data_16328 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; the S173N variant of rabbit prion protein (91-228) ; _BMRB_accession_number 16328 _BMRB_flat_file_name bmr16328.str _Entry_type original _Submission_date 2009-05-30 _Accession_date 2009-05-30 _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 Wen Yi . . 3 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" 606 "13C chemical shifts" 315 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-07-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_information _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 'single chain polymers' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'prion protein' $prion_protein 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_prion_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common prion_protein _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; MQGGTHNQWGKPSKPKTSMK HVAGAAAAGAVVGGLGGYML GSAMSRPLIHFGNDYEDRYY RENMYRYPNQVYYRPVDQYS NQNNFVHDCVNITVKQHTVT TTTKGENFTETDIKIMERVV EQMCITQYQQESQAAYQRAH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 92 MET 2 93 GLN 3 94 GLY 4 95 GLY 5 96 THR 6 97 HIS 7 98 ASN 8 99 GLN 9 100 TRP 10 101 GLY 11 102 LYS 12 103 PRO 13 104 SER 14 105 LYS 15 106 PRO 16 107 LYS 17 108 THR 18 109 SER 19 110 MET 20 111 LYS 21 112 HIS 22 113 VAL 23 114 ALA 24 115 GLY 25 116 ALA 26 117 ALA 27 118 ALA 28 119 ALA 29 120 GLY 30 121 ALA 31 122 VAL 32 123 VAL 33 124 GLY 34 125 GLY 35 126 LEU 36 127 GLY 37 128 GLY 38 129 TYR 39 130 MET 40 131 LEU 41 132 GLY 42 133 SER 43 134 ALA 44 135 MET 45 136 SER 46 137 ARG 47 138 PRO 48 139 LEU 49 140 ILE 50 141 HIS 51 142 PHE 52 143 GLY 53 144 ASN 54 145 ASP 55 146 TYR 56 147 GLU 57 148 ASP 58 149 ARG 59 150 TYR 60 151 TYR 61 152 ARG 62 153 GLU 63 154 ASN 64 155 MET 65 156 TYR 66 157 ARG 67 158 TYR 68 159 PRO 69 160 ASN 70 161 GLN 71 162 VAL 72 163 TYR 73 164 TYR 74 165 ARG 75 166 PRO 76 167 VAL 77 168 ASP 78 169 GLN 79 170 TYR 80 171 SER 81 172 ASN 82 173 GLN 83 174 ASN 84 175 ASN 85 176 PHE 86 177 VAL 87 178 HIS 88 179 ASP 89 180 CYS 90 181 VAL 91 182 ASN 92 183 ILE 93 184 THR 94 185 VAL 95 186 LYS 96 187 GLN 97 188 HIS 98 189 THR 99 190 VAL 100 191 THR 101 192 THR 102 193 THR 103 194 THR 104 195 LYS 105 196 GLY 106 197 GLU 107 198 ASN 108 199 PHE 109 200 THR 110 201 GLU 111 202 THR 112 203 ASP 113 204 ILE 114 205 LYS 115 206 ILE 116 207 MET 117 208 GLU 118 209 ARG 119 210 VAL 120 211 VAL 121 212 GLU 122 213 GLN 123 214 MET 124 215 CYS 125 216 ILE 126 217 THR 127 218 GLN 128 219 TYR 129 220 GLN 130 221 GLN 131 222 GLU 132 223 SER 133 224 GLN 134 225 ALA 135 226 ALA 136 227 TYR 137 228 GLN 138 229 ARG 139 230 ALA 140 231 HIS 141 232 HIS 142 233 HIS 143 234 HIS 144 235 HIS 145 236 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 15394 "rpp mutation S173N" 95.17 138 99.28 99.28 2.71e-97 BMRB 15399 "rpp I214V" 95.17 138 98.55 100.00 1.29e-97 BMRB 16616 prion 100.00 145 98.62 100.00 1.92e-103 PDB 1TPX "Ovine Recombinant Prp(114-234), Arq Variant In Complex With The Fab Of The Vrq14 Antibody" 82.07 121 97.48 98.32 5.26e-80 PDB 1TQB "Ovine Recombinant Prp(114-234), Vrq Variant In Complex With The Fab Of The Vrq14 Antibody" 69.66 102 98.02 99.01 1.81e-67 PDB 1TQC "Ovine Recombinant Prp(114-234), Arr Variant In Complex With The Vrq14 Fab Fragment (Igg2a)" 69.66 102 98.02 100.00 1.41e-67 PDB 2FJ3 "Nmr Solution Of Rabbit Prion Protein (91-228)" 95.17 138 99.28 100.00 6.98e-98 PDB 2JOH "Nmr Structure Of Rabbit Prion Protein Mutation S173n" 100.69 148 98.63 98.63 1.54e-101 PDB 2JOM "Nmr Structure Of Rabbit Prion Protein Mutation I214v" 100.69 148 97.26 98.63 1.03e-100 PDB 3O79 "Crystal Structure Of Wild-Type Rabbit Prp 126-230" 71.72 105 99.04 100.00 1.56e-70 PDB 4HLS "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" 75.86 132 98.18 100.00 7.27e-74 PDB 4HMM "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" 75.86 132 100.00 100.00 3.32e-75 PDB 4HMR "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" 75.86 132 99.09 100.00 1.69e-74 EMBL CBK44083 "prnp [Sciurus lis]" 88.97 180 97.67 100.00 1.01e-88 GB AAC48697 "major prion protein [Oryctolagus cuniculus]" 95.17 252 99.28 100.00 6.40e-96 GB AAD01554 "prion protein [Oryctolagus cuniculus]" 94.48 254 99.27 100.00 2.64e-95 GB ABL75505 "prion protein, partial [Oryctolagus cuniculus]" 95.17 244 99.28 100.00 4.61e-96 GB AEM44421 "prion protein [Ovis aries]" 66.90 97 98.97 98.97 4.46e-64 GB AEM44422 "prion protein [Ovis aries]" 66.90 97 98.97 98.97 8.86e-64 REF NP_001075490 "major prion protein precursor [Oryctolagus cuniculus]" 94.48 254 99.27 100.00 2.64e-95 REF XP_008254357 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 95.17 252 99.28 100.00 6.40e-96 REF XP_008254358 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 95.17 252 99.28 100.00 6.40e-96 SP Q95211 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 95.17 252 99.28 100.00 6.40e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $prion_protein 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 $prion_protein 'recombinant technology' . Escherichia coli . pET30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $prion_protein 1 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_standard_NMR_experiments_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'standard NMR experiments' _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.04 . M pH 4.5 . pH pressure 1 . atm temperature 298.