H 6.938 0.013 3 250 140 50 PHE HZ H 7.271 0.014 1 251 140 50 PHE CA C 59.802 0.164 1 252 140 50 PHE CB C 40.226 0.024 1 253 140 50 PHE N N 125.148 0.025 1 254 141 51 GLY H H 9.018 0.006 1 255 141 51 GLY HA2 H 4.114 0.001 1 256 141 51 GLY HA3 H 3.707 0.006 1 257 141 51 GLY CA C 45.750 0.037 1 258 141 51 GLY N N 108.836 0.032 1 259 142 52 ASN H H 7.228 0.007 1 260 142 52 ASN HA H 4.858 0.009 1 261 142 52 ASN HB2 H 2.793 0.036 1 262 142 52 ASN HB3 H 2.851 0.018 1 263 142 52 ASN CA C 52.634 0.069 1 264 142 52 ASN CB C 41.523 0.081 1 265 142 52 ASN N N 114.629 0.074 1 266 143 53 ASP H H 8.968 0.045 1 267 143 53 ASP HA H 4.429 0.015 1 268 143 53 ASP HB2 H 2.846 0.002 1 269 143 53 ASP HB3 H 2.718 0.004 1 270 143 53 ASP CA C 57.714 0.128 1 271 143 53 ASP CB C 41.097 0.042 1 272 143 53 ASP N N 123.768 0.045 1 273 144 54 TYR H H 8.356 0.006 1 274 144 54 TYR HA H 4.215 0.008 1 275 144 54 TYR HB2 H 3.221 0.008 1 276 144 54 TYR HB3 H 3.043 0.016 1 277 144 54 TYR HD1 H 7.080 0.008 3 278 144 54 TYR CA C 61.755 0.182 1 279 144 54 TYR CB C 37.613 0.025 1 280 144 54 TYR N N 120.110 0.055 1 281 145 55 GLU H H 8.317 0.007 1 282 145 55 GLU HA H 3.530 0.017 1 283 145 55 GLU HB2 H 1.884 0.013 1 284 145 55 GLU HB3 H 1.383 0.013 1 285 145 55 GLU HG2 H 2.469 0.018 1 286 145 55 GLU HG3 H 1.843 0.007 1 287 145 55 GLU CA C 59.786 0.013 1 288 145 55 GLU CB C 29.537 0.177 1 289 145 55 GLU CG C 37.956 0.278 1 290 145 55 GLU N N 119.541 0.079 1 291 146 56 ASP H H 8.043 0.006 1 292 146 56 ASP HA H 4.669 0.021 1 293 146 56 ASP HB2 H 2.924 0.020 1 294 146 56 ASP HB3 H 2.722 0.005 1 295 146 56 ASP CA C 58.581 0.067 1 296 146 56 ASP CB C 41.150 0.183 1 297 146 56 ASP N N 118.238 0.051 1 298 147 57 ARG H H 8.065 0.005 1 299 147 57 ARG HA H 3.999 0.009 1 300 147 57 ARG HB2 H 1.920 0.006 2 301 147 57 ARG HD2 H 3.197 0.015 2 302 147 57 ARG HG2 H 1.736 0.011 1 303 147 57 ARG HG3 H 1.541 0.034 1 304 147 57 ARG CA C 59.497 0.034 1 305 147 57 ARG CB C 29.720 0.001 1 306 147 57 ARG CG C 27.690 0.000 1 307 147 57 ARG N N 120.033 0.105 1 308 148 58 TYR H H 8.441 0.005 1 309 148 58 TYR HA H 3.843 0.012 1 310 148 58 TYR HB2 H 2.748 0.017 1 311 148 58 TYR HB3 H 2.568 0.024 1 312 148 58 TYR HD1 H 6.854 0.011 3 313 148 58 TYR HD2 H 6.854 0.011 3 314 148 58 TYR HE1 H 6.893 0.016 3 315 148 58 TYR CA C 62.005 0.044 1 316 148 58 TYR CB C 38.563 0.043 1 317 148 58 TYR N N 121.153 0.044 1 318 149 59 TYR H H 8.824 0.005 1 319 149 59 TYR HA H 4.276 0.020 1 320 149 59 TYR HB2 H 3.226 0.009 2 321 149 59 TYR HD1 H 6.868 0.035 3 322 149 59 TYR HE2 H 7.323 0.000 3 323 149 59 TYR CA C 61.341 0.136 1 324 149 59 TYR CB C 38.527 0.047 1 325 149 59 TYR N N 119.254 0.055 1 326 150 60 ARG H H 7.636 0.006 1 327 150 60 ARG HA H 3.527 0.009 1 328 150 60 ARG HB2 H 1.932 0.013 2 329 150 60 ARG HD2 H 3.259 0.000 2 330 150 60 ARG HG2 H 1.671 0.015 1 331 150 60 ARG CA C 59.780 0.048 1 332 150 60 ARG CB C 29.548 0.026 1 333 150 60 ARG CD C 43.440 0.000 1 334 150 60 ARG CG C 28.173 0.000 1 335 150 60 ARG N N 116.633 0.040 1 336 151 61 GLU H H 7.950 0.006 1 337 151 61 GLU HA H 4.058 0.017 1 338 151 61 GLU HB2 H 1.959 0.014 1 339 151 61 GLU HB3 H 1.827 0.003 1 340 151 61 GLU HG2 H 2.296 0.031 1 341 151 61 GLU HG3 H 2.344 0.002 1 342 151 61 GLU CA C 57.826 0.248 1 343 151 61 GLU CB C 30.277 0.326 1 344 151 61 GLU CG C 36.181 0.069 1 345 151 61 GLU N N 115.576 0.047 1 346 152 62 ASN H H 7.553 0.006 1 347 152 62 ASN HA H 4.596 0.022 1 348 152 62 ASN HB2 H 2.272 0.000 1 349 152 62 ASN HB3 H 2.337 0.000 1 350 152 62 ASN HD21 H 6.717 0.042 1 351 152 