data_16616 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; assignment for the I214V variant of rabbit prion protein (91-228) ; _BMRB_accession_number 16616 _BMRB_flat_file_name bmr16616.str _Entry_type original _Submission_date 2009-11-24 _Accession_date 2009-11-24 _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" 752 "13C chemical shifts" 362 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-18 update BMRB 'update entry citation' 2010-10-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure and Dynamics of the I214V Mutant of the Rabbit Prion Protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20949107 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wen Yi . . 2 Li Jun . . 3 Xiong Minqian . . 4 Peng Yu . . 5 Yao Wenming . . 6 Hong Jing . . 7 Lin Donghai . . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 5 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e13273 _Page_last . _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'peptide chain' $prion stop_ _System_molecular_weight 16000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_prion _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common prion _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; MQGGTHNQWGKPSKPKTSMK HVAGAAAAGAVVGGLGGYML GSAMSRPLIHFGNDYEDRYY RENMYRYPNQVYYRPVDQYS NQNSFVHDCVNITVKQHTVT TTTKGENFTETDIKIMERVV EQMCVTQYQQESQAAYQRAH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 MET 2 91 GLN 3 92 GLY 4 93 GLY 5 94 THR 6 95 HIS 7 96 ASN 8 97 GLN 9 98 TRP 10 99 GLY 11 100 LYS 12 101 PRO 13 102 SER 14 103 LYS 15 104 PRO 16 105 LYS 17 106 THR 18 107 SER 19 108 MET 20 109 LYS 21 110 HIS 22 111 VAL 23 112 ALA 24 113 GLY 25 114 ALA 26 115 ALA 27 116 ALA 28 117 ALA 29 118 GLY 30 119 ALA 31 120 VAL 32 121 VAL 33 122 GLY 34 123 GLY 35 124 LEU 36 125 GLY 37 126 GLY 38 127 TYR 39 128 MET 40 129 LEU 41 130 GLY 42 131 SER 43 132 ALA 44 133 MET 45 134 SER 46 135 ARG 47 136 PRO 48 137 LEU 49 138 ILE 50 139 HIS 51 140 PHE 52 141 GLY 53 142 ASN 54 143 ASP 55 144 TYR 56 145 GLU 57 146 ASP 58 147 ARG 59 148 TYR 60 149 TYR 61 150 ARG 62 151 GLU 63 152 ASN 64 153 MET 65 154 TYR 66 155 ARG 67 156 TYR 68 157 PRO 69 158 ASN 70 159 GLN 71 160 VAL 72 161 TYR 73 162 TYR 74 163 ARG 75 164 PRO 76 165 VAL 77 166 ASP 78 167 GLN 79 168 TYR 80 169 SER 81 170 ASN 82 171 GLN 83 172 ASN 84 173 SER 85 174 PHE 86 175 VAL 87 176 HIS 88 177 ASP 89 178 CYS 90 179 VAL 91 180 ASN 92 181 ILE 93 182 THR 94 183 VAL 95 184 LYS 96 185 GLN 97 186 HIS 98 187 THR 99 188 VAL 100 189 THR 101 190 THR 102 191 THR 103 192 THR 104 193 LYS 105 194 GLY 106 195 GLU 107 196 ASN 108 197 PHE 109 198 THR 110 199 GLU 111 200 THR 112 201 ASP 113 202 ILE 114 203 LYS 115 204 ILE 116 205 MET 117 206 GLU 118 207 ARG 119 208 VAL 120 209 VAL 121 210 GLU 122 211 GLN 123 212 MET 124 213 CYS 125 214 VAL 126 215 THR 127 216 GLN 128 217 TYR 129 218 GLN 130 219 GLN 131 220 GLU 132 221 SER 133 222 GLN 134 223 ALA 135 224 ALA 136 225 TYR 137 226 GLN 138 227 ARG 139 228 ALA 140 229 HIS 141 230 HIS 142 231 HIS 143 232 HIS 144 233 HIS 145 234 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 97.83 99.28 2.49e-96 BMRB 15399 "rpp I214V" 95.17 138 100.00 100.00 1.72e-98 BMRB 16328 prion_protein 100.00 145 98.62 100.00 1.92e-103 PDB 2FJ3 "Nmr Solution Of Rabbit Prion Protein (91-228)" 95.17 138 99.28 100.00 2.24e-98 PDB 2JOH "Nmr Structure Of Rabbit Prion Protein Mutation S173n" 100.69 148 97.26 98.63 1.02e-100 PDB 2JOM "Nmr Structure Of Rabbit Prion Protein Mutation I214v" 100.69 148 98.63 98.63 1.82e-101 PDB 3O79 "Crystal Structure Of Wild-Type Rabbit Prp 126-230" 71.72 105 99.04 100.00 6.03e-71 PDB 4HLS "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" 75.86 132 98.18 100.00 2.64e-74 PDB 4HMM "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" 75.86 132 98.18 100.00 2.64e-74 PDB 4HMR "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" 75.86 132 97.27 100.00 1.12e-73 GB AAC48697 "major prion protein [Oryctolagus cuniculus]" 95.17 252 99.28 100.00 3.12e-96 GB AAD01554 "prion protein [Oryctolagus cuniculus]" 94.48 254 99.27 100.00 1.20e-95 GB ABL75505 "prion protein, partial [Oryctolagus cuniculus]" 95.17 244 99.28 100.00 1.80e-96 GB AEM44421 "prion protein [Ovis aries]" 66.90 97 97.94 98.97 1.82e-63 GB AEM44422 "prion protein [Ovis aries]" 66.90 97 97.94 98.97 3.86e-63 REF NP_001075490 "major prion protein precursor [Oryctolagus cuniculus]" 94.48 254 99.27 100.00 1.20e-95 REF XP_008254357 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 95.17 252 99.28 100.00 3.12e-96 REF XP_008254358 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 95.17 252 99.28 100.00 3.12e-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 3.12e-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 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 'recombinant technology' . Escherichia coli BL21 pET30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $prion 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium acetate' 20 mM '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 Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.04 . 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_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 water C 13 protons ppm 0 na indirect . . . 0.251449530 water H 1 protons ppm 4.77 internal direct . . . 1.000000000 water N 15 protons ppm 0 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' 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 'peptide chain' _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 91 2 GLN HB2 H 2.009 0.001 1 2 91 2 GLN HB3 H 2.009 0.001 1 3 91 2 GLN HG2 H 2.339 0.001 1 4 91 2 GLN HG3 H 2.339 0.001 1 5 91 2 GLN CB C 29.935 0.001 1 6 92 3 GLY H H 8.614 0.001 1 7 92 3 GLY HA2 H 3.918 0.001 1 8 92 3 GLY HA3 H 3.918 0.001 1 9 92 3 GLY N N 111.44 0.001 1 10 93 4 GLY H H 8.341 0.029 1 11 93 4 GLY HA2 H 3.971 0.025 1 12 93 4 GLY HA3 H 3.971 0.025 1 13 93 4 GLY CA C 45.177 0.001 1 14 93 4 GLY N N 108.561 0.071 1 15 94 5 THR H H 8.134 0.022 1 16 94 5 THR HA H 4.259 0.058 1 17 94 5 THR HB H 4.166 0.02 1 18 94 5 THR HG2 H 1.166 0.027 1 19 94 5 THR CA C 62.657 0.146 1 20 94 5 THR CB C 70.36 0.002 1 21 94 5 THR CG2 C 22.23 0.399 1 22 94 5 THR N N 113.326 0.096 1 23 95 6 HIS H H 8.573 0.001 1 24 95 6 HIS HA H 4.582 0.028 1 25 95 6 HIS HB2 H 3.062 0.001 1 26 95 6 HIS HB3 H 3.135 0.017 1 27 95 6 HIS HD2 H 7.09 0.001 1 28 95 6 HIS CA C 56.578 0.087 1 29 95 6 HIS CB C 30.082 0.135 1 30 95 6 HIS N N 120.62 0.001 1 31 96 7 ASN H H 8.39 0.009 1 32 96 7 ASN HA H 4.581 0.007 1 33 96 7 ASN HB2 H 2.631 0.016 1 34 96 7 ASN HB3 H 2.631 0.016 1 35 96 7 ASN CB C 38.808 0.14 1 36 96 7 ASN N N 119.924 0.001 1 37 97 8 GLN H H 8.364 0.001 1 38 97 8 GLN HA H 4.206 0.013 1 39 97 8 GLN HB2 H 1.839 0.003 1 40 97 8 GLN HB3 H 1.811 0.006 1 41 97 8 GLN HG2 H 2.179 0.001 1 42 97 8 GLN CA C 57.171 0.206 1 43 97 8 GLN CB C 29.629 0.102 1 44 97 8 GLN N N 120.673 0.066 1 45 98 9 TRP H H 8.126 0.001 1 46 98 9 TRP HA H 4.703 0.044 1 47 98 9 TRP HB2 H 3.205 0.003 1 48 98 9 TRP HB3 H 3.348 0.006 1 49 98 9 TRP HD1 H 7.604 0.001 1 50 98 9 TRP HE3 H 7.213 0.001 1 51 98 9 TRP HZ3 H 6.609 0.023 1 52 98 9 TRP CA C 57.979 0.019 1 53 98 9 TRP CB C 30.068 0.038 1 54 98 9 TRP N N 121.861 0.001 1 55 99 10 GLY H H 8.179 0.008 1 56 99 10 GLY HA2 H 3.816 0.032 1 57 99 10 GLY HA3 H 3.816 0.032 1 58 99 10 GLY N N 110.491 0.363 1 59 100 11 LYS H H 8.049 0.003 1 60 100 11 LYS HA H 4.594 0.003 1 61 100 11 LYS HB2 H 1.766 0.054 1 62 100 11 LYS HB3 H 1.708 0.037 1 63 100 11 LYS HD2 H 1.637 0.001 1 64 100 11 LYS HD3 H 1.637 0.001 1 65 100 11 LYS HE2 H 2.994 0.001 1 66 100 11 LYS HE3 H 2.994 0.001 1 67 100 11 LYS HG2 H 1.452 0.011 1 68 100 11 LYS HG3 H 