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 0.00 na indirect . . . 0.251449530 water H 1 protons ppm 4.77 internal direct . . . 1.000000000 water N 15 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_ _Experiment_label 'standard NMR experiments' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_condition _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'prion protein' _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 3 GLY H H 8.61 0 1 2 92 3 GLY N N 111.372 0 1 3 94 5 THR H H 8.107 0 1 4 94 5 THR N N 113.143 0 1 5 95 6 HIS H H 8.571 0 1 6 95 6 HIS HA H 4.567 0.007 1 7 95 6 HIS HD2 H 7.121 0 1 8 95 6 HIS CA C 56.08 0 1 9 95 6 HIS N N 120.521 0 1 10 96 7 ASN H H 8.395 0 1 11 96 7 ASN N N 119.835 0 1 12 97 8 GLN H H 8.362 0 1 13 97 8 GLN N N 120.654 0 1 14 98 9 TRP H H 8.12 0 1 15 98 9 TRP HA H 4.708 0.008 1 16 98 9 TRP HB2 H 3.348 0 2 17 98 9 TRP HB3 H 3.222 0 1 18 98 9 TRP CA C 57.044 0 1 19 98 9 TRP N N 121.752 0 1 20 99 10 GLY H H 8.175 0.002 1 21 99 10 GLY HA2 H 3.824 0.008 1 22 99 10 GLY HA3 H 3.824 0.008 1 23 99 10 GLY N N 110.149 0.007 1 24 100 11 LYS H H 8.04 0 1 25 100 11 LYS N N 121.74 0 1 26 102 13 SER HA H 4.415 0 1 27 103 14 LYS H H 8.314 0.002 1 28 103 14 LYS HD2 H 1.698 0 1 29 103 14 LYS HD3 H 1.698 0 1 30 103 14 LYS N N 124.116 0.02 1 31 105 16 LYS H H 8.53 0 1 32 105 16 LYS N N 122.181 0 1 33 106 17 THR H H 8.133 0 1 34 106 17 THR N N 115.454 0 1 35 107 18 SER H H 8.38 0 1 36 107 18 SER N N 118.241 0 1 37 108 19 MET H H 8.404 0 1 38 108 19 MET HA H 4.479 0.001 1 39 108 19 MET HB3 H 2.048 0 1 40 108 19 MET HG3 H 2.521 0 1 41 108 19 MET CA C 55.354 0.003 1 42 108 19 MET N N 122.839 0 1 43 109 20 LYS H H 8.285 0 1 44 109 20 LYS N N 122.726 0 1 45 110 21 HIS H H 8.576 0 1 46 110 21 HIS N N 120.757 0 1 47 111 22 VAL H H 8.226 0 1 48 111 22 VAL N N 122.888 0 1 49 112 23 ALA H H 8.469 0 1 50 112 23 ALA N N 128.392 0 1 51 114 25 ALA H H 8.15 0 1 52 114 25 ALA HA H 4.284 0.007 1 53 114 25 ALA CA C 52.389 0.026 1 54 114 25 ALA N N 123.854 0 1 55 115 26 ALA H H 8.289 0 1 56 115 26 ALA N N 123.356 0 1 57 116 27 ALA H H 8.2 0 1 58 116 27 ALA N N 123.416 0 1 59 117 28 ALA H H 8.223 0 1 60 117 28 ALA N N 123.36 0 1 61 118 29 GLY CA C 45.125 0 1 62 119 30 ALA H H 8.044 0.002 1 63 119 30 ALA CA C 52.362 0.002 1 64 119 30 ALA CB C 19.409 0 1 65 119 30 ALA N N 123.582 0.018 1 66 120 31 VAL H H 8.117 0.001 1 67 120 31 VAL HA H 4.122 0.011 1 68 120 31 VAL HB H 2.008 0.007 1 69 120 31 VAL HG1 H 0.871 0 1 70 120 31 VAL HG2 H 0.871 0 1 71 120 31 VAL CA C 62.168 0.069 1 72 120 31 VAL CB C 32.749 0.078 1 73 120 31 VAL CG1 C 20.985 0 1 74 120 31 VAL N N 119.682 0.02 1 75 121 32 VAL H H 8.261 0.002 1 76 121 32 VAL HA H 4.085 0.007 1 77 121 32 VAL HB H 2.013 0.006 1 78 121 32 VAL HG1 H 0.891 0.003 1 79 121 32 VAL HG2 H 0.884 0 1 80 121 32 VAL CA C 62.382 0.193 1 81 121 32 VAL CB C 32.554 0 1 82 121 32 VAL CG1 C 20.948 0 1 83 121 32 VAL N N 124.665 0.044 1 84 122 33 GLY H H 8.538 0.016 1 85 122 33 GLY HA2 H 3.939 0.006 1 86 122 33 GLY HA3 H 3.939 0.006 1 87 122 33 GLY CA C 45.234 0.077 1 88 122 33 GLY N N 113.248 0.103 1 89 123 34 GLY HA2 H 3.949 0.013 1 90 123 34 GLY HA3 H 3.949 0.013 1 91 123 34 GLY CA C 45.351 0 1 92 124 35 LEU H H 8.212 0.005 1 93 124 35 LEU HA H 4.338 0.01 1 94 124 35 LEU HB2 H 1.555 0.017 1 95 124 35 LEU HB3 H 1.506 0.011 1 96 124 35 LEU HD1 H 0.621 0.018 1 97 124 35 LEU HD2 H 0.523 0.008 1 98 124 35 LEU HG H 1.48 0.025 1 99 124 35 LEU CA C 54.901 0.065 1 100 124 35 LEU CB C 42.405 0.011 1 101 124 35 LEU CD1 C 24.636 0.022 2 102 124 35 LEU CD2 C 23.413 0.011 2 103 124 35 LEU CG C 26.868 0.076 1 104 124 35 LEU N N 121.618 0.032 1 105 125 36 GLY H H 8.517 0.005 1 106 125 36 GLY HA2 H 3.918 0.022 2 107 125 36 GLY CA C 46.319 0.003 1 108 125 36 GLY N N 109.787 0.036 1 109 126 37 GLY H H 8.37 0.004 1 110 126 37 GLY HA2 H 3.892 0.012 1 111 126 37 GLY HA3 H 3.764 0.005 1 112 126 37 GLY CA C 45.131 0 1 113 126 37 GLY N N 109.257 0.03 1 114 127 38 TYR H H 7.768 0.02 1 115 127 38 TYR HA H 4.407 0.006 1 116 127 38 TYR HB2 H 2.926 0.016 1 117 127 38 TYR HB3 H 2.869 0.015 1 118 127 38 TYR HD1 H 6.846 0.02 3 119 127 38 TYR CA C 58.272 0.046 1 120 127 38 TYR CB C 39.964 0.08 1 121 127 38 TYR N N 117.928 0.038 1 122 128 39 MET H H 9.092 0.006 1 123 128 39 MET HA H 4.497 0.026 1 124 128 39 MET HB2 H 1.02 0.013 1 125 128 39 MET HB3 H 1.586 0.008 1 126 128 39 MET HE H 1.972 0.006 1 127 128 39 MET HG2 H 2.004 0.004 1 128 128 39 MET HG3 H 2.205 0.02 1 129 128 39 MET CA C 53.662 0.157 1 130 128 39 MET CB C 34.445 0.106 1 131 128 39 MET CE C 17.179 0.051 1 132 128 39 MET CG C 31.817 0.02 1 133 128 39 MET N N 121.38 0.028 1 134 129 40 LEU H H 8.047 0.006 1 135 129 40 LEU HA H 4.521 0.018 1 136 129 40 LEU HB2 H 0.995 0.019 1 137 129 40 LEU HB3 H 1.614 0.006 1 138 129 40 LEU HD1 H 0.605 0.008 1 139 129 40 LEU HD2 H -0.009 0.003 1 140 129 40 LEU HG H 1.402 0.017 1 141 129 40 LEU CA C 53.282 0.02 1 142 129 40 LEU CB C 43.596 0.053 1 143 129 40 LEU CD1 C 25.66 0.087 2 144 129 40 LEU CD2 C 21.819 0 2 145 129 40 LEU CG C 25.886 0.063 1 146 129 40 LEU N N 121.425 0.094 1 