62 ASN HD22 H 6.545 0.000 1 352 152 62 ASN CA C 54.437 0.065 1 353 152 62 ASN CB C 40.772 0.105 1 354 152 62 ASN N N 115.294 0.037 1 355 153 63 MET H H 7.492 0.004 1 356 153 63 MET HA H 3.675 0.009 1 357 153 63 MET HB2 H 1.611 0.012 1 358 153 63 MET HB3 H 1.796 0.007 1 359 153 63 MET HE H 1.825 0.012 1 360 153 63 MET HG2 H 2.093 0.008 2 361 153 63 MET CA C 59.799 0.052 1 362 153 63 MET CB C 32.467 0.070 1 363 153 63 MET CE C 16.672 0.090 1 364 153 63 MET CG C 30.594 0.000 1 365 153 63 MET N N 118.844 0.046 1 366 154 64 TYR H H 7.628 0.007 1 367 154 64 TYR HA H 4.227 0.012 1 368 154 64 TYR HB2 H 3.028 0.013 1 369 154 64 TYR HB3 H 2.960 0.001 1 370 154 64 TYR HD1 H 7.102 0.014 3 371 154 64 TYR HE1 H 6.933 0.012 1 372 154 64 TYR HE2 H 7.353 0.012 1 373 154 64 TYR CA C 59.173 0.015 1 374 154 64 TYR CB C 36.420 0.052 1 375 154 64 TYR N N 114.481 0.030 1 376 155 65 ARG H H 7.602 0.004 1 377 155 65 ARG HA H 4.014 0.016 1 378 155 65 ARG HB2 H 1.777 0.002 1 379 155 65 ARG HB3 H 1.986 0.002 1 380 155 65 ARG HD2 H 3.179 0.016 1 381 155 65 ARG HD3 H 3.107 0.038 1 382 155 65 ARG HE H 6.882 0.004 1 383 155 65 ARG HG2 H 1.395 0.003 1 384 155 65 ARG HG3 H 1.321 0.013 1 385 155 65 ARG CA C 56.664 0.049 1 386 155 65 ARG CB C 30.737 0.007 1 387 155 65 ARG CD C 44.180 0.043 1 388 155 65 ARG CG C 27.162 0.159 1 389 155 65 ARG N N 118.696 0.043 1 390 156 66 TYR H H 7.320 0.008 1 391 156 66 TYR HA H 4.978 0.017 1 392 156 66 TYR HB2 H 3.183 0.002 1 393 156 66 TYR HB3 H 2.970 0.015 1 394 156 66 TYR HD1 H 7.033 0.025 1 395 156 66 TYR HD2 H 7.316 0.000 1 396 156 66 TYR CA C 53.672 0.203 1 397 156 66 TYR CB C 38.310 0.044 1 398 156 66 TYR N N 119.564 0.063 1 399 157 67 PRO HA H 4.401 0.019 1 400 157 67 PRO HB2 H 2.376 0.003 1 401 157 67 PRO HB3 H 1.714 0.011 1 402 157 67 PRO HD2 H 3.547 0.038 1 403 157 67 PRO HD3 H 3.829 0.006 1 404 157 67 PRO HG2 H 1.754 0.023 1 405 157 67 PRO HG3 H 2.018 0.005 1 406 157 67 PRO CA C 63.459 0.041 1 407 157 67 PRO CB C 32.387 0.065 1 408 157 67 PRO CD C 50.668 0.176 1 409 157 67 PRO CG C 27.392 0.075 1 410 158 68 ASN H H 8.473 0.005 1 411 158 68 ASN HA H 4.720 0.017 1 412 158 68 ASN HB2 H 2.426 0.008 1 413 158 68 ASN HB3 H 3.646 0.011 1 414 158 68 ASN CA C 51.835 0.121 1 415 158 68 ASN CB C 38.273 0.055 1 416 158 68 ASN N N 115.721 0.057 1 417 159 69 GLN H H 7.188 0.007 1 418 159 69 GLN HA H 4.585 0.016 1 419 159 69 GLN HB2 H 2.010 0.013 1 420 159 69 GLN HB3 H 2.135 0.015 1 421 159 69 GLN HE21 H 6.763 0.000 2 422 159 69 GLN HG2 H 2.375 0.021 2 423 159 69 GLN HG3 H 2.375 0.021 2 424 159 69 GLN CA C 54.195 0.052 1 425 159 69 GLN CB C 34.185 0.104 1 426 159 69 GLN N N 114.047 0.045 1 427 160 70 VAL H H 8.521 0.008 1 428 160 70 VAL HA H 4.924 0.011 1 429 160 70 VAL HB H 2.608 0.004 1 430 160 70 VAL HG1 H 0.942 0.010 1 431 160 70 VAL HG2 H 0.757 0.010 1 432 160 70 VAL CA C 58.585 0.067 1 433 160 70 VAL CB C 33.800 0.060 1 434 160 70 VAL CG1 C 23.415 0.000 1 435 160 70 VAL CG2 C 18.505 0.065 1 436 160 70 VAL N N 112.854 0.074 1 437 161 71 TYR H H 8.423 0.008 1 438 161 71 TYR HA H 5.578 0.012 1 439 161 71 TYR HB2 H 2.584 0.013 1 440 161 71 TYR HB3 H 2.636 0.015 1 441 161 71 TYR HD1 H 6.913 0.021 1 442 161 71 TYR HD2 H 6.652 0.013 1 443 161 71 TYR HE1 H 6.330 0.014 1 444 161 71 TYR HE2 H 6.856 0.011 1 445 161 71 TYR CA C 57.105 0.212 1 446 161 71 TYR CB C 41.841 0.061 1 447 161 71 TYR N N 121.050 0.063 1 448 162 72 TYR H H 8.594 0.008 1 449 162 72 TYR HA H 4.870 0.011 1 450 162 72 TYR HB2 H 2.858 0.008 1 451 162 72 TYR HB3 H 2.719 0.010 1 452 162 72 TYR HD1 H 7.181 