1.452 0.011 1 69 100 11 LYS CA C 54.885 0.015 1 70 100 11 LYS CB C 33.256 0.103 1 71 100 11 LYS CE C 42.228 0.001 1 72 100 11 LYS CG C 25.26 0.045 1 73 100 11 LYS N N 121.664 0.194 1 74 101 12 PRO HA H 4.433 0.025 1 75 101 12 PRO HB2 H 1.896 0.01 1 76 101 12 PRO HB3 H 2.288 0.012 1 77 101 12 PRO HD2 H 3.817 0.011 1 78 101 12 PRO HD3 H 3.626 0.015 1 79 101 12 PRO HG2 H 1.999 0.013 1 80 101 12 PRO HG3 H 1.999 0.013 1 81 101 12 PRO CA C 63.896 0.001 1 82 101 12 PRO CB C 32.885 0.048 1 83 101 12 PRO CD C 51.409 0.202 1 84 101 12 PRO CG C 28.105 0.036 1 85 102 13 SER HA H 4.42 0.029 1 86 102 13 SER HB2 H 3.829 0.001 1 87 102 13 SER HB3 H 3.829 0.001 1 88 102 13 SER CA C 58.917 0.012 1 89 102 13 SER CB C 64.206 0.001 1 90 102 13 SER N N 117.097 0.001 1 91 103 14 LYS H H 8.332 0.003 1 92 103 14 LYS HA H 4.582 0.047 1 93 103 14 LYS HB2 H 1.756 0.001 1 94 103 14 LYS HB3 H 1.791 0.053 1 95 103 14 LYS HD2 H 1.686 0.029 1 96 103 14 LYS HD3 H 1.686 0.029 1 97 103 14 LYS HE2 H 2.92 0.007 1 98 103 14 LYS HE3 H 2.92 0.007 1 99 103 14 LYS HG2 H 1.459 0.012 1 100 103 14 LYS HG3 H 1.459 0.012 1 101 103 14 LYS CA C 54.885 0.015 1 102 103 14 LYS CB C 33.203 0.118 1 103 103 14 LYS CD C 29.761 0.057 1 104 103 14 LYS CE C 42.699 0.001 1 105 103 14 LYS CG C 24.415 0.001 1 106 103 14 LYS N N 124.341 0.004 1 107 104 15 PRO HA H 4.385 0.01 1 108 104 15 PRO HB2 H 2.287 0.013 1 109 104 15 PRO HB3 H 1.877 0.017 1 110 104 15 PRO HD2 H 3.81 0.017 1 111 104 15 PRO HD3 H 3.622 0.011 1 112 104 15 PRO HG2 H 2.029 0.061 1 113 104 15 PRO HG3 H 2.029 0.061 1 114 104 15 PRO CA C 63.514 0.001 1 115 104 15 PRO CB C 32.91 0.096 1 116 104 15 PRO CD C 51.419 0.175 1 117 104 15 PRO CG C 28.086 0.022 1 118 105 16 LYS H H 8.536 0.002 1 119 105 16 LYS HA H 4.359 0.028 1 120 105 16 LYS HB2 H 1.812 0.001 1 121 105 16 LYS HB3 H 1.85 0.01 1 122 105 16 LYS HD2 H 1.655 0.036 1 123 105 16 LYS HD3 H 1.655 0.036 1 124 105 16 LYS HG2 H 1.326 0.001 1 125 105 16 LYS CB C 33.131 0.035 1 126 105 16 LYS CG C 25.367 0.001 1 127 105 16 LYS N N 122.248 0.012 1 128 106 17 THR H H 8.134 0.001 1 129 106 17 THR HA H 4.358 0.004 1 130 106 17 THR HB H 4.223 0.055 1 131 106 17 THR HG2 H 1.186 0.003 1 132 106 17 THR CA C 62.06 0.289 1 133 106 17 THR CB C 70.592 0.054 1 134 106 17 THR N N 115.669 0.001 1 135 107 18 SER H H 8.393 0.001 1 136 107 18 SER HA H 4.456 0.023 1 137 107 18 SER HB2 H 3.848 0.019 1 138 107 18 SER HB3 H 3.984 0.103 1 139 107 18 SER CA C 58.898 0.001 1 140 107 18 SER CB C 64.206 0.001 1 141 107 18 SER N N 118.219 0.13 1 142 108 19 MET H H 8.416 0.001 1 143 108 19 MET HA H 4.474 0.009 1 144 108 19 MET HB2 H 2.101 0.091 1 145 108 19 MET HB3 H 2.013 0.007 1 146 108 19 MET HG2 H 2.525 0.001 1 147 108 19 MET CA C 55.931 0.362 1 148 108 19 MET CB C 33.482 0.001 1 149 108 19 MET N N 122.95 0.009 1 150 109 20 LYS H H 8.296 0.001 1 151 109 20 LYS HA H 4.263 0.02 1 152 109 20 LYS HB2 H 1.712 0.02 1 153 109 20 LYS HB3 H 1.712 0.02 1 154 109 20 LYS HD2 H 1.648 0.009 1 155 109 20 LYS HD3 H 1.648 0.009 1 156 109 20 LYS HE2 H 2.895 0.001 1 157 109 20 LYS HE3 H 2.895 0.001 1 158 109 20 LYS HG2 H 1.412 0.034 1 159 109 20 LYS CA C 56.485 0.49 1 160 109 20 LYS CB C 33.31 0.001 1 161 109 20 LYS CD C 29.645 0.001 1 162 109 20 LYS CG C 25.451 0.191 1 163 109 20 LYS N N 122.861 0.011 1 164 110 21 HIS H H 8.578 0.01 1 165 110 21 HIS HA H 4.636 0.047 1 166 110 21 HIS HB2 H 3.096 0.026 1 167 110 21 HIS HB3 H 3.148 0.018 1 168 110 21 HIS HD1 H 7.098 0.005 1 169 110 21 HIS CB C 30.145 0.07 1 170 110 21 HIS N N 120.868 0.05 1 171 111 22 VAL H H 8.232 0.001 1 172 111 22 VAL HA H 4.047 0.045 1 173 111 22 VAL HB H 2.01 0.012 1 174 111 22 VAL HG1 H 0.884 0.02 1 175 111 22 VAL HG2 H 1.054 0.001 1 176 111 22 VAL CA C 62.719 0.558 1 177 111 22 VAL CB C 33.38 0.007 1 178 111 22 VAL CG1 C 21.709 0.016 1 179 111 22 VAL CG2 C 21.709 0.016 1 180 111 22 