147 130 41 GLY H H 9.334 0.007 1 148 130 41 GLY HA2 H 4.136 0.012 1 149 130 41 GLY HA3 H 4.429 0.02 1 150 130 41 GLY CA C 44.997 0.119 1 151 130 41 GLY N N 114.989 0.038 1 152 131 42 SER H H 8.343 0.007 1 153 131 42 SER HA H 4.405 0.008 1 154 131 42 SER HB2 H 3.957 0.007 1 155 131 42 SER HB3 H 3.924 0.014 1 156 131 42 SER CA C 58.54 0.06 1 157 131 42 SER CB C 63.971 0.113 1 158 131 42 SER N N 113.553 0.107 1 159 132 43 ALA H H 8.602 0.008 1 160 132 43 ALA HA H 4.385 0.009 1 161 132 43 ALA HB H 1.264 0.008 1 162 132 43 ALA CA C 52.943 0.039 1 163 132 43 ALA CB C 18.304 0.089 1 164 132 43 ALA N N 124.849 0.041 1 165 133 44 MET H H 8.823 0.01 1 166 133 44 MET HA H 4.736 0.017 1 167 133 44 MET HB2 H 1.956 0.01 1 168 133 44 MET HB3 H 2.075 0.014 1 169 133 44 MET HE H 1.896 0.017 1 170 133 44 MET HG2 H 2.526 0.022 1 171 133 44 MET HG3 H 2.448 0.013 1 172 133 44 MET CA C 53.888 0.094 1 173 133 44 MET CB C 36.668 0.13 1 174 133 44 MET CE C 16.613 0.013 1 175 133 44 MET CG C 31.218 0.044 1 176 133 44 MET N N 121.763 0.035 1 177 134 45 SER H H 8.429 0.004 1 178 134 45 SER HA H 4.339 0.009 1 179 134 45 SER HB2 H 3.806 0.026 1 180 134 45 SER HB3 H 3.717 0.026 1 181 134 45 SER CA C 58.634 0.087 1 182 134 45 SER CB C 62.999 0.089 1 183 134 45 SER N N 116.318 0.071 1 184 135 46 ARG H H 8.596 0.003 1 185 135 46 ARG HA H 4.383 0.012 1 186 135 46 ARG HB2 H 1.807 0.002 1 187 135 46 ARG HB3 H 1.855 0.016 1 188 135 46 ARG HD2 H 3.134 0.028 1 189 135 46 ARG HD3 H 3.03 0.015 1 190 135 46 ARG HG2 H 1.754 0.002 2 191 135 46 ARG CA C 54.91 0.012 1 192 135 46 ARG CB C 28.881 0.112 1 193 135 46 ARG CD C 43.923 0.031 1 194 135 46 ARG N N 126.099 0.067 1 195 136 47 PRO HA H 4.389 0.014 1 196 136 47 PRO HB2 H 1.77 0.006 1 197 136 47 PRO HB3 H 2.247 0.034 1 198 136 47 PRO HD2 H 3.643 0.01 1 199 136 47 PRO HD3 H 3.813 0.072 1 200 136 47 PRO HG2 H 2.041 0.019 1 201 136 47 PRO HG3 H 1.778 0.007 1 202 136 47 PRO CA C 62.452 0.054 1 203 136 47 PRO CB C 32.209 0.103 1 204 136 47 PRO CD C 50.632 0.06 1 205 136 47 PRO CG C 27.527 0.097 1 206 137 48 LEU H H 8.664 0.007 1 207 137 48 LEU HA H 4.556 0.011 1 208 137 48 LEU HB2 H 1.538 0.031 1 209 137 48 LEU HB3 H 1.682 0.023 1 210 137 48 LEU HD1 H 0.907 0.007 1 211 137 48 LEU HD2 H 0.87 0.006 1 212 137 48 LEU HG H 1.626 0.032 1 213 137 48 LEU CA C 54.281 0.11 1 214 137 48 LEU CB C 40.213 0.041 1 215 137 48 LEU CD1 C 24.689 0 2 216 137 48 LEU CD2 C 23.462 0.105 2 217 137 48 LEU CG C 27.11 0 1 218 137 48 LEU N N 125.044 0.053 1 219 138 49 ILE H H 6.973 0.005 1 220 138 49 ILE HA H 3.929 0.016 1 221 138 49 ILE HB H 1.149 0.034 1 222 138 49 ILE HD1 H 0.401 0.014 1 223 138 49 ILE HG12 H 0.879 0.006 1 224 138 49 ILE HG13 H 0.699 0.008 1 225 138 49 ILE HG2 H 0.036 0.003 1 226 138 49 ILE CA C 59.484 0.054 1 227 138 49 ILE CB C 39.716 0.088 1 228 138 49 ILE CD1 C 13.18 0.007 1 229 138 49 ILE CG1 C 26.634 0.034 1 230 138 49 ILE CG2 C 16.919 0.034 1 231 138 49 ILE N N 122.356 0.032 1 232 139 50 HIS H H 8.296 0.006 1 233 139 50 HIS HA H 4.929 0.01 1 234 139 50 HIS HB2 H 2.984 0.017 1 235 139 50 HIS HB3 H 3.273 0.017 1 236 139 50 HIS HD1 H 12.632 0.003 1 237 139 50 HIS HE1 H 7.252 0 1 238 139 50 HIS CA C 54.177 0.072 1 239 139 50 HIS CB C 29.344 0.072 1 240 139 50 HIS N N 121.999 0.068 1 241 140 51 PHE H H 10.346 0.005 1 242 140 51 PHE HA H 4.217 0.028 1 243 140 51 PHE HB2 H 2.838 0.019 1 244 140 51 PHE HB3 H 3.336 0.033 1 245 140 51 PHE HD1 H 7.373 0.016 1 246 140 51 PHE HD2 H 7.373 0.016 1 247 140 51 PHE HE2 H 6.938 0.013 3 248 140 51 PHE HZ H 7.271 0.014 1 249 140 51 PHE CA C 59.802 0.164 1 250 140 51 PHE CB C 40.226 0.024 1 251 140 51 PHE N N 125.148 0.025 1 252 141 52 GLY H H 9.018 0.005 1 253 141 52 GLY HA2 H 3.707 0.006 1 254 141 52 GLY HA3 H 4.114 0.001 1 255 141 52 GLY CA C 45.75 0.037 1 256 141 52 GLY N N 108.836 0.032 1 257 142 53 ASN H H 7.228 0.007 1 258 142 53 ASN HA H 4.858 0.009 1 259 142 53 ASN HB2 H 2.851 0.018 1 260 142 53 ASN HB3 H 2.793 0.036 1 261 142 53 ASN CA C 52.634 0.069 1 262 142 53 ASN CB C 41.523 0.081 1 263 142 53 ASN N N 114.629 0.074 1 264 143 54 ASP H H 8.968 0.007 1 265 143 54 ASP HA H 4.429 0.015 1 266 143 54 ASP HB2 H 2.718 0.002 1 267 143 54 ASP HB3 H 2.846 0.004 1 268 143 54 ASP CA C 57.714 0.128 1 269 143 54 ASP CB C 41.097 0.042 1 270 143 54 ASP N N 123.768 0.045 1 271 144 55 TYR H H 8.356 0.006 1 272 144 55 TYR HA H 4.215 0.008 1 273 144 55 TYR HB2 H 3.043 0.016 1 274 144 55 TYR HB3 H 3.221 0.008 1 275 144 55 TYR HD1 H 7.08 0.008 3 276 144 55 TYR CA C 61.755 0.182 1 277 144 55 TYR CB C 37.613 0.025 1 278 144 55 TYR N N 120.11 0.055 1 279 145 56 GLU H H 8.317 0.007 1 280 145 56 GLU HA H 3.53 0.017 1 281 145 56 GLU HB2 H 1.383 0.013 1 282 145 56 GLU HB3 H 1.884 0.013 1 283 145 56 GLU HG2 H 1.843 0.007 1 284 145 56 GLU HG3 H 2.469 0.018 1 285 145 56 GLU CA C 59.786 0.013 1 286 145 56 GLU CB C 29.537 0.177 1 287 145 56 GLU CG C 37.956 0.278 1 288 145 56 GLU N N 119.541 0.079 1 289 146 57 ASP H H 8.043 0.006 1 290 146 57 ASP HA H 4.669 0.021 1 291 146 57 ASP HB2 H 2.722 0.005 1 292 146 57 ASP HB3 H 2.924 0.02 1 293 146 57 ASP CA C 58.581 0.067 1 294 146 57 ASP CB C 41.15 0.183 1 295 146 57 ASP N N 118.238 0.051 1 296 147 58 ARG H H 8.065 0.005 1 297 147 58 ARG HA H 3.999 0.009 1 298 147 58 ARG HB3 H 1.92 