0.013 3 453 162 72 TYR HE1 H 6.512 0.037 3 454 162 72 TYR CA C 56.020 0.043 1 455 162 72 TYR CB C 40.170 0.041 1 456 162 72 TYR N N 111.169 0.085 1 457 163 73 ARG H H 7.940 0.007 1 458 163 73 ARG HA H 4.634 0.020 1 459 163 73 ARG HD2 H 3.011 0.022 2 460 163 73 ARG HG2 H 1.663 0.000 2 461 163 73 ARG CA C 54.184 0.030 1 462 163 73 ARG N N 120.511 0.033 1 463 164 74 PRO HA H 4.599 0.014 1 464 164 74 PRO HB2 H 1.990 0.009 1 465 164 74 PRO HB3 H 2.499 0.007 1 466 164 74 PRO HD2 H 3.426 0.012 1 467 164 74 PRO HD3 H 3.652 0.019 1 468 164 74 PRO HG2 H 2.062 0.018 2 469 164 74 PRO HG3 H 2.062 0.018 2 470 164 74 PRO CA C 63.530 0.027 1 471 164 74 PRO CB C 32.730 0.029 1 472 164 74 PRO CD C 50.243 0.189 1 473 165 75 VAL H H 8.578 0.003 1 474 165 75 VAL HA H 4.308 0.009 1 475 165 75 VAL HB H 2.112 0.016 1 476 165 75 VAL HG1 H 0.850 0.011 1 477 165 75 VAL HG2 H 0.860 0.007 1 478 165 75 VAL CA C 65.614 0.079 1 479 165 75 VAL CB C 32.382 0.122 1 480 165 75 VAL CG1 C 21.270 0.055 1 481 165 75 VAL CG2 C 21.806 0.040 1 482 165 75 VAL N N 118.423 0.036 1 483 166 76 ASP H H 8.298 0.007 1 484 166 76 ASP HA H 4.610 0.007 1 485 166 76 ASP HB2 H 2.904 0.011 1 486 166 76 ASP HB3 H 2.693 0.011 1 487 166 76 ASP CA C 54.527 0.046 1 488 166 76 ASP CB C 39.877 0.055 1 489 166 76 ASP N N 117.497 0.055 1 490 167 77 GLN H H 8.254 0.005 1 491 167 77 GLN HA H 4.110 0.007 1 492 167 77 GLN HB2 H 1.886 0.019 1 493 167 77 GLN HB3 H 1.725 0.016 1 494 167 77 GLN HG2 H 2.215 0.004 1 495 167 77 GLN HG3 H 2.201 0.013 1 496 167 77 GLN CA C 55.884 0.070 1 497 167 77 GLN CB C 27.466 0.051 1 498 167 77 GLN CG C 34.205 0.022 1 499 167 77 GLN N N 117.402 0.037 1 500 168 78 TYR H H 7.889 0.006 1 501 168 78 TYR HA H 4.943 0.015 1 502 168 78 TYR HB2 H 3.309 0.011 1 503 168 78 TYR HB3 H 3.041 0.024 1 504 168 78 TYR HD1 H 7.328 0.009 3 505 168 78 TYR CA C 56.965 0.049 1 506 168 78 TYR CB C 42.310 0.068 1 507 168 78 TYR N N 117.023 0.042 1 508 169 79 SER H H 9.153 0.007 1 509 169 79 SER HA H 4.540 0.012 1 510 169 79 SER HB2 H 3.984 0.014 2 511 169 79 SER HB3 H 3.984 0.014 2 512 169 79 SER CA C 59.113 0.125 1 513 169 79 SER CB C 64.062 0.023 1 514 169 79 SER N N 115.122 0.050 1 515 170 80 ASN H H 7.611 0.011 1 516 170 80 ASN HA H 4.751 0.017 1 517 170 80 ASN HB2 H 3.176 0.017 1 518 170 80 ASN HB3 H 2.996 0.012 1 519 170 80 ASN CA C 52.416 0.118 1 520 170 80 ASN CB C 40.106 0.051 1 521 170 80 ASN N N 114.507 0.037 1 522 171 81 GLN H H 8.584 0.005 1 523 171 81 GLN HA H 3.750 0.008 1 524 171 81 GLN HG2 H 2.478 0.006 1 525 171 81 GLN HG3 H 2.716 0.005 1 526 171 81 GLN CA C 58.943 0.059 1 527 171 81 GLN CB C 29.483 0.218 1 528 171 81 GLN CG C 33.672 0.050 1 529 171 81 GLN N N 119.651 0.033 1 530 172 82 ASN H H 8.412 0.005 1 531 172 82 ASN HA H 4.211 0.018 1 532 172 82 ASN HB2 H 2.665 0.019 1 533 172 82 ASN HB3 H 2.742 0.004 1 534 172 82 ASN CA C 56.410 0.037 1 535 172 82 ASN CB C 37.536 0.151 1 536 172 82 ASN N N 117.522 0.064 1 537 173 83 ASN H H 8.570 0.008 1 538 173 83 ASN HA H 4.571 0.010 1 539 173 83 ASN HB2 H 3.218 0.009 1 540 173 83 ASN HB3 H 2.932 0.004 1 541 173 83 ASN CA C 56.075 0.048 1 542 173 83 ASN CB C 38.254 0.087 1 543 173 83 ASN N N 118.408 0.041 1 544 174 84 PHE H H 7.196 0.011 1 545 174 84 PHE HB2 H 2.745 0.014 1 546 174 84 PHE HB3 H 2.882 0.016 1 547 174 84 PHE HE1 H 7.191 0.004 1 548 174 84 PHE CA C 60.971 0.048 1 549 174 84 PHE CB C 38.765 0.087 1 550 174 84 PHE N N 121.739 0.058 1 551 175 85 VAL H H 8.884 0.011 1 552 175 85 VAL HA H 3.409 0.020 1 553 175 85 VAL HB H 2.194 0.011 1 554 175 85 VAL HG1 