VAL N N 123.017 0.009 1 181 112 23 ALA H H 8.474 0.002 1 182 112 23 ALA HA H 4.323 0.04 1 183 112 23 ALA HB H 1.349 0.031 1 184 112 23 ALA CA C 53.212 0.059 1 185 112 23 ALA CB C 20.093 0.009 1 186 112 23 ALA N N 128.831 0.026 1 187 113 24 GLY H H 8.361 0.003 1 188 113 24 GLY HA2 H 3.93 0.006 1 189 113 24 GLY HA3 H 3.93 0.006 1 190 113 24 GLY CA C 45.849 0.001 1 191 113 24 GLY N N 108.802 0.091 1 192 114 25 ALA H H 8.158 0.001 1 193 114 25 ALA HA H 4.278 0.004 1 194 114 25 ALA HB H 1.379 0.015 1 195 114 25 ALA CA C 53.271 0.001 1 196 114 25 ALA CB C 19.81 0.258 1 197 114 25 ALA N N 123.98 0.018 1 198 115 26 ALA H H 8.296 0.001 1 199 115 26 ALA HA H 4.274 0.001 1 200 115 26 ALA HB H 1.37 0.001 1 201 115 26 ALA CA C 53.271 0.001 1 202 115 26 ALA N N 123.497 0.035 1 203 116 27 ALA HA H 4.279 0.007 1 204 116 27 ALA HB H 1.389 0.018 1 205 116 27 ALA CA C 53.105 0.255 1 206 117 28 ALA H H 8.214 0.001 1 207 117 28 ALA HA H 4.284 0.015 1 208 117 28 ALA HB H 1.37 0.027 1 209 117 28 ALA CA C 53.271 0.001 1 210 117 28 ALA CB C 20.078 0.001 1 211 117 28 ALA N N 123.546 0.003 1 212 118 29 GLY H H 8.281 0.007 1 213 118 29 GLY HA2 H 3.924 0.006 1 214 118 29 GLY HA3 H 3.924 0.006 1 215 118 29 GLY CA C 45.834 0.001 1 216 118 29 GLY N N 107.993 0.539 1 217 119 30 ALA H H 8.055 0.001 1 218 119 30 ALA HA H 4.316 0.031 1 219 119 30 ALA HB H 1.373 0.014 1 220 119 30 ALA CB C 20.085 0.007 1 221 119 30 ALA N N 123.663 0.026 1 222 120 31 VAL H H 8.125 0.001 1 223 120 31 VAL HA H 4.127 0.006 1 224 120 31 VAL HB H 2.025 0.02 1 225 120 31 VAL HG2 H 0.88 0.022 1 226 120 31 VAL CA C 62.298 0.011 1 227 120 31 VAL CB C 33.387 0.001 1 228 120 31 VAL CG1 C 22.003 0.22 1 229 120 31 VAL CG2 C 22.003 0.22 1 230 120 31 VAL N N 119.568 0.073 1 231 121 32 VAL H H 8.266 0.001 1 232 121 32 VAL HA H 4.049 0.04 1 233 121 32 VAL HB H 2.045 0.061 1 234 121 32 VAL HG1 H 0.898 0.025 1 235 121 32 VAL CA C 63.263 0.014 1 236 121 32 VAL CB C 33.373 0.001 1 237 121 32 VAL N N 124.845 0.014 1 238 122 33 GLY H H 8.511 0.015 1 239 122 33 GLY HA2 H 3.935 0.015 1 240 122 33 GLY HA3 H 3.978 0.051 1 241 122 33 GLY CA C 45.945 0.098 1 242 122 33 GLY N N 113.182 0.053 1 243 123 34 GLY H H 8.28 0.061 1 244 123 34 GLY HA2 H 3.944 0.02 1 245 123 34 GLY HA3 H 3.944 0.02 1 246 123 34 GLY N N 108.666 0.264 1 247 124 35 LEU H H 8.219 0.001 1 248 124 35 LEU HA H 4.322 0.036 1 249 124 35 LEU HB2 H 1.57 0.033 1 250 124 35 LEU HB3 H 1.572 0.034 1 251 124 35 LEU HD1 H 0.612 0.038 1 252 124 35 LEU HD2 H 0.512 0.027 1 253 124 35 LEU HG H 1.482 0.028 1 254 124 35 LEU CA C 55.688 0.237 1 255 124 35 LEU CB C 43.051 0.334 1 256 124 35 LEU CD1 C 25.224 0.249 1 257 124 35 LEU CD2 C 24.104 0.001 1 258 124 35 LEU CG C 27.195 0.262 1 259 124 35 LEU N N 121.603 0.022 1 260 125 36 GLY H H 8.52 0.014 1 261 125 36 GLY HA2 H 3.879 0.047 2 262 125 36 GLY CA C 46.396 0.087 1 263 125 36 GLY N N 109.68 0.228 1 264 126 37 GLY H H 8.399 0.044 1 265 126 37 GLY HA2 H 3.812 0.032 1 266 126 37 GLY HA3 H 3.894 0.029 1 267 126 37 GLY CA C 45.673 0.39 1 268 126 37 GLY N N 109.372 0.059 1 269 127 38 TYR H H 7.806 0.024 1 270 127 38 TYR HA H 4.399 0.043 1 271 127 38 TYR HB2 H 2.887 0.033 1 272 127 38 TYR HB3 H 2.927 0.027 1 273 127 38 TYR HD1 H 6.856 0.022 1 274 127 38 TYR HD2 H 6.901 0.008 1 275 127 38 TYR HE2 H 8.314 0.005 3 276 127 38 TYR HH H 8.61 0.001 1 277 127 38 TYR CA C 58.924 0.394 1 278 127 38 TYR CB C 40.641 0.278 1 279 127 38 TYR N N 117.892 0.221 1 280 128 39 MET H H 9.105 0.023 1 281 128 39 MET HA H 4.495 0.044 1 282 128 39 MET HB2 H 1.594 0.018 1 283 128 39 MET HB3 H 1.013 0.042 1 284 128 39 MET HE H 1.961 0.013 1 285 128 39 MET HG2 H 2.199 0.027 1 286 128 39 MET HG3 H 2.017 0.035 1 287 128 39 MET CA C 54.367 0.23 1 288 128 39 MET CB C 35.004 0.275 1 289 128 39 MET CE C 17.917 0.036 1 290 128 39 MET CG C 32.485 0.012 1 291 128 39 MET N N 121.438 