0.006 1 299 147 58 ARG HD3 H 3.197 0.015 1 300 147 58 ARG HG2 H 1.541 0.034 1 301 147 58 ARG HG3 H 1.736 0.011 1 302 147 58 ARG CA C 59.497 0.034 1 303 147 58 ARG CB C 29.72 0.001 1 304 147 58 ARG CG C 27.69 0.105 1 305 147 58 ARG N N 120.033 0.051 1 306 148 59 TYR H H 8.441 0.005 1 307 148 59 TYR HA H 3.843 0.012 1 308 148 59 TYR HB2 H 2.568 0.024 1 309 148 59 TYR HB3 H 2.748 0.017 1 310 148 59 TYR HD1 H 6.854 0.011 1 311 148 59 TYR HD2 H 6.854 0.011 1 312 148 59 TYR HE1 H 6.893 0.016 3 313 148 59 TYR CA C 62.005 0.044 1 314 148 59 TYR CB C 38.563 0.043 1 315 148 59 TYR N N 121.153 0.044 1 316 149 60 TYR H H 8.824 0.005 1 317 149 60 TYR HA H 4.276 0.02 1 318 149 60 TYR HB3 H 3.226 0.009 1 319 149 60 TYR HD1 H 6.868 0.035 3 320 149 60 TYR HE2 H 7.323 0 3 321 149 60 TYR CA C 61.341 0.136 1 322 149 60 TYR CB C 38.527 0.047 1 323 149 60 TYR N N 119.254 0.055 1 324 150 61 ARG H H 7.636 0.006 1 325 150 61 ARG HA H 3.527 0.109 1 326 150 61 ARG HB3 H 1.932 0.013 1 327 150 61 ARG HD3 H 3.259 0 1 328 150 61 ARG HG2 H 1.671 0.015 2 329 150 61 ARG CA C 59.78 0.003 1 330 150 61 ARG CB C 29.548 0.151 1 331 150 61 ARG CD C 43.44 0 1 332 150 61 ARG CG C 28.173 0 1 333 150 61 ARG N N 116.633 0.04 1 334 151 62 GLU H H 7.95 0.006 1 335 151 62 GLU HA H 4.058 0.017 1 336 151 62 GLU HB2 H 1.827 0.003 1 337 151 62 GLU HB3 H 1.959 0.014 1 338 151 62 GLU HG2 H 2.344 0.092 1 339 151 62 GLU HG3 H 2.296 0.031 1 340 151 62 GLU CA C 57.826 0.248 1 341 151 62 GLU CB C 30.277 0.326 1 342 151 62 GLU CG C 36.181 0.069 1 343 151 62 GLU N N 115.576 0.047 1 344 152 63 ASN H H 7.553 0.006 1 345 152 63 ASN HA H 4.596 0.022 1 346 152 63 ASN HB2 H 2.337 0 1 347 152 63 ASN HB3 H 2.272 0 1 348 152 63 ASN HD21 H 6.717 0.042 2 349 152 63 ASN HD22 H 6.545 0 2 350 152 63 ASN CA C 54.437 0.065 1 351 152 63 ASN CB C 40.772 0.105 1 352 152 63 ASN N N 115.294 0.037 1 353 153 64 MET H H 7.492 0.004 1 354 153 64 MET HA H 3.675 0.009 1 355 153 64 MET HB2 H 1.796 0.007 1 356 153 64 MET HB3 H 1.611 0.012 1 357 153 64 MET HE H 1.825 0.012 1 358 153 64 MET HG2 H 2.093 0.008 2 359 153 64 MET CA C 59.799 0.052 1 360 153 64 MET CB C 32.467 0.07 1 361 153 64 MET CE C 16.672 0.097 1 362 153 64 MET CG C 30.594 0 1 363 153 64 MET N N 118.844 0.046 1 364 154 65 TYR H H 7.628 0.007 1 365 154 65 TYR HA H 4.227 0.012 1 366 154 65 TYR HB2 H 2.96 0.001 1 367 154 65 TYR HB3 H 3.028 0.013 1 368 154 65 TYR HD1 H 7.102 0.014 3 369 154 65 TYR HE1 H 6.933 0.007 3 370 154 65 TYR HE2 H 7.353 0.012 3 371 154 65 TYR CA C 59.173 0.015 1 372 154 65 TYR CB C 36.42 0.052 1 373 154 65 TYR N N 114.481 0.03 1 374 155 66 ARG H H 7.602 0.004 1 375 155 66 ARG HA H 4.014 0.016 1 376 155 66 ARG HB2 H 1.986 0.002 1 377 155 66 ARG HB3 H 1.777 0.002 1 378 155 66 ARG HD2 H 3.107 0.038 1 379 155 66 ARG HD3 H 3.179 0.016 1 380 155 66 ARG HE H 6.882 0.004 1 381 155 66 ARG HG2 H 1.321 0.068 1 382 155 66 ARG HG3 H 1.395 0.154 1 383 155 66 ARG CA C 56.664 0.049 1 384 155 66 ARG CB C 30.737 0.007 1 385 155 66 ARG CD C 44.18 0.043 1 386 155 66 ARG CG C 27.162 0.159 1 387 155 66 ARG N N 118.696 0.043 1 388 156 67 TYR H H 7.32 0.008 1 389 156 67 TYR HA H 4.978 0.017 1 390 156 67 TYR HB2 H 2.97 0.015 1 391 156 67 TYR HB3 H 3.183 0.002 1 392 156 67 TYR HD1 H 7.033 0.025 3 393 156 67 TYR HD2 H 7.316 0 3 394 156 67 TYR CA C 53.672 0.203 1 395 156 67 TYR CB C 38.31 2.231 1 396 156 67 TYR N N 119.564 0.063 1 397 157 68 PRO HA H 4.401 0.019 1 398 157 68 PRO HB2 H 1.714 0.011 1 399 157 68 PRO HB3 H 2.376 0.003 1 400 157 68 PRO HD2 H 3.829 0.006 1 401 157 68 PRO HD3 H 3.547 0.148 1 402 157 68 PRO HG2 H 2.018 0.005 1 403 157 68 PRO HG3 H 1.754 0.023 1 404 157 68 PRO CA C 63.459 0.041 1 405 157 68 PRO CB C 32.387 0.065 1 406 157 68 PRO CD C 50.668 0.176 1 407 157 68 PRO CG C 27.392 0.075 1 408 158 69 ASN H H 8.473 0.005 1 409 158 69 ASN HA H 4.72 0.017 1 410 158 69 ASN HB2 H 3.646 0.011 1 411 158 69 ASN HB3 H 2.426 0.008 1 412 158 69 ASN CA C 51.835 0.121 1 413 158 69 ASN CB C 38.273 0.055 1 414 158 69 ASN N N 115.721 0.057 1 415 159 70 GLN H H 7.188 0.007 1 416 159 70 GLN HA H 4.585 0.016 1 417 159 70 GLN HB2 H 2.135 0.015 1 418 159 70 GLN HB3 H 2.01 0.013 1 419 159 70 GLN HE21 H 6.763 0 2 420 159 70 GLN HG2 H 2.375 0.021 1 421 159 70 GLN HG3 H 2.375 0.021 1 422 159 70 GLN CA C 54.195 0.052 1 423 159 70 GLN CB C 34.185 0.104 1 424 159 70 GLN N N 114.047 0.045 1 425 160 71 VAL H H 8.521 0.008 1 426 160 71 VAL HA H 4.924 0.011 1 427 160 71 VAL HB H 2.608 0.004 1 428 160 71 VAL HG1 H 0.942 0.01 1 429 160 71 VAL HG2 H 0.757 0.01 1 430 160 71 VAL CA C 58.585 0.067 1 431 160 71 VAL CB C 33.8 0.06 1 432 160 71 VAL CG1 C 23.415 0 2 433 160 71 VAL CG2 C 18.505 0.065 2 434 160 71 VAL N N 112.854 0.074 1 435 161 72 TYR H H 8.423 0.008 1 436 161 72 TYR HA H 5.578 0.012 1 437 161 72 TYR HB2 H 2.636 0.015 1 438 161 72 TYR HB3 H 2.584 0.013 1 439 161 72 TYR HD1 H 6.913 0.021 3 440 161 72 TYR HD2 H 6.652 0.013 3 441 161 72 TYR HE1 H 6.33 0.014 3 442 161 72 TYR HE2 H 6.856 0.011 3 443 161 72 TYR CA C 57.105 0.212 1 444 161 72 TYR CB C 41.841 0.061 1 445 161 72 TYR N N 121.05 0.043 1 446 162 73 TYR H H 8.594 0.008 1 447 162 73 TYR HA H 4.87 0.011 1 448 162 73 TYR HB2 H 2.719 0.01 1 449 162 73 TYR HB3 H 2.858 0.008 1 450 162 73 TYR HD1 H 7.181 0.013 3 451 162 73 TYR