H 1.044 0.010 1 555 175 85 VAL HG2 H 1.057 0.014 1 556 175 85 VAL CA C 67.541 0.046 1 557 175 85 VAL CB C 32.000 0.004 1 558 175 85 VAL CG1 C 22.154 0.061 1 559 175 85 VAL CG2 C 24.687 0.056 1 560 175 85 VAL N N 120.294 0.032 1 561 176 86 HIS H H 8.388 0.009 1 562 176 86 HIS HA H 4.312 0.007 1 563 176 86 HIS HB2 H 3.334 0.021 2 564 176 86 HIS HB3 H 3.334 0.021 2 565 176 86 HIS HE1 H 7.215 0.000 1 566 176 86 HIS CA C 59.247 0.043 1 567 176 86 HIS CB C 28.422 0.049 1 568 176 86 HIS N N 116.512 0.050 1 569 177 87 ASP H H 7.397 0.011 1 570 177 87 ASP HA H 4.570 0.012 1 571 177 87 ASP HB2 H 2.952 0.033 1 572 177 87 ASP HB3 H 3.001 0.033 1 573 177 87 ASP CA C 57.270 0.039 1 574 177 87 ASP CB C 41.323 0.155 1 575 177 87 ASP N N 118.488 0.041 1 576 178 88 CYS H H 8.114 0.009 1 577 178 88 CYS HA H 4.686 0.024 1 578 178 88 CYS HB2 H 3.248 0.013 1 579 178 88 CYS HB3 H 3.061 0.007 1 580 178 88 CYS CA C 58.693 0.107 1 581 178 88 CYS CB C 41.067 0.064 1 582 178 88 CYS N N 119.324 0.056 1 583 179 89 VAL H H 9.207 0.005 1 584 179 89 VAL HA H 3.661 0.017 1 585 179 89 VAL HB H 2.149 0.011 1 586 179 89 VAL HG1 H 1.063 0.015 1 587 179 89 VAL HG2 H 0.953 0.008 1 588 179 89 VAL CA C 66.155 0.110 1 589 179 89 VAL CB C 31.818 0.065 1 590 179 89 VAL CG1 C 23.423 0.033 1 591 179 89 VAL CG2 C 21.244 0.097 1 592 179 89 VAL N N 124.164 0.044 1 593 180 90 ASN H H 7.668 0.008 1 594 180 90 ASN HA H 4.307 0.008 1 595 180 90 ASN HB2 H 2.817 0.024 1 596 180 90 ASN HB3 H 2.870 0.004 1 597 180 90 ASN CA C 56.685 0.052 1 598 180 90 ASN CB C 38.864 0.046 1 599 180 90 ASN N N 116.623 0.046 1 600 181 91 ILE H H 8.649 0.009 1 601 181 91 ILE HA H 3.766 0.019 1 602 181 91 ILE HB H 1.608 0.022 1 603 181 91 ILE HD1 H 0.416 0.014 1 604 181 91 ILE HG12 H 0.826 0.015 1 605 181 91 ILE HG13 H 0.988 0.015 1 606 181 91 ILE HG2 H 0.247 0.012 1 607 181 91 ILE CA C 62.054 0.056 1 608 181 91 ILE CB C 36.465 0.071 1 609 181 91 ILE CD1 C 10.981 0.027 1 610 181 91 ILE CG1 C 27.518 0.085 1 611 181 91 ILE CG2 C 18.449 0.060 1 612 181 91 ILE N N 118.063 0.051 1 613 182 92 THR H H 8.097 0.003 1 614 182 92 THR HA H 4.087 0.016 1 615 182 92 THR HB H 4.495 0.018 1 616 182 92 THR HG2 H 1.480 0.012 1 617 182 92 THR CA C 68.575 0.117 1 618 182 92 THR CB C 68.447 0.037 1 619 182 92 THR CG2 C 22.227 0.024 1 620 182 92 THR N N 118.121 0.033 1 621 183 93 VAL H H 8.804 0.006 1 622 183 93 VAL HA H 3.617 0.018 1 623 183 93 VAL HB H 2.285 0.013 1 624 183 93 VAL HG1 H 1.017 0.021 1 625 183 93 VAL HG2 H 0.935 0.022 1 626 183 93 VAL CA C 67.793 0.052 1 627 183 93 VAL CB C 31.418 0.032 1 628 183 93 VAL CG1 C 23.429 0.052 1 629 183 93 VAL CG2 C 20.960 0.078 1 630 183 93 VAL N N 120.768 0.059 1 631 184 94 LYS H H 7.888 0.008 1 632 184 94 LYS HA H 4.053 0.015 1 633 184 94 LYS HB2 H 1.948 0.024 1 634 184 94 LYS HB3 H 1.901 0.008 1 635 184 94 LYS HD2 H 1.634 0.023 2 636 184 94 LYS HD3 H 1.634 0.023 2 637 184 94 LYS HE2 H 2.919 0.009 2 638 184 94 LYS HE3 H 2.919 0.009 2 639 184 94 LYS HG2 H 1.494 0.010 1 640 184 94 LYS HG3 H 1.429 0.002 1 641 184 94 LYS CA C 60.052 0.060 1 642 184 94 LYS CB C 32.164 0.055 1 643 184 94 LYS CD C 29.013 0.019 1 644 184 94 LYS CE C 41.816 0.061 1 645 184 94 LYS CG C 24.836 0.000 1 646 184 94 LYS N N 121.424 0.070 1 647 185 95 GLN H H 8.339 0.019 1 648 185 95 GLN HA H 4.021 0.000 1 649 185 95 GLN HB2 H 2.127 0.008 2 650 185 95 GLN HB3 H 2.127 0.016 2 651 185 95 GLN HE22 H 6.806 0.003 2 652 185 95 GLN HG2 H 2.353 0.006 1 653 185 95 GLN HG3 H 2.555 0.000 1 654 185 95 GLN CB C 28.352 0.019 1 655 185 95 GLN N N 116.514 