0.049 1 292 129 40 LEU H H 8.041 0.011 1 293 129 40 LEU HA H 4.51 0.024 1 294 129 40 LEU HB2 H 1.627 0.036 1 295 129 40 LEU HB3 H 0.986 0.031 1 296 129 40 LEU HD1 H 0.597 0.017 1 297 129 40 LEU HD2 H -0.016 0.025 1 298 129 40 LEU HG H 1.405 0.031 1 299 129 40 LEU CA C 54.192 0.26 1 300 129 40 LEU CB C 44.334 0.273 1 301 129 40 LEU CD1 C 26.448 0.025 1 302 129 40 LEU CD2 C 22.617 0.087 1 303 129 40 LEU CG C 26.076 0.376 1 304 129 40 LEU N N 121.396 0.067 1 305 130 41 GLY H H 9.341 0.015 1 306 130 41 GLY HA2 H 4.43 0.021 1 307 130 41 GLY HA3 H 4.153 0.024 1 308 130 41 GLY CA C 45.467 0.353 1 309 130 41 GLY N N 114.732 0.28 1 310 131 42 SER H H 8.355 0.026 1 311 131 42 SER HA H 4.405 0.008 1 312 131 42 SER HB2 H 3.931 0.028 1 313 131 42 SER HB3 H 3.933 0.014 1 314 131 42 SER CA C 58.973 0.331 1 315 131 42 SER CB C 64.137 0.085 1 316 131 42 SER N N 113.362 0.298 1 317 132 43 ALA H H 8.605 0.018 1 318 132 43 ALA HA H 4.372 0.005 1 319 132 43 ALA HB H 1.257 0.019 1 320 132 43 ALA CA C 53.516 0.317 1 321 132 43 ALA CB C 19.038 0.25 1 322 132 43 ALA N N 124.998 0.092 1 323 133 44 MET H H 8.815 0.021 1 324 133 44 MET HA H 4.722 0.016 1 325 133 44 MET HB2 H 2.081 0.023 1 326 133 44 MET HB3 H 1.971 0.037 1 327 133 44 MET HE H 1.891 0.031 1 328 133 44 MET HG2 H 2.538 0.022 1 329 133 44 MET HG3 H 2.455 0.017 1 330 133 44 MET CA C 54.518 0.374 1 331 133 44 MET CB C 37.002 0.366 1 332 133 44 MET CE C 17.571 0.004 1 333 133 44 MET CG C 32.11 0.186 1 334 133 44 MET N N 121.886 0.169 1 335 134 45 SER H H 8.433 0.006 1 336 134 45 SER HA H 4.35 0.02 1 337 134 45 SER HB2 H 3.703 0.035 1 338 134 45 SER HB3 H 3.806 0.009 1 339 134 45 SER CA C 59.221 0.313 1 340 134 45 SER CB C 63.604 0.257 1 341 134 45 SER N N 116.15 0.171 1 342 135 46 ARG H H 8.597 0.005 1 343 135 46 ARG HA H 4.377 0.013 1 344 135 46 ARG HB2 H 1.861 0.011 1 345 135 46 ARG HB3 H 1.861 0.011 1 346 135 46 ARG HD2 H 3.061 0.043 1 347 135 46 ARG HD3 H 3.138 0.032 1 348 135 46 ARG HG2 H 1.711 0.03 1 349 135 46 ARG HG3 H 1.833 0.026 1 350 135 46 ARG CA C 55.661 0.28 1 351 135 46 ARG CB C 29.971 0.44 1 352 135 46 ARG CD C 44.315 0.406 1 353 135 46 ARG CG C 27.672 0.081 1 354 135 46 ARG N N 126.221 0.181 1 355 136 47 PRO HA H 4.383 0.016 1 356 136 47 PRO HB2 H 2.245 0.027 1 357 136 47 PRO HB3 H 1.857 0.003 1 358 136 47 PRO HD2 H 3.868 0.034 1 359 136 47 PRO HD3 H 3.623 0.011 1 360 136 47 PRO HG2 H 1.717 0.044 1 361 136 47 PRO HG3 H 2.054 0.061 1 362 136 47 PRO CA C 63.119 0.448 1 363 136 47 PRO CB C 32.533 0.336 1 364 136 47 PRO CD C 51.453 0.046 1 365 136 47 PRO CG C 28.147 0.077 1 366 137 48 LEU H H 8.663 0.018 1 367 137 48 LEU HA H 4.551 0.008 1 368 137 48 LEU HB2 H 1.659 0.043 1 369 137 48 LEU HB3 H 1.545 0.046 1 370 137 48 LEU HD1 H 0.912 0.017 1 371 137 48 LEU HD2 H 0.89 0.043 1 372 137 48 LEU HG H 1.613 0.03 1 373 137 48 LEU CA C 54.935 0.322 1 374 137 48 LEU CB C 40.767 0.288 1 375 137 48 LEU CD1 C 25.28 0.031 1 376 137 48 LEU CD2 C 24.104 0.001 1 377 137 48 LEU CG C 27.741 0.049 1 378 137 48 LEU N N 125.122 0.096 1 379 138 49 ILE H H 6.967 0.01 1 380 138 49 ILE HA H 3.917 0.009 1 381 138 49 ILE HB H 1.181 0.112 1 382 138 49 ILE HD1 H 0.392 0.015 1 383 138 49 ILE HG12 H 0.718 0.044 1 384 138 49 ILE HG13 H 0.9 0.051 1 385 138 49 ILE HG2 H 0.005 0.005 1 386 138 49 ILE CA C 59.97 0.409 1 387 138 49 ILE CB C 40.199 0.292 1 388 138 49 ILE CD1 C 13.886 0.165 1 389 138 49 ILE CG1 C 27.347 0.189 1 390 138 49 ILE CG2 C 17.844 0.016 1 391 138 49 ILE N N 122.558 0.03 1 392 139 50 HIS H H 8.301 0.01 1 393 139 50 HIS HA H 4.923 0.006 1 394 139 50 HIS HB2 H 3.297 0.022 1 395 139 50 HIS HB3 H 2.957 0.036 1 396 139 50 HIS HD1 H 12.515 0.004 1 397 139 50 HIS HE1 H 7.212 0.001 1 398 139 50 HIS CA C 54.556 0.402 1 399 139 50 HIS CB C 29.86 0.429 1 400 139 50 HIS N N 122.187 0.058 1 401 140 51 PHE H H 10.361 0.015 1 402 140 51 PHE