HE1 H 6.512 0.037 3 452 162 73 TYR CA C 56.02 0.043 1 453 162 73 TYR CB C 40.17 0.041 1 454 162 73 TYR N N 111.169 0.085 1 455 163 74 ARG H H 7.94 0.007 1 456 163 74 ARG HA H 4.634 0.02 1 457 163 74 ARG HD2 H 3.011 0 2 458 163 74 ARG HG3 H 1.663 0.022 1 459 163 74 ARG CA C 54.184 0.03 1 460 163 74 ARG N N 120.511 0.033 1 461 164 75 PRO HA H 4.599 0.014 1 462 164 75 PRO HB2 H 2.499 0.007 1 463 164 75 PRO HB3 H 1.99 0.009 1 464 164 75 PRO HD2 H 3.652 0.019 1 465 164 75 PRO HD3 H 3.426 0.012 1 466 164 75 PRO HG2 H 2.062 0.018 1 467 164 75 PRO HG3 H 2.062 0.018 1 468 164 75 PRO CA C 63.53 0.027 1 469 164 75 PRO CB C 32.73 0.029 1 470 164 75 PRO CD C 50.243 0.189 1 471 165 76 VAL H H 8.578 0.003 1 472 165 76 VAL HA H 4.308 0.009 1 473 165 76 VAL HB H 2.112 0.016 1 474 165 76 VAL HG1 H 0.85 0.011 1 475 165 76 VAL HG2 H 0.86 0.007 1 476 165 76 VAL CA C 65.614 0.079 1 477 165 76 VAL CB C 32.382 0.122 1 478 165 76 VAL CG1 C 21.27 0.055 2 479 165 76 VAL CG2 C 21.806 0.04 2 480 165 76 VAL N N 118.423 0.036 1 481 166 77 ASP H H 8.298 0.007 1 482 166 77 ASP HA H 4.61 0.007 1 483 166 77 ASP HB2 H 2.693 0.011 1 484 166 77 ASP HB3 H 2.904 0.011 1 485 166 77 ASP CA C 54.527 0.046 1 486 166 77 ASP CB C 39.877 0.055 1 487 166 77 ASP N N 117.497 0.055 1 488 167 78 GLN H H 8.254 0.005 1 489 167 78 GLN HA H 4.11 0.007 1 490 167 78 GLN HB2 H 1.725 0.016 1 491 167 78 GLN HB3 H 1.886 0.019 1 492 167 78 GLN HG2 H 2.201 0.013 1 493 167 78 GLN HG3 H 2.215 0.004 1 494 167 78 GLN CA C 55.884 0.07 1 495 167 78 GLN CB C 27.466 0.051 1 496 167 78 GLN CG C 34.205 0.022 1 497 167 78 GLN N N 117.402 0.037 1 498 168 79 TYR H H 7.889 0.006 1 499 168 79 TYR HA H 4.943 0.015 1 500 168 79 TYR HB2 H 3.041 0.024 1 501 168 79 TYR HB3 H 3.309 0.011 1 502 168 79 TYR HD1 H 7.328 0.009 3 503 168 79 TYR CA C 56.965 0.049 1 504 168 79 TYR CB C 42.31 0.068 1 505 168 79 TYR N N 117.023 0.042 1 506 169 80 SER H H 9.153 0.007 1 507 169 80 SER HA H 4.54 0.012 1 508 169 80 SER HB2 H 3.984 0.014 1 509 169 80 SER HB3 H 3.984 0.014 1 510 169 80 SER CA C 59.113 0.125 1 511 169 80 SER CB C 64.062 0.023 1 512 169 80 SER N N 115.122 0.05 1 513 170 81 ASN H H 7.611 0.011 1 514 170 81 ASN HA H 4.751 0.017 1 515 170 81 ASN HB2 H 2.996 0.012 1 516 170 81 ASN HB3 H 3.176 0.017 1 517 170 81 ASN CA C 52.416 0.118 1 518 170 81 ASN CB C 40.106 0.051 1 519 170 81 ASN N N 114.507 0.037 1 520 171 82 GLN H H 8.584 0.005 1 521 171 82 GLN HA H 3.75 0.008 1 522 171 82 GLN HG2 H 2.716 0.005 1 523 171 82 GLN HG3 H 2.478 0.006 1 524 171 82 GLN CA C 58.943 0.059 1 525 171 82 GLN CB C 29.483 0.218 1 526 171 82 GLN CG C 33.672 0.05 1 527 171 82 GLN N N 119.651 0.033 1 528 172 83 ASN H H 8.412 0.005 1 529 172 83 ASN HA H 4.211 0.018 1 530 172 83 ASN HB2 H 2.742 0.004 1 531 172 83 ASN HB3 H 2.665 0.019 1 532 172 83 ASN CA C 56.41 0.037 1 533 172 83 ASN CB C 37.536 0.151 1 534 172 83 ASN N N 117.522 0.064 1 535 173 84 ASN H H 8.57 0.008 1 536 173 84 ASN HA H 4.571 0.01 1 537 173 84 ASN HB2 H 2.932 0.004 1 538 173 84 ASN HB3 H 3.218 0.009 1 539 173 84 ASN CA C 56.075 0.048 1 540 173 84 ASN CB C 38.254 0.087 1 541 173 84 ASN N N 118.408 0.041 1 542 174 85 PHE H H 7.196 0.011 1 543 174 85 PHE HB2 H 2.882 0.016 1 544 174 85 PHE HB3 H 2.745 0.014 1 545 174 85 PHE HE1 H 7.191 0.004 3 546 174 85 PHE CA C 60.971 0.002 1 547 174 85 PHE CB C 38.765 0.044 1 548 174 85 PHE N N 121.739 0.058 1 549 175 86 VAL H H 8.884 0.011 1 550 175 86 VAL HA H 3.409 0.02 1 551 175 86 VAL HB H 2.194 0.011 1 552 175 86 VAL HG1 H 1.044 0.01 1 553 175 86 VAL HG2 H 1.057 0.014 1 554 175 86 VAL CA C 67.541 0.046 1 555 175 86 VAL CB C 32 0.004 1 556 175 86 VAL CG1 C 22.154 0.061 2 557 175 86 VAL CG2 C 24.687 0.056 2 558 175 86 VAL N N 120.294 0.032 1 559 176 87 HIS H H 8.388 0.009 1 560 176 87 HIS HA H 4.312 0.007 1 561 176 87 HIS HB2 H 3.334 0.021 1 562 176 87 HIS HB3 H 3.334 0.021 1 563 176 87 HIS HE1 H 7.215 0 1 564 176 87 HIS CA C 59.247 0.043 1 565 176 87 HIS CB C 28.422 0.049 1 566 176 87 HIS N N 116.512 0.05 1 567 177 88 ASP H H 7.397 0.011 1 568 177 88 ASP HA H 4.57 0.012 1 569 177 88 ASP HB2 H 3.001 0.033 1 570 177 88 ASP HB3 H 2.952 0.033 1 571 177 88 ASP CA C 57.27 0.039 1 572 177 88 ASP CB C 41.323 0.155 1 573 177 88 ASP N N 118.488 0.041 1 574 178 89 CYS H H 8.114 0.009 1 575 178 89 CYS HA H 4.686 0.024 1 576 178 89 CYS HB2 H 3.061 0.137 1 577 178 89 CYS HB3 H 3.248 0.013 1 578 178 89 CYS CA C 58.693 0.107 1 579 178 89 CYS CB C 41.067 0.064 1 580 178 89 CYS N N 119.324 0.056 1 581 179 90 VAL H H 9.207 0.005 1 582 179 90 VAL HA H 3.661 0.017 1 583 179 90 VAL HB H 2.149 0.011 1 584 179 90 VAL HG1 H 1.063 0.015 1 585 179 90 VAL HG2 H 0.953 0.008 1 586 179 90 VAL CA C 66.155 0.11 1 587 179 90 VAL CB C 31.818 0.065 1 588 179 90 VAL CG1 C 23.423 0.033 2 589 179 90 VAL CG2 C 21.244 0.097 2 590 179 90 VAL N N 124.164 0.044 1 591 180 91 ASN H H 7.668 0.008 1 592 180 91 ASN HA H 4.307 0.008 1 593 180 91 ASN HB2 H 2.87 0.004 1 594 180 91 ASN HB3 H 2.817 0.024 1 595 180 91 ASN CA C 56.685 0.052 1 596 180 91 ASN CB C 38.864 0.046 1 597 180 91 ASN N N 116.623 0.046 1 598 181 92 ILE H H 8.649 0.009 1 599 181 92 ILE HA H 3.766 0.019 1 600 181 92 ILE HB H 1.608 0.022 1 601 181 92 ILE HD1 H 0.416 0.016 1 602 181 92 ILE HG12 H 0.988 0.015 1 603 181 92 ILE HG13 