0.089 1 656 186 96 HIS HA H 4.588 0.010 1 657 186 96 HIS HB2 H 3.156 0.008 1 658 186 96 HIS HB3 H 3.400 0.016 1 659 186 96 HIS HE1 H 7.854 0.000 1 660 186 96 HIS CA C 59.630 0.330 1 661 186 96 HIS CB C 31.380 0.237 1 662 187 97 THR H H 8.126 0.018 1 663 187 97 THR HA H 4.191 0.040 1 664 187 97 THR HG2 H 1.297 0.014 1 665 187 97 THR CA C 64.728 0.239 1 666 187 97 THR CB C 69.034 0.146 1 667 187 97 THR CG2 C 21.681 0.103 1 668 187 97 THR N N 112.872 0.138 1 669 188 98 VAL H H 7.983 0.012 1 670 188 98 VAL HA H 4.032 0.016 1 671 188 98 VAL HB H 2.195 0.008 1 672 188 98 VAL HG1 H 1.212 0.011 1 673 188 98 VAL HG2 H 0.741 0.017 1 674 188 98 VAL CA C 65.028 0.069 1 675 188 98 VAL CB C 32.087 0.000 1 676 188 98 VAL CG1 C 21.351 0.066 1 677 188 98 VAL CG2 C 23.415 0.000 1 678 188 98 VAL N N 122.052 0.069 1 679 189 99 THR H H 8.108 0.004 1 680 189 99 THR HA H 4.214 0.000 1 681 189 99 THR HB H 4.067 0.004 1 682 189 99 THR HG2 H 1.250 0.000 1 683 189 99 THR CA C 64.165 0.009 1 684 189 99 THR CB C 69.393 0.000 1 685 189 99 THR CG2 C 21.790 0.000 1 686 189 99 THR N N 115.612 0.035 1 687 190 100 THR H H 7.996 0.009 1 688 190 100 THR HA H 4.215 0.027 1 689 190 100 THR HB H 4.369 0.011 1 690 190 100 THR HG2 H 0.981 0.008 1 691 190 100 THR CA C 64.038 0.016 1 692 190 100 THR CB C 68.987 0.243 1 693 190 100 THR CG2 C 21.509 0.000 1 694 190 100 THR N N 115.036 0.033 1 695 191 101 THR H H 8.150 0.005 1 696 191 101 THR HA H 4.379 0.017 1 697 191 101 THR HB H 4.311 0.012 1 698 191 101 THR HG2 H 1.321 0.028 1 699 191 101 THR CA C 64.513 0.035 1 700 191 101 THR CB C 69.327 0.037 1 701 191 101 THR CG2 C 21.520 0.000 1 702 191 101 THR N N 116.294 0.074 1 703 192 102 THR H H 7.989 0.004 1 704 192 102 THR HA H 4.235 0.017 1 705 192 102 THR HG2 H 1.249 0.004 1 706 192 102 THR CA C 64.039 0.045 1 707 192 102 THR CB C 69.274 0.095 1 708 192 102 THR CG2 C 21.779 0.000 1 709 192 102 THR N N 116.279 0.061 1 710 193 103 LYS H H 7.838 0.016 1 711 193 103 LYS HA H 4.384 0.018 1 712 193 103 LYS HB2 H 2.008 0.015 1 713 193 103 LYS HB3 H 1.842 0.032 1 714 193 103 LYS HD2 H 1.681 0.019 2 715 193 103 LYS HD3 H 1.681 0.019 2 716 193 103 LYS HE2 H 2.950 0.005 1 717 193 103 LYS HE3 H 2.950 0.005 1 718 193 103 LYS HG2 H 1.492 0.018 2 719 193 103 LYS CA C 56.471 0.156 1 720 193 103 LYS CB C 32.584 0.093 1 721 193 103 LYS CD C 29.055 0.040 1 722 193 103 LYS CE C 41.812 0.106 1 723 193 103 LYS CG C 24.957 0.064 1 724 193 103 LYS N N 121.006 0.054 1 725 194 104 GLY H H 8.087 0.011 1 726 194 104 GLY HA2 H 4.069 0.014 1 727 194 104 GLY HA3 H 3.820 0.013 1 728 194 104 GLY CA C 45.490 0.020 1 729 194 104 GLY N N 108.808 0.052 1 730 195 105 GLU H H 7.739 0.011 1 731 195 105 GLU HA H 4.278 0.011 1 732 195 105 GLU HB2 H 1.627 0.012 2 733 195 105 GLU HG2 H 2.068 0.011 1 734 195 105 GLU HG3 H 1.940 0.023 1 735 195 105 GLU CA C 55.496 0.084 1 736 195 105 GLU CB C 30.990 0.244 1 737 195 105 GLU CG C 35.861 0.150 1 738 195 105 GLU N N 119.963 0.023 1 739 196 106 ASN H H 8.434 0.005 1 740 196 106 ASN HA H 4.709 0.020 1 741 196 106 ASN HB2 H 2.625 0.022 1 742 196 106 ASN HB3 H 2.565 0.079 1 743 196 106 ASN CA C 53.894 0.016 1 744 196 106 ASN CB C 40.861 0.001 1 745 196 106 ASN N N 119.635 0.025 1 746 197 107 PHE H H 8.557 0.009 1 747 197 107 PHE HA H 5.277 0.008 1 748 197 107 PHE HB2 H 3.194 0.018 1 749 197 107 PHE HB3 H 2.968 0.009 1 750 197 107 PHE HD1 H 7.346 0.016 1 751 197 107 PHE HD2 H 7.499 0.021 1 752 197 107 PHE HE1 H 6.932 0.015 1 753 197 107 PHE HE2 H 6.655 0.011 1 754 197 107 PHE CA C 56.627 0.141 1 755 197 107 PHE