HA H 4.226 0.029 1 403 140 51 PHE HB2 H 3.325 0.016 1 404 140 51 PHE HB3 H 2.851 0.019 1 405 140 51 PHE HD1 H 7.35 0.021 1 406 140 51 PHE HD2 H 7.35 0.021 1 407 140 51 PHE HZ H 7.248 0.001 1 408 140 51 PHE CA C 60.223 0.267 1 409 140 51 PHE CB C 41.064 0.011 1 410 140 51 PHE N N 125.358 0.138 1 411 141 52 GLY H H 9.02 0.015 1 412 141 52 GLY HA2 H 4.136 0.022 1 413 141 52 GLY HA3 H 3.741 0.023 1 414 141 52 GLY CA C 45.95 0.292 1 415 141 52 GLY N N 108.457 0.506 1 416 142 53 ASN H H 7.243 0.024 1 417 142 53 ASN HA H 4.853 0.006 1 418 142 53 ASN HB2 H 2.805 0.027 1 419 142 53 ASN HB3 H 2.813 0.034 1 420 142 53 ASN HD21 H 7.521 0.004 1 421 142 53 ASN CA C 53.069 0.308 1 422 142 53 ASN CB C 41.918 0.324 1 423 142 53 ASN N N 114.383 0.254 1 424 143 54 ASP H H 8.971 0.014 1 425 143 54 ASP HA H 4.432 0.042 1 426 143 54 ASP HB2 H 2.968 0.007 1 427 143 54 ASP HB3 H 2.74 0.032 1 428 143 54 ASP CA C 58.279 0.355 1 429 143 54 ASP CB C 42.247 0.301 1 430 143 54 ASP N N 123.818 0.045 1 431 144 55 TYR H H 8.363 0.017 1 432 144 55 TYR HA H 4.208 0.026 1 433 144 55 TYR HB2 H 3.226 0.016 1 434 144 55 TYR HB3 H 3.049 0.01 1 435 144 55 TYR HD1 H 7.047 0.02 1 436 144 55 TYR HD2 H 7.047 0.02 1 437 144 55 TYR HE1 H 6.663 0.038 1 438 144 55 TYR CA C 62.154 0.389 1 439 144 55 TYR CB C 38.289 0.311 1 440 144 55 TYR N N 120.106 0.078 1 441 145 56 GLU H H 8.321 0.016 1 442 145 56 GLU HA H 3.527 0.016 1 443 145 56 GLU HB2 H 1.911 0.046 1 444 145 56 GLU HB3 H 1.381 0.018 1 445 145 56 GLU HG2 H 2.474 0.016 1 446 145 56 GLU HG3 H 1.853 0.023 1 447 145 56 GLU CA C 60.539 0.376 1 448 145 56 GLU CB C 29.953 0.417 1 449 145 56 GLU CG C 38.695 0.233 1 450 145 56 GLU N N 119.57 0.179 1 451 146 57 ASP H H 8.046 0.027 1 452 146 57 ASP HA H 4.671 0.016 1 453 146 57 ASP HB2 H 2.911 0.047 1 454 146 57 ASP HB3 H 2.75 0.049 1 455 146 57 ASP CA C 55.656 7.366 1 456 146 57 ASP CB C 41.707 0.458 1 457 146 57 ASP N N 118.199 0.097 1 458 147 58 ARG H H 8.067 0.031 1 459 147 58 ARG HA H 3.998 0.021 1 460 147 58 ARG HB2 H 1.919 0.016 1 461 147 58 ARG HD2 H 3.197 0.028 1 462 147 58 ARG HD3 H 3.211 0.044 1 463 147 58 ARG HE H 7.205 0.016 1 464 147 58 ARG HG2 H 1.783 0.075 1 465 147 58 ARG HG3 H 1.548 0.055 1 466 147 58 ARG CA C 60.201 0.357 1 467 147 58 ARG CB C 30.201 0.208 1 468 147 58 ARG CD C 44.066 0.271 1 469 147 58 ARG CG C 28.212 0.29 1 470 147 58 ARG N N 120.11 0.194 1 471 147 58 ARG NE N 83.88 0.337 1 472 148 59 TYR H H 8.442 0.012 1 473 148 59 TYR HA H 3.848 0.048 1 474 148 59 TYR HB2 H 2.747 0.043 1 475 148 59 TYR HB3 H 2.566 0.039 1 476 148 59 TYR HD1 H 6.832 0.015 1 477 148 59 TYR HD2 H 7.314 0.001 1 478 148 59 TYR HE1 H 6.879 0.043 3 479 148 59 TYR CA C 62.682 0.333 1 480 148 59 TYR CB C 39.297 0.004 1 481 148 59 TYR N N 121.168 0.066 1 482 149 60 TYR H H 8.837 0.044 1 483 149 60 TYR HA H 4.247 0.03 1 484 149 60 TYR HB2 H 3.218 0.015 1 485 149 60 TYR HB3 H 3.048 0.009 1 486 149 60 TYR HD1 H 6.932 0.001 1 487 149 60 TYR HD2 H 6.685 0.017 1 488 149 60 TYR HE1 H 7.006 0.006 1 489 149 60 TYR HE2 H 7.321 0.004 1 490 149 60 TYR HH H 6.933 0.021 1 491 149 60 TYR CA C 62.112 0.441 1 492 149 60 TYR CB C 38.469 0.122 1 493 149 60 TYR N N 119.158 0.104 1 494 150 61 ARG H H 7.651 0.013 1 495 150 61 ARG HA H 3.67 0.012 1 496 150 61 ARG HB2 H 1.923 0.032 1 497 150 61 ARG HB3 H 2.286 0.001 1 498 150 61 ARG HD2 H 3.246 0.024 1 499 150 61 ARG HD3 H 3.227 0.025 1 500 150 61 ARG HE H 7.442 0.012 1 501 150 61 ARG HG2 H 1.89 0.053 1 502 150 61 ARG HG3 H 1.69 0.022 1 503 150 61 ARG CA C 60.573 0.289 1 504 150 61 ARG CB C 29.692 0.252 1 505 150 61 ARG CD C 44.067 0.054 1 506 150 61 ARG CG C 27.981 1.785 1 507 150 61 ARG N N 116.515 0.17 1 508 150 61 ARG NE N 85.311 0.387 1 509 151 62 GLU H H 7.949 0.023 1 510 151 62 GLU HA H 4.054 0.032 1 511 151 62 GLU HB2 H 1.961 0.026 1 512 151 62 GLU HB3 H 2.179 0.037 1 513 151 