H 0.826 0.014 1 604 181 92 ILE HG2 H 0.247 0.012 1 605 181 92 ILE CA C 62.054 0.056 1 606 181 92 ILE CB C 36.465 0.071 1 607 181 92 ILE CD1 C 10.981 0.027 1 608 181 92 ILE CG1 C 27.518 0.085 1 609 181 92 ILE CG2 C 18.449 0.06 1 610 181 92 ILE N N 118.063 0.051 1 611 182 93 THR H H 8.097 0.003 1 612 182 93 THR HA H 4.087 0.016 1 613 182 93 THR HB H 4.495 0.018 1 614 182 93 THR HG2 H 1.48 0.012 1 615 182 93 THR CA C 68.575 0.117 1 616 182 93 THR CB C 68.447 0.037 1 617 182 93 THR CG2 C 22.227 0.024 1 618 182 93 THR N N 118.121 0.033 1 619 183 94 VAL H H 8.804 0.006 1 620 183 94 VAL HA H 3.617 0.018 1 621 183 94 VAL HB H 2.285 0.013 1 622 183 94 VAL HG1 H 1.017 0.021 1 623 183 94 VAL HG2 H 0.935 0.022 1 624 183 94 VAL CA C 67.793 0.052 1 625 183 94 VAL CB C 31.418 0.032 1 626 183 94 VAL CG1 C 23.429 0.051 2 627 183 94 VAL CG2 C 20.96 0.078 2 628 183 94 VAL N N 120.768 0.059 1 629 184 95 LYS H H 7.888 0.008 1 630 184 95 LYS HA H 4.053 0.008 1 631 184 95 LYS HB2 H 1.901 0.024 1 632 184 95 LYS HB3 H 1.948 0.015 1 633 184 95 LYS HD2 H 1.634 0.023 1 634 184 95 LYS HD3 H 1.634 0.023 1 635 184 95 LYS HE2 H 2.919 0.009 1 636 184 95 LYS HE3 H 2.919 0.009 1 637 184 95 LYS HG2 H 1.429 0.002 1 638 184 95 LYS HG3 H 1.494 0.01 1 639 184 95 LYS CA C 60.052 0.06 1 640 184 95 LYS CB C 32.164 0.055 1 641 184 95 LYS CD C 29.013 0.019 1 642 184 95 LYS CE C 41.816 0.061 1 643 184 95 LYS CG C 24.836 0 1 644 184 95 LYS N N 121.424 0.07 1 645 185 96 GLN H H 8.339 0.019 1 646 185 96 GLN HA H 4.021 0 1 647 185 96 GLN HB2 H 2.127 0.016 1 648 185 96 GLN HB3 H 2.127 0.016 1 649 185 96 GLN HE22 H 6.806 0.003 2 650 185 96 GLN HG2 H 2.555 0 1 651 185 96 GLN HG3 H 2.353 0.006 1 652 185 96 GLN CB C 28.352 0.019 1 653 185 96 GLN N N 116.514 0.089 1 654 186 97 HIS HA H 4.588 0.01 1 655 186 97 HIS HB2 H 3.4 0.016 1 656 186 97 HIS HB3 H 3.156 0.008 1 657 186 97 HIS HE1 H 7.854 0.018 1 658 186 97 HIS CA C 59.63 0.33 1 659 186 97 HIS CB C 31.38 0.537 1 660 187 98 THR H H 8.126 0.018 1 661 187 98 THR HA H 4.191 0.047 1 662 187 98 THR HG2 H 1.297 0.014 1 663 187 98 THR CA C 64.728 0.239 1 664 187 98 THR CB C 69.034 0.146 1 665 187 98 THR CG2 C 21.681 0.103 1 666 187 98 THR N N 112.872 0.138 1 667 188 99 VAL H H 7.983 0.012 1 668 188 99 VAL HA H 4.032 0.016 1 669 188 99 VAL HB H 2.195 0.008 1 670 188 99 VAL HG1 H 1.212 0.011 1 671 188 99 VAL HG2 H 0.741 0.017 1 672 188 99 VAL CA C 65.028 0.069 1 673 188 99 VAL CB C 32.087 0 1 674 188 99 VAL CG1 C 21.351 0.066 1 675 188 99 VAL CG2 C 23.415 0 1 676 188 99 VAL N N 122.052 0.069 1 677 189 100 THR H H 8.108 0.004 1 678 189 100 THR HA H 4.214 0 1 679 189 100 THR HB H 4.067 0.004 1 680 189 100 THR HG2 H 1.25 0 1 681 189 100 THR CA C 64.165 0.009 1 682 189 100 THR CB C 69.393 0 1 683 189 100 THR CG2 C 21.79 0 1 684 189 100 THR N N 115.612 0.035 1 685 190 101 THR H H 7.996 0.009 1 686 190 101 THR HA H 4.215 0.027 1 687 190 101 THR HB H 4.369 0.091 1 688 190 101 THR HG2 H 0.981 0.008 1 689 190 101 THR CA C 64.038 0.016 1 690 190 101 THR CB C 68.987 0.243 1 691 190 101 THR CG2 C 21.509 0 1 692 190 101 THR N N 115.036 0.033 1 693 191 102 THR H H 8.15 0.005 1 694 191 102 THR HA H 4.379 0.017 1 695 191 102 THR HB H 4.311 0.012 1 696 191 102 THR HG2 H 1.321 0.028 1 697 191 102 THR CA C 64.513 0.435 1 698 191 102 THR CB C 69.327 0.037 1 699 191 102 THR CG2 C 21.52 0.027 1 700 191 102 THR N N 116.294 0.074 1 701 192 103 THR H H 7.989 0.004 1 702 192 103 THR HA H 4.235 0.017 1 703 192 103 THR HG2 H 1.249 0.004 1 704 192 103 THR CA C 64.039 0.045 1 705 192 103 THR CB C 69.274 0.095 1 706 192 103 THR CG2 C 21.779 0 1 707 192 103 THR N N 116.279 0.061 1 708 193 104 LYS H H 7.838 0.016 1 709 193 104 LYS HA H 4.384 0.018 1 710 193 104 LYS HB2 H 1.842 0.032 1 711 193 104 LYS HB3 H 2.008 0.015 1 712 193 104 LYS HD2 H 1.681 0.019 1 713 193 104 LYS HD3 H 1.681 0.019 1 714 193 104 LYS HE2 H 2.95 0.005 1 715 193 104 LYS HE3 H 2.95 0.005 1 716 193 104 LYS HG3 H 1.492 0.018 1 717 193 104 LYS CA C 56.471 0.156 1 718 193 104 LYS CB C 32.584 0.093 1 719 193 104 LYS CD C 29.055 0.04 1 720 193 104 LYS CE C 41.812 0.106 1 721 193 104 LYS CG C 24.957 0.064 1 722 193 104 LYS N N 121.006 0.054 1 723 194 105 GLY H H 8.087 0.011 1 724 194 105 GLY HA2 H 3.82 0.013 1 725 194 105 GLY HA3 H 4.069 0.014 1 726 194 105 GLY CA C 45.49 0.02 1 727 194 105 GLY N N 108.808 0.052 1 728 195 106 GLU H H 7.739 0.011 1 729 195 106 GLU HA H 4.278 0.011 1 730 195 106 GLU HB2 H 1.627 0.012 2 731 195 106 GLU HG2 H 1.94 0.023 1 732 195 106 GLU HG3 H 2.068 0.011 1 733 195 106 GLU CA C 55.496 0.084 1 734 195 106 GLU CB C 30.99 0.244 1 735 195 106 GLU CG C 35.861 0.15 1 736 195 106 GLU N N 119.963 0.023 1 737 196 107 ASN H H 8.434 0.005 1 738 196 107 ASN HA H 4.709 0.02 1 739 196 107 ASN HB2 H 2.565 0.079 1 740 196 107 ASN HB3 H 2.625 0.022 1 741 196 107 ASN CA C 53.894 0.016 1 742 196 107 ASN CB C 40.861 0.001 1 743 196 107 ASN N N 119.635 0.025 1 744 197 108 PHE H H 8.557 0.009 1 745 197 108 PHE HA H 5.277 0.08 1 746 197 108 PHE HB2 H 2.968 0.009 1 747 197 108 PHE HB3 H 3.194 0.018 1 748 197 108 PHE HD1 H 7.346 0.016 3 749 197 108 PHE HD2 H 7.499 0.021 3 750 197 108 PHE HE1 H 6.932 0.015 3 751 197 108 PHE HE2 H 6.655 0.011 3 752 197 108 PHE CA C 56.627 0.141 1 753 197 108 PHE CB C 40.42 0.094 