CB C 40.420 0.091 1 756 197 107 PHE N N 121.831 0.111 1 757 198 108 THR H H 9.544 0.007 1 758 198 108 THR HA H 4.627 0.019 1 759 198 108 THR HB H 4.799 0.030 1 760 198 108 THR HG2 H 1.422 0.011 1 761 198 108 THR CA C 60.468 0.106 1 762 198 108 THR CB C 72.135 0.069 1 763 198 108 THR CG2 C 21.649 0.054 1 764 198 108 THR N N 115.810 0.040 1 765 199 109 GLU H H 9.056 0.005 1 766 199 109 GLU HA H 4.047 0.010 1 767 199 109 GLU HB2 H 2.077 0.007 1 768 199 109 GLU HB3 H 2.106 0.008 1 769 199 109 GLU HG2 H 2.319 0.008 1 770 199 109 GLU HG3 H 2.375 0.025 1 771 199 109 GLU CA C 60.012 0.070 1 772 199 109 GLU CB C 28.963 0.092 1 773 199 109 GLU CG C 36.475 0.189 1 774 199 109 GLU N N 119.649 0.021 1 775 200 110 THR H H 7.915 0.005 1 776 200 110 THR HA H 3.763 0.016 1 777 200 110 THR HB H 3.711 0.014 1 778 200 110 THR HG2 H 0.633 0.004 1 779 200 110 THR CA C 66.764 0.112 1 780 200 110 THR CB C 68.664 0.149 1 781 200 110 THR CG2 C 21.052 0.012 1 782 200 110 THR N N 116.219 0.026 1 783 201 111 ASP H H 7.474 0.023 1 784 201 111 ASP HA H 4.530 0.016 1 785 201 111 ASP HB2 H 3.382 0.014 1 786 201 111 ASP HB3 H 2.563 0.039 1 787 201 111 ASP CA C 58.190 0.044 1 788 201 111 ASP CB C 41.982 0.119 1 789 201 111 ASP N N 119.473 0.027 1 790 202 112 ILE H H 8.076 0.005 1 791 202 112 ILE HA H 3.429 0.010 1 792 202 112 ILE HB H 1.923 0.012 1 793 202 112 ILE HD1 H 0.722 0.013 1 794 202 112 ILE HG12 H 1.539 0.016 1 795 202 112 ILE HG13 H 1.281 0.019 1 796 202 112 ILE HG2 H 0.839 0.010 1 797 202 112 ILE CA C 64.568 0.145 1 798 202 112 ILE CB C 37.366 0.156 1 799 202 112 ILE CD1 C 11.326 0.010 1 800 202 112 ILE CG1 C 28.410 0.038 1 801 202 112 ILE CG2 C 17.228 0.009 1 802 202 112 ILE N N 118.991 0.030 1 803 203 113 LYS H H 7.746 0.007 1 804 203 113 LYS HA H 4.044 0.017 1 805 203 113 LYS HB2 H 1.903 0.027 1 806 203 113 LYS HB3 H 2.015 0.002 1 807 203 113 LYS HD2 H 1.626 0.021 2 808 203 113 LYS HD3 H 1.626 0.021 2 809 203 113 LYS HE2 H 2.917 0.011 2 810 203 113 LYS HE3 H 2.917 0.011 2 811 203 113 LYS HG2 H 1.561 0.016 1 812 203 113 LYS HG3 H 1.410 0.011 1 813 203 113 LYS CA C 59.335 0.062 1 814 203 113 LYS CB C 32.356 0.112 1 815 203 113 LYS CD C 29.194 0.000 1 816 203 113 LYS CE C 42.073 0.000 1 817 203 113 LYS CG C 25.016 0.037 1 818 203 113 LYS N N 119.513 0.036 1 819 204 114 ILE H H 7.979 0.006 1 820 204 114 ILE HA H 3.621 0.014 1 821 204 114 ILE HB H 1.933 0.010 1 822 204 114 ILE HD1 H 0.648 0.017 1 823 204 114 ILE HG12 H 1.555 0.008 1 824 204 114 ILE HG13 H 0.818 0.005 1 825 204 114 ILE HG2 H 0.794 0.017 1 826 204 114 ILE CA C 64.793 0.112 1 827 204 114 ILE CB C 37.410 0.186 1 828 204 114 ILE CD1 C 13.532 0.013 1 829 204 114 ILE CG1 C 28.667 0.079 1 830 204 114 ILE CG2 C 18.639 0.078 1 831 204 114 ILE N N 119.815 0.034 1 832 205 115 MET H H 8.817 0.005 1 833 205 115 MET HA H 3.444 0.017 1 834 205 115 MET HB2 H 1.977 0.014 1 835 205 115 MET HB3 H 1.757 0.027 1 836 205 115 MET HE H 1.498 0.011 1 837 205 115 MET HG2 H 2.083 0.004 1 838 205 115 MET HG3 H 2.039 0.002 1 839 205 115 MET CA C 60.101 0.019 1 840 205 115 MET CB C 33.715 0.196 1 841 205 115 MET CE C 16.230 0.064 1 842 205 115 MET CG C 32.051 0.011 1 843 205 115 MET N N 119.193 0.045 1 844 206 116 GLU H H 8.503 0.010 1 845 206 116 GLU HA H 3.629 0.014 1 846 206 116 GLU HB2 H 2.203 0.010 2 847 206 116 GLU HG2 H 2.577 0.014 1 848 206 116 GLU HG3 H 2.133 0.008 1 849 206 116 GLU CA C 60.680 0.079 1 850 206 116 GLU CB C 28.457 0.121 1 851 206 116 GLU CG C 36.727 0.351 1 852 206 116 GLU N N 117.055 0.025 1 853 207 117 ARG H H 7.215 0.004 1 