62 GLU HG2 H 2.195 0.044 1 514 151 62 GLU HG3 H 2.364 0.045 1 515 151 62 GLU CA C 58.389 0.443 1 516 151 62 GLU CB C 30.067 0.23 1 517 151 62 GLU CG C 37.184 0.248 1 518 151 62 GLU N N 115.554 0.324 1 519 152 63 ASN H H 7.557 0.008 1 520 152 63 ASN HA H 4.588 0.022 1 521 152 63 ASN HB2 H 2.3 0.033 1 522 152 63 ASN HB3 H 2.271 0.026 1 523 152 63 ASN HD21 H 6.746 0.039 1 524 152 63 ASN HD22 H 6.537 0.018 1 525 152 63 ASN CA C 54.932 0.343 1 526 152 63 ASN CB C 41.338 0.437 1 527 152 63 ASN N N 115.136 0.261 1 528 152 63 ASN ND2 N 116.606 0.197 1 529 153 64 MET H H 7.505 0.011 1 530 153 64 MET HA H 3.681 0.026 1 531 153 64 MET HB2 H 1.725 0.024 1 532 153 64 MET HB3 H 1.907 0.022 1 533 153 64 MET HE H 1.819 0.027 1 534 153 64 MET HG2 H 2.577 0.019 1 535 153 64 MET HG3 H 2.12 0.03 1 536 153 64 MET CA C 60.396 0.354 1 537 153 64 MET CB C 32.901 0.262 1 538 153 64 MET CE C 17.587 0.018 1 539 153 64 MET CG C 32.008 0.184 1 540 153 64 MET N N 118.782 0.184 1 541 154 65 TYR H H 7.631 0.017 1 542 154 65 TYR HA H 4.218 0.014 1 543 154 65 TYR HB2 H 3.038 0.019 1 544 154 65 TYR HB3 H 2.986 0.031 1 545 154 65 TYR HD1 H 7.06 0.018 1 546 154 65 TYR HD2 H 7.06 0.018 1 547 154 65 TYR HE1 H 6.929 0.001 3 548 154 65 TYR CA C 59.874 0.412 1 549 154 65 TYR CB C 36.886 0.276 1 550 154 65 TYR N N 114.485 0.43 1 551 155 66 ARG H H 7.608 0.011 1 552 155 66 ARG HA H 4.015 0.027 1 553 155 66 ARG HB2 H 1.843 0.033 1 554 155 66 ARG HB3 H 1.943 0.019 1 555 155 66 ARG HD2 H 3.086 0.031 1 556 155 66 ARG HD3 H 3.276 0.059 1 557 155 66 ARG HE H 6.892 0.053 1 558 155 66 ARG HG2 H 1.301 0.055 1 559 155 66 ARG HG3 H 1.593 0.041 1 560 155 66 ARG CA C 57.238 0.295 1 561 155 66 ARG CB C 30.587 0.505 1 562 155 66 ARG CG C 27.778 0.047 1 563 155 66 ARG N N 118.611 0.095 1 564 155 66 ARG NE N 85.877 0.227 1 565 156 67 TYR H H 7.319 0.013 1 566 156 67 TYR HA H 4.976 0.02 1 567 156 67 TYR HB2 H 3.18 0.04 1 568 156 67 TYR HB3 H 3.071 0.001 1 569 156 67 TYR HD1 H 7.014 0.008 1 570 156 67 TYR HD2 H 7.324 0.001 1 571 156 67 TYR HE1 H 7.785 0.01 3 572 156 67 TYR CA C 54.427 0.08 1 573 156 67 TYR CB C 36.089 0.001 1 574 156 67 TYR N N 119.597 0.151 1 575 157 68 PRO HA H 4.403 0.022 1 576 157 68 PRO HB2 H 2.289 0.022 1 577 157 68 PRO HB3 H 1.889 0.032 1 578 157 68 PRO HD2 H 3.619 0.009 1 579 157 68 PRO HD3 H 3.814 0.019 1 580 157 68 PRO HG2 H 1.675 0.014 1 581 157 68 PRO HG3 H 2.06 0.008 1 582 157 68 PRO CA C 63.648 0.248 1 583 157 68 PRO CB C 32.725 0.27 1 584 157 68 PRO CD C 51.465 0.032 1 585 157 68 PRO CG C 28.417 0.094 1 586 158 69 ASN H H 8.487 0.018 1 587 158 69 ASN HA H 4.711 0.021 1 588 158 69 ASN HB2 H 2.409 0.039 1 589 158 69 ASN HB3 H 3.633 0.019 1 590 158 69 ASN HD21 H 6.853 0.001 1 591 158 69 ASN CA C 52.503 0.356 1 592 158 69 ASN CB C 38.807 0.345 1 593 158 69 ASN N N 115.761 0.25 1 594 159 70 GLN H H 7.201 0.009 1 595 159 70 GLN HA H 4.561 0.056 1 596 159 70 GLN HB2 H 1.992 0.029 1 597 159 70 GLN HB3 H 2.139 0.016 1 598 159 70 GLN HE21 H 6.755 0.001 2 599 159 70 GLN HG2 H 2.326 0.031 1 600 159 70 GLN HG3 H 2.326 0.031 1 601 159 70 GLN CA C 54.809 0.254 1 602 159 70 GLN CB C 34.532 0.31 1 603 159 70 GLN N N 114.045 0.461 1 604 160 71 VAL H H 8.507 0.023 1 605 160 71 VAL HA H 4.917 0.013 1 606 160 71 VAL HB H 2.596 0.009 1 607 160 71 VAL HG1 H 0.939 0.022 1 608 160 71 VAL HG2 H 0.749 0.025 1 609 160 71 VAL CA C 59.431 0.245 1 610 160 71 VAL CB C 34.404 0.202 1 611 160 71 VAL CG1 C 24.104 0.001 1 612 160 71 VAL CG2 C 19.198 0.108 1 613 160 71 VAL N N 112.494 0.313 1 614 161 72 TYR H H 8.426 0.007 1 615 161 72 TYR HA H 5.571 0.016 1 616 161 72 TYR HB2 H 2.624 0.023 1 617 161 72 TYR HB3 H 2.602 0.043 1 618 161 72 TYR HD1 H 6.901 0.019 1 619 161 72 TYR HD2 H 6.659 0.012 1 620 161 72 TYR HE1 H 6.321 0.006 1 621 161 72 TYR HE2 H 6.858 0.025 1 622 161 72 TYR HH H 8.652 0.001 1 623 161 72 TYR CA C 57.602 