1 754 197 108 PHE N N 121.831 0.111 1 755 198 109 THR H H 9.544 0.007 1 756 198 109 THR HA H 4.627 0.019 1 757 198 109 THR HB H 4.799 0.03 1 758 198 109 THR HG2 H 1.422 0.011 1 759 198 109 THR CA C 60.468 0.106 1 760 198 109 THR CB C 72.135 0.069 1 761 198 109 THR CG2 C 21.649 0.054 1 762 198 109 THR N N 115.81 0.04 1 763 199 110 GLU H H 9.056 0.005 1 764 199 110 GLU HA H 4.047 0.01 1 765 199 110 GLU HB2 H 2.106 0.008 1 766 199 110 GLU HB3 H 2.077 0.007 1 767 199 110 GLU HG2 H 2.375 0.025 1 768 199 110 GLU HG3 H 2.319 0.008 1 769 199 110 GLU CA C 60.012 0.07 1 770 199 110 GLU CB C 28.963 0.092 1 771 199 110 GLU CG C 36.475 0.189 1 772 199 110 GLU N N 119.649 0.021 1 773 200 111 THR H H 7.915 0.005 1 774 200 111 THR HA H 3.763 0.033 1 775 200 111 THR HB H 3.711 0.013 1 776 200 111 THR HG2 H 0.633 0.004 1 777 200 111 THR CA C 66.764 0.112 1 778 200 111 THR CB C 68.664 0.149 1 779 200 111 THR CG2 C 20.943 0.012 1 780 200 111 THR N N 116.219 0.026 1 781 201 112 ASP H H 7.474 0.023 1 782 201 112 ASP HA H 4.53 0.016 1 783 201 112 ASP HB2 H 2.563 0.039 1 784 201 112 ASP HB3 H 3.382 0.014 1 785 201 112 ASP CA C 58.19 0.044 1 786 201 112 ASP CB C 41.982 0.119 1 787 201 112 ASP N N 119.473 0.027 1 788 202 113 ILE H H 8.076 0.005 1 789 202 113 ILE HA H 3.429 0.01 1 790 202 113 ILE HB H 1.923 0.012 1 791 202 113 ILE HD1 H 0.722 0.013 1 792 202 113 ILE HG12 H 1.281 0.019 1 793 202 113 ILE HG13 H 1.539 0.016 1 794 202 113 ILE HG2 H 0.839 0.01 1 795 202 113 ILE CA C 64.568 0.145 1 796 202 113 ILE CB C 37.366 0.156 1 797 202 113 ILE CD1 C 11.326 0.01 1 798 202 113 ILE CG1 C 28.41 0.038 1 799 202 113 ILE CG2 C 17.228 0.009 1 800 202 113 ILE N N 118.991 0.03 1 801 203 114 LYS H H 7.746 0.007 1 802 203 114 LYS HA H 4.044 0.017 1 803 203 114 LYS HB2 H 2.015 0.002 1 804 203 114 LYS HB3 H 1.903 0.027 1 805 203 114 LYS HD2 H 1.626 0.021 1 806 203 114 LYS HD3 H 1.626 0.021 1 807 203 114 LYS HE2 H 2.917 0.011 1 808 203 114 LYS HE3 H 2.917 0.011 1 809 203 114 LYS HG2 H 1.41 0.011 1 810 203 114 LYS HG3 H 1.561 0.016 1 811 203 114 LYS CA C 59.335 0.062 1 812 203 114 LYS CB C 32.356 0.112 1 813 203 114 LYS CD C 29.194 0 1 814 203 114 LYS CE C 42.073 0 1 815 203 114 LYS CG C 25.016 0.037 1 816 203 114 LYS N N 119.513 0.036 1 817 204 115 ILE H H 7.979 0.006 1 818 204 115 ILE HA H 3.621 0.014 1 819 204 115 ILE HB H 1.933 0.01 1 820 204 115 ILE HD1 H 0.648 0.017 1 821 204 115 ILE HG12 H 0.818 0.005 1 822 204 115 ILE HG13 H 1.555 0.008 1 823 204 115 ILE HG2 H 0.794 0.017 1 824 204 115 ILE CA C 64.793 0.112 1 825 204 115 ILE CB C 37.41 0.186 1 826 204 115 ILE CD1 C 13.532 0.013 1 827 204 115 ILE CG1 C 28.667 0.079 1 828 204 115 ILE CG2 C 18.639 0.078 1 829 204 115 ILE N N 119.815 0.034 1 830 205 116 MET H H 8.817 0.005 1 831 205 116 MET HA H 3.444 0.017 1 832 205 116 MET HB2 H 1.757 0.077 1 833 205 116 MET HB3 H 1.977 0.014 1 834 205 116 MET HE H 1.498 0.011 1 835 205 116 MET HG2 H 2.039 0.002 1 836 205 116 MET HG3 H 2.083 0.004 1 837 205 116 MET CA C 60.101 0.019 1 838 205 116 MET CB C 33.715 0.196 1 839 205 116 MET CE C 16.23 0.064 1 840 205 116 MET CG C 32.051 0.011 1 841 205 116 MET N N 119.193 0.045 1 842 206 117 GLU H H 8.503 0.01 1 843 206 117 GLU HA H 3.629 0.014 1 844 206 117 GLU HB3 H 2.203 0.01 1 845 206 117 GLU HG2 H 2.133 0.008 1 846 206 117 GLU HG3 H 2.577 0.014 1 847 206 117 GLU CA C 60.68 0.079 1 848 206 117 GLU CB C 28.457 0.121 1 849 206 117 GLU CG C 36.727 0.351 1 850 206 117 GLU N N 117.055 0.025 1 851 207 118 ARG H H 7.215 0.004 1 852 207 118 ARG HA H 4.162 0.016 1 853 207 118 ARG HB3 H 1.897 0.016 1 854 207 118 ARG HD2 H 3.14 0.004 1 855 207 118 ARG HD3 H 3.203 0.025 1 856 207 118 ARG HE H 7.327 0.004 1 857 207 118 ARG HG2 H 1.708 0.014 1 858 207 118 ARG HG3 H 1.79 0.001 1 859 207 118 ARG CA C 58.572 0.033 1 860 207 118 ARG CB C 30.117 0.041 1 861 207 118 ARG CD C 42.955 0.061 1 862 207 118 ARG CG C 26.942 0.08 1 863 207 118 ARG N N 117.987 0.047 1 864 208 119 VAL H H 8.271 0.009 1 865 208 119 VAL HA H 3.498 0.026 1 866 208 119 VAL HB H 2.1 0.01 1 867 208 119 VAL HG1 H 1.099 0.019 1 868 208 119 VAL HG2 H 1.038 0.016 1 869 208 119 VAL CA C 66.299 0.071 1 870 208 119 VAL CB C 32.559 0.046 1 871 208 119 VAL CG1 C 21.285 0.045 2 872 208 119 VAL CG2 C 23.433 0.062 2 873 208 119 VAL N N 120.338 0.06 1 874 209 120 VAL H H 8.988 0.008 1 875 209 120 VAL HA H 3.625 0.02 1 876 209 120 VAL HB H 2.17 0.017 1 877 209 120 VAL HG1 H 0.952 0.015 1 878 209 120 VAL HG2 H 1.207 0.021 1 879 209 120 VAL CA C 66.157 0.088 1 880 209 120 VAL CB C 31.162 0.045 1 881 209 120 VAL CG1 C 24.397 0.123 2 882 209 120 VAL CG2 C 24.938 0.031 2 883 209 120 VAL N N 119.084 0.052 1 884 210 121 GLU H H 8.138 0.008 1 885 210 121 GLU HA H 3.56 0.024 1 886 210 121 GLU HB2 H 1.964 0.009 1 887 210 121 GLU HB3 H 2.176 0.024 1 888 210 121 GLU HG2 H 2.068 0 1 889 210 121 GLU HG3 H 2.159 0.008 1 890 210 121 GLU CA C 61.014 0.039 1 891 210 121 GLU CB C 29.264 0.129 1 892 210 121 GLU CG C 35.829 0 1 893 210 121 GLU N N 121.072 0.037 1 894 211 122 GLN H H 7.222 0.008 1 895 211 122 GLN HA H 3.959 0.011 1 896 211 122 GLN HB3 H 2.386 0.018 1 897 211 122 GLN HG3 H 2.463 0.014 1 898 211 122 GLN CA C 58.618 0.058 1 899 211 122 GLN CB C 27.81 0.019 1 900 211 122 GLN CG C 33.697 0.006 1 901 211 122 GLN