854 207 117 ARG HA H 4.162 0.016 1 855 207 117 ARG HB2 H 1.897 0.016 2 856 207 117 ARG HD2 H 3.203 0.025 1 857 207 117 ARG HD3 H 3.140 0.004 1 858 207 117 ARG HE H 7.327 0.004 1 859 207 117 ARG HG2 H 1.790 0.001 1 860 207 117 ARG HG3 H 1.708 0.014 1 861 207 117 ARG CA C 58.572 0.033 1 862 207 117 ARG CB C 30.117 0.041 1 863 207 117 ARG CD C 42.955 0.061 1 864 207 117 ARG CG C 26.942 0.080 1 865 207 117 ARG N N 117.987 0.047 1 866 208 118 VAL H H 8.271 0.009 1 867 208 118 VAL HA H 3.498 0.026 1 868 208 118 VAL HB H 2.100 0.010 1 869 208 118 VAL HG1 H 1.099 0.019 1 870 208 118 VAL HG2 H 1.038 0.016 1 871 208 118 VAL CA C 66.299 0.071 1 872 208 118 VAL CB C 32.559 0.046 1 873 208 118 VAL CG1 C 21.285 0.045 1 874 208 118 VAL CG2 C 23.433 0.062 1 875 208 118 VAL N N 120.338 0.060 1 876 209 119 VAL H H 8.988 0.008 1 877 209 119 VAL HA H 3.625 0.020 1 878 209 119 VAL HB H 2.170 0.017 1 879 209 119 VAL HG1 H 0.952 0.015 1 880 209 119 VAL HG2 H 1.207 0.021 1 881 209 119 VAL CA C 66.157 0.088 1 882 209 119 VAL CB C 31.162 0.045 1 883 209 119 VAL CG1 C 24.397 0.123 1 884 209 119 VAL CG2 C 24.938 0.031 1 885 209 119 VAL N N 119.084 0.052 1 886 210 120 GLU H H 8.138 0.008 1 887 210 120 GLU HA H 3.560 0.024 1 888 210 120 GLU HB2 H 2.176 0.024 1 889 210 120 GLU HB3 H 1.964 0.009 1 890 210 120 GLU HG2 H 2.159 0.008 1 891 210 120 GLU HG3 H 2.068 0.000 1 892 210 120 GLU CA C 61.014 0.039 1 893 210 120 GLU CB C 29.264 0.129 1 894 210 120 GLU CG C 35.829 0.000 1 895 210 120 GLU N N 121.072 0.037 1 896 211 121 GLN H H 7.222 0.008 1 897 211 121 GLN HA H 3.959 0.011 1 898 211 121 GLN HB2 H 2.386 0.018 2 899 211 121 GLN HG2 H 2.463 0.014 2 900 211 121 GLN CA C 58.618 0.058 1 901 211 121 GLN CB C 27.810 0.019 1 902 211 121 GLN CG C 33.697 0.006 1 903 211 121 GLN N N 114.940 0.101 1 904 212 122 MET H H 7.987 0.005 1 905 212 122 MET HA H 4.107 0.014 1 906 212 122 MET HB2 H 2.194 0.004 1 907 212 122 MET HB3 H 2.294 0.014 1 908 212 122 MET HE H 2.175 0.020 1 909 212 122 MET HG2 H 2.741 0.018 1 910 212 122 MET HG3 H 2.495 0.012 1 911 212 122 MET CA C 59.878 0.078 1 912 212 122 MET CB C 35.521 0.014 1 913 212 122 MET CE C 17.562 0.040 1 914 212 122 MET CG C 32.412 0.027 1 915 212 122 MET N N 119.278 0.033 1 916 213 123 CYS H H 9.236 0.026 1 917 213 123 CYS HA H 4.354 0.020 1 918 213 123 CYS HB2 H 3.541 0.013 1 919 213 123 CYS HB3 H 2.851 0.016 1 920 213 123 CYS CA C 60.057 0.042 1 921 213 123 CYS CB C 42.100 0.076 1 922 213 123 CYS N N 118.973 0.030 1 923 214 124 ILE H H 8.326 0.003 1 924 214 124 ILE HA H 3.478 0.011 1 925 214 124 ILE HB H 1.968 0.020 1 926 214 124 ILE HD1 H 0.832 0.007 1 927 214 124 ILE HG2 H 0.863 0.008 1 928 214 124 ILE CA C 66.899 0.058 1 929 214 124 ILE CB C 38.302 0.014 1 930 214 124 ILE CD1 C 14.096 0.025 1 931 214 124 ILE CG2 C 16.989 0.080 1 932 214 124 ILE N N 123.509 0.063 1 933 215 125 THR H H 8.094 0.011 1 934 215 125 THR HA H 3.880 0.012 1 935 215 125 THR HB H 4.294 0.009 1 936 215 125 THR HG2 H 1.235 0.006 1 937 215 125 THR CA C 67.150 0.092 1 938 215 125 THR CB C 68.292 0.114 1 939 215 125 THR CG2 C 22.104 0.075 1 940 215 125 THR N N 118.315 0.084 1 941 216 126 GLN H H 8.758 0.015 1 942 216 126 GLN HA H 3.683 0.008 1 943 216 126 GLN HB2 H 2.254 0.027 1 944 216 126 GLN HB3 H 1.687 0.013 1 945 216 126 GLN HG2 H 1.592 0.007 1 946 216 126 GLN CA C 58.771 0.047 1 947 216 126 GLN CB C 28.249 0.082 1 948 216 126 GLN CG C 32.376 0.000 1 949 216 126 GLN N N 122.469 0.045 1 950 217 127 TYR H H 8.493 0.005 1 951 217 127 TYR HA H 2.937 0.013 1 952 217 127 TYR HB2 H 2.103 