N N 114.94 0.101 1 902 212 123 MET H H 7.987 0.005 1 903 212 123 MET HA H 4.107 0.014 1 904 212 123 MET HB2 H 2.294 0.014 1 905 212 123 MET HB3 H 2.194 0.004 1 906 212 123 MET HE H 2.175 0.02 1 907 212 123 MET HG2 H 2.495 0.012 1 908 212 123 MET HG3 H 2.741 0.018 1 909 212 123 MET CA C 59.878 0.078 1 910 212 123 MET CB C 35.521 1.014 1 911 212 123 MET CE C 17.562 0.04 1 912 212 123 MET CG C 32.412 0.027 1 913 212 123 MET N N 119.278 0.033 1 914 213 124 CYS H H 9.236 0.026 1 915 213 124 CYS HA H 4.354 0.02 1 916 213 124 CYS HB2 H 2.851 0.016 1 917 213 124 CYS HB3 H 3.541 0.013 1 918 213 124 CYS CA C 60.057 0.042 1 919 213 124 CYS CB C 42.1 0.076 1 920 213 124 CYS N N 118.973 0.03 1 921 214 125 ILE H H 8.326 0.003 1 922 214 125 ILE HA H 3.478 0.011 1 923 214 125 ILE HB H 1.968 0.02 1 924 214 125 ILE HD1 H 0.832 0.007 1 925 214 125 ILE HG2 H 0.863 0.008 1 926 214 125 ILE CA C 66.899 0.058 1 927 214 125 ILE CB C 38.302 0.014 1 928 214 125 ILE CD1 C 14.096 0.025 1 929 214 125 ILE CG2 C 16.989 0.08 1 930 214 125 ILE N N 123.509 0.063 1 931 215 126 THR H H 8.094 0.011 1 932 215 126 THR HA H 3.88 0.012 1 933 215 126 THR HB H 4.294 0.009 1 934 215 126 THR HG2 H 1.235 0.006 1 935 215 126 THR CA C 67.15 0.092 1 936 215 126 THR CB C 68.292 0.114 1 937 215 126 THR CG2 C 22.058 0.075 1 938 215 126 THR N N 118.315 0.084 1 939 216 127 GLN H H 8.758 0.015 1 940 216 127 GLN HA H 3.683 0.008 1 941 216 127 GLN HB2 H 1.687 0.013 1 942 216 127 GLN HB3 H 2.254 0.157 1 943 216 127 GLN HG3 H 1.592 0.007 1 944 216 127 GLN CA C 58.771 0.047 1 945 216 127 GLN CB C 28.249 0.082 1 946 216 127 GLN CG C 32.376 0 1 947 216 127 GLN N N 122.469 0.045 1 948 217 128 TYR H H 8.493 0.005 1 949 217 128 TYR HA H 2.937 0.013 1 950 217 128 TYR HB2 H 2.103 0.023 2 951 217 128 TYR HD1 H 6.15 0.006 3 952 217 128 TYR HE2 H 8.285 0 3 953 217 128 TYR CA C 62.076 0.068 1 954 217 128 TYR CB C 37.162 0 1 955 217 128 TYR N N 119.962 0.041 1 956 218 129 GLN H H 8.347 0.008 1 957 218 129 GLN HA H 3.737 0.017 1 958 218 129 GLN HB2 H 2.047 0.036 1 959 218 129 GLN HB3 H 2.42 0.063 1 960 218 129 GLN HG3 H 2.683 0.021 1 961 218 129 GLN CA C 59.074 0.086 1 962 218 129 GLN CB C 27.528 0.081 1 963 218 129 GLN CG C 33.783 0 1 964 218 129 GLN N N 120.182 0.094 1 965 219 130 GLN H H 8.23 0.009 1 966 219 130 GLN HA H 3.995 0.01 1 967 219 130 GLN HB3 H 2.083 0.002 1 968 219 130 GLN HG2 H 2.441 0.021 1 969 219 130 GLN HG3 H 2.361 0.008 1 970 219 130 GLN CA C 58.87 0.078 1 971 219 130 GLN CB C 28.517 0.053 1 972 219 130 GLN CG C 33.772 0.18 1 973 219 130 GLN N N 118.839 0.054 1 974 220 131 GLU H H 8.489 0.007 1 975 220 131 GLU HA H 4.081 0.009 1 976 220 131 GLU HB2 H 1.727 0.03 1 977 220 131 GLU HB3 H 2.124 0.009 1 978 220 131 GLU HG2 H 2.416 0.005 1 979 220 131 GLU HG3 H 2.194 0.009 1 980 220 131 GLU CA C 58.131 0.104 1 981 220 131 GLU CB C 29.672 0.047 1 982 220 131 GLU CG C 36.766 0.086 1 983 220 131 GLU N N 118.774 0.027 1 984 221 132 SER H H 8.442 0.008 1 985 221 132 SER HA H 3.966 0.019 1 986 221 132 SER HB2 H 3.361 0.012 1 987 221 132 SER HB3 H 3.571 0.011 1 988 221 132 SER CA C 61.629 0.034 1 989 221 132 SER CB C 62.203 0.028 1 990 221 132 SER N N 116.655 0.05 1 991 222 133 GLN H H 7.824 0.005 1 992 222 133 GLN HA H 4.17 0.013 1 993 222 133 GLN HB3 H 2.146 0.014 1 994 222 133 GLN HG2 H 2.432 0 1 995 222 133 GLN HG3 H 2.477 0.017 1 996 222 133 GLN CA C 58.549 0.046 1 997 222 133 GLN CB C 28.148 0.118 1 998 222 133 GLN CG C 33.703 0.07 1 999 222 133 GLN N N 122.226 0.026 1 1000 223 134 ALA H H 7.842 0.012 1 1001 223 134 ALA HA H 4.195 0.008 1 1002 223 134 ALA HB H 1.496 0.01 1 1003 223 134 ALA CA C 54.81 0.047 1 1004 223 134 ALA CB C 18.022 0.079 1 1005 223 134 ALA N N 122.207 0.058 1 1006 224 135 ALA H H 8.004 0.008 1 1007 224 135 ALA HA H 4.059 0.004 1 1008 224 135 ALA HB H 1.454 0.006 1 1009 224 135 ALA CA C 55.472 1.807 1 1010 224 135 ALA CB C 18.096 0.039 1 1011 224 135 ALA N N 120.665 0.05 1 1012 225 136 TYR H H 7.965 0.004 1 1013 225 136 TYR HA H 4.313 0.015 1 1014 225 136 TYR HB2 H 3.163 0.006 1 1015 225 136 TYR HB3 H 3.18 0.007 1 1016 225 136 TYR HD1 H 7.134 0.006 3 1017 225 136 TYR CA C 60.419 0.055 1 1018 225 136 TYR CB C 37.952 0.05 1 1019 225 136 TYR N N 120.588 0.046 1 1020 226 137 GLN H H 8.103 0.003 1 1021 226 137 GLN HA H 3.914 0.013 1 1022 226 137 GLN HB3 H 2.166 0.015 1 1023 226 137 GLN HG2 H 2.453 0.006 1 1024 226 137 GLN HG3 H 2.496 0.005 1 1025 226 137 GLN CA C 58.254 0.065 1 1026 226 137 GLN CB C 28.087 0.021 1 1027 226 137 GLN CG C 33.734 0.039 1 1028 226 137 GLN N N 118.362 0.055 1 1029 227 138 ARG H H 8.068 0.004 1 1030 227 138 ARG HA H 4.102 0.021 1 1031 227 138 ARG HB2 H 1.814 0.023 1 1032 227 138 ARG HB3 H 1.92 0.01 1 1033 227 138 ARG HD2 H 3.185 0.02 1 1034 227 138 ARG HD3 H 3.275 0.021 1 1035 227 138 ARG HG2 H 1.823 0.006 1 1036 227 138 ARG HG3 H 1.616 0.017 1 1037 227 138 ARG CA C 58.877 0.076 1 1038 227 138 ARG CB C 30.354 0.147 1 1039 227 138 ARG CD C 43.378 0.122 1 1040 227 138 ARG CG C 27.966 0.063 1 1041 227 138 ARG N N 118.977 0.032 1 1042 228 139 ALA H H 7.73 0.006 1 1043 228 139 ALA HA H 4.149 0.011 1 1044 228 139 ALA HB H 1.442 0.004 1 1045 228 139 ALA CA C 54.021 0.084 1 1046 228 139 ALA CB C 18.035 0.072 1 1047 228 139 ALA N N 121.966 0.056 1 stop_ save_