0.023 2 953 217 127 TYR HD1 H 6.150 0.006 3 954 217 127 TYR HE2 H 8.285 0.000 3 955 217 127 TYR CA C 62.076 0.068 1 956 217 127 TYR CB C 37.162 0.000 1 957 217 127 TYR N N 119.962 0.041 1 958 218 128 GLN H H 8.347 0.008 1 959 218 128 GLN HA H 3.737 0.017 1 960 218 128 GLN HB2 H 2.420 0.033 1 961 218 128 GLN HB3 H 2.047 0.036 1 962 218 128 GLN HG2 H 2.683 0.021 2 963 218 128 GLN CA C 59.074 0.086 1 964 218 128 GLN CB C 27.528 0.081 1 965 218 128 GLN CG C 33.783 0.000 1 966 218 128 GLN N N 120.182 0.094 1 967 219 129 GLN H H 8.230 0.009 1 968 219 129 GLN HA H 3.995 0.010 1 969 219 129 GLN HB2 H 2.083 0.002 2 970 219 129 GLN HG2 H 2.361 0.008 1 971 219 129 GLN HG3 H 2.441 0.021 1 972 219 129 GLN CA C 58.870 0.078 1 973 219 129 GLN CB C 28.517 0.053 1 974 219 129 GLN CG C 33.772 0.180 1 975 219 129 GLN N N 118.839 0.054 1 976 220 130 GLU H H 8.489 0.007 1 977 220 130 GLU HA H 4.081 0.009 1 978 220 130 GLU HB2 H 2.124 0.009 1 979 220 130 GLU HB3 H 1.727 0.030 1 980 220 130 GLU HG2 H 2.194 0.009 1 981 220 130 GLU HG3 H 2.416 0.005 1 982 220 130 GLU CA C 58.131 0.104 1 983 220 130 GLU CB C 29.672 0.047 1 984 220 130 GLU CG C 36.766 0.086 1 985 220 130 GLU N N 118.774 0.027 1 986 221 131 SER H H 8.442 0.008 1 987 221 131 SER HA H 3.966 0.019 1 988 221 131 SER HB2 H 3.571 0.011 1 989 221 131 SER HB3 H 3.361 0.012 1 990 221 131 SER CA C 61.629 0.034 1 991 221 131 SER CB C 62.203 0.028 1 992 221 131 SER N N 116.655 0.050 1 993 222 132 GLN H H 7.824 0.005 1 994 222 132 GLN HA H 4.170 0.013 1 995 222 132 GLN HB2 H 2.146 0.014 2 996 222 132 GLN HG2 H 2.477 0.017 1 997 222 132 GLN HG3 H 2.432 0.000 1 998 222 132 GLN CA C 58.549 0.046 1 999 222 132 GLN CB C 28.148 0.118 1 1000 222 132 GLN CG C 33.703 0.070 1 1001 222 132 GLN N N 122.226 0.026 1 1002 223 133 ALA H H 7.842 0.012 1 1003 223 133 ALA HA H 4.195 0.008 1 1004 223 133 ALA HB H 1.496 0.010 1 1005 223 133 ALA CA C 54.810 0.047 1 1006 223 133 ALA CB C 18.022 0.079 1 1007 223 133 ALA N N 122.207 0.058 1 1008 224 134 ALA H H 8.004 0.008 1 1009 224 134 ALA HA H 4.059 0.004 1 1010 224 134 ALA HB H 1.454 0.006 1 1011 224 134 ALA CA C 55.472 0.070 1 1012 224 134 ALA CB C 18.096 0.039 1 1013 224 134 ALA N N 120.665 0.050 1 1014 225 135 TYR H H 7.965 0.004 1 1015 225 135 TYR HA H 4.313 0.015 1 1016 225 135 TYR HB2 H 3.180 0.007 1 1017 225 135 TYR HB3 H 3.163 0.006 1 1018 225 135 TYR HD1 H 7.134 0.006 3 1019 225 135 TYR CA C 60.419 0.055 1 1020 225 135 TYR CB C 37.952 0.050 1 1021 225 135 TYR N N 120.588 0.046 1 1022 226 136 GLN H H 8.103 0.003 1 1023 226 136 GLN HA H 3.914 0.013 1 1024 226 136 GLN HB2 H 2.166 0.015 2 1025 226 136 GLN HG2 H 2.496 0.005 1 1026 226 136 GLN HG3 H 2.453 0.006 1 1027 226 136 GLN CA C 58.254 0.065 1 1028 226 136 GLN CB C 28.087 0.021 1 1029 226 136 GLN CG C 33.734 0.039 1 1030 226 136 GLN N N 118.362 0.055 1 1031 227 137 ARG H H 8.068 0.004 1 1032 227 137 ARG HA H 4.102 0.021 1 1033 227 137 ARG HB2 H 1.920 0.010 1 1034 227 137 ARG HB3 H 1.814 0.023 1 1035 227 137 ARG HD2 H 3.275 0.021 1 1036 227 137 ARG HD3 H 3.185 0.020 1 1037 227 137 ARG HG2 H 1.616 0.017 1 1038 227 137 ARG HG3 H 1.823 0.006 1 1039 227 137 ARG CA C 58.877 0.076 1 1040 227 137 ARG CB C 30.354 0.147 1 1041 227 137 ARG CD C 43.378 0.122 1 1042 227 137 ARG CG C 27.966 0.063 1 1043 227 137 ARG N N 118.977 0.032 1 1044 228 138 ALA H H 7.730 0.006 1 1045 228 138 ALA HA H 4.149 0.011 1 1046 228 138 ALA HB H 1.442 0.004 1 1047 228 138 ALA CA C 54.021 0.084 1 1048 228 138 ALA CB C 18.035 0.072 1 1049 228 138 ALA N N 121.966 0.056 1 stop_ save_