0.53 1 624 161 72 TYR CB C 42.513 0.341 1 625 161 72 TYR N N 121.038 0.098 1 626 162 73 TYR H H 8.581 0.008 1 627 162 73 TYR HA H 4.86 0.014 1 628 162 73 TYR HB2 H 2.883 0.045 1 629 162 73 TYR HB3 H 2.696 0.037 1 630 162 73 TYR HD1 H 7.155 0.016 1 631 162 73 TYR HE1 H 6.487 0.014 1 632 162 73 TYR HE2 H 6.636 0.021 3 633 162 73 TYR CA C 56.629 0.311 1 634 162 73 TYR CB C 40.624 0.281 1 635 162 73 TYR N N 110.931 0.392 1 636 163 74 ARG H H 7.933 0.022 1 637 163 74 ARG HA H 4.616 0.012 1 638 163 74 ARG HB2 H 2.01 0.001 1 639 163 74 ARG HB3 H 2 0.001 1 640 163 74 ARG HD2 H 3.397 0.023 1 641 163 74 ARG HD3 H 2.919 0.017 1 642 163 74 ARG HG2 H 1.636 0.031 1 643 163 74 ARG CA C 54.413 0.327 1 644 163 74 ARG CB C 33.37 0.001 1 645 163 74 ARG CD C 42.714 0.018 1 646 163 74 ARG N N 120.465 0.138 1 647 164 75 PRO HA H 4.587 0.017 1 648 164 75 PRO HB2 H 2.011 0.038 1 649 164 75 PRO HB3 H 2.472 0.04 1 650 164 75 PRO HD2 H 3.428 0.017 1 651 164 75 PRO HD3 H 3.65 0.021 1 652 164 75 PRO HG2 H 2.1 0.037 1 653 164 75 PRO HG3 H 2.1 0.037 1 654 164 75 PRO CA C 63.907 0.134 1 655 164 75 PRO CB C 33.094 0.356 1 656 164 75 PRO CD C 51.04 0.216 1 657 165 76 VAL H H 8.588 0.014 1 658 165 76 VAL HA H 4.302 0.007 1 659 165 76 VAL HB H 2.125 0.056 1 660 165 76 VAL HG1 H 0.846 0.018 1 661 165 76 VAL HG2 H 1.027 0.078 1 662 165 76 VAL CA C 66.226 0.222 1 663 165 76 VAL CB C 32.912 0.393 1 664 165 76 VAL CG1 C 22.183 0.05 1 665 165 76 VAL CG2 C 22.174 0.123 1 666 165 76 VAL N N 118.467 0.083 1 667 166 77 ASP H H 8.277 0.015 1 668 166 77 ASP HA H 4.588 0.039 1 669 166 77 ASP HB2 H 2.906 0.015 1 670 166 77 ASP HB3 H 2.694 0.021 1 671 166 77 ASP CA C 55.152 0.464 1 672 166 77 ASP CB C 40.204 0.457 1 673 166 77 ASP N N 117.188 0.141 1 674 167 78 GLN H H 8.241 0.024 1 675 167 78 GLN HA H 4.103 0.01 1 676 167 78 GLN HB2 H 1.912 0.024 1 677 167 78 GLN HB3 H 1.741 0.024 1 678 167 78 GLN HG2 H 2.23 0.011 1 679 167 78 GLN HG3 H 2.224 0.012 1 680 167 78 GLN CA C 56.266 0.434 1 681 167 78 GLN CB C 27.45 0.105 1 682 167 78 GLN CG C 34.852 0.199 1 683 167 78 GLN N N 117.295 0.164 1 684 168 79 TYR H H 7.866 0.012 1 685 168 79 TYR HA H 4.974 0.212 1 686 168 79 TYR HB2 H 3.397 0.036 1 687 168 79 TYR HB3 H 3.012 0.029 1 688 168 79 TYR HD1 H 7.37 0.056 1 689 168 79 TYR HD2 H 7.35 0.014 1 690 168 79 TYR HE2 H 6.949 0.001 1 691 168 79 TYR CA C 57.657 0.346 1 692 168 79 TYR CB C 42.588 0.283 1 693 168 79 TYR N N 117.017 0.168 1 694 169 80 SER H H 9.231 0.057 1 695 169 80 SER HA H 4.524 0.014 1 696 169 80 SER HB2 H 3.999 0.011 1 697 169 80 SER HB3 H 3.999 0.011 1 698 169 80 SER CA C 59.276 0.36 1 699 169 80 SER CB C 64.457 0.32 1 700 169 80 SER N N 114.994 0.209 1 701 170 81 ASN H H 7.544 0.041 1 702 170 81 ASN HA H 4.77 0.014 1 703 170 81 ASN HB2 H 3.215 0.031 1 704 170 81 ASN HB3 H 3.024 0.037 1 705 170 81 ASN HD21 H 6.753 0.001 1 706 170 81 ASN CA C 52.661 0.295 1 707 170 81 ASN CB C 40.702 0.34 1 708 170 81 ASN N N 113.315 0.266 1 709 171 82 GLN H H 8.634 0.012 1 710 171 82 GLN HA H 3.753 0.05 1 711 171 82 GLN HE21 H 6.772 0.001 1 712 171 82 GLN HE22 H 7.381 0.044 1 713 171 82 GLN HG2 H 2.474 0.022 1 714 171 82 GLN HG3 H 2.709 0.017 1 715 171 82 GLN CA C 59.768 0.287 1 716 171 82 GLN CB C 29.563 0.001 1 717 171 82 GLN CG C 34.463 0.078 1 718 171 82 GLN N N 119.573 0.112 1 719 171 82 GLN NE2 N 110.977 0.26 1 720 172 83 ASN H H 8.514 0.021 1 721 172 83 ASN HA H 4.243 0.025 1 722 172 83 ASN HB2 H 2.738 0.037 1 723 172 83 ASN HB3 H 2.711 0.064 1 724 172 83 ASN HD21 H 7.564 0.006 1 725 172 83 ASN HD22 H 6.896 0.004 1 726 172 83 ASN CA C 57.179 0.324 1 727 172 83 ASN CB C 38.201 0.304 1 728 172 83 ASN N N 117.009 0.137 1 729 173 84 SER H H 8.408 0.024 1 730 173 84 SER HA H 4.27 0.024 1 731 173 84 SER HB2 H 4.202 0.001 1 732 173 84 SER HB3 H 4.202 0.001 1 733 173 84 SER CA C 62.202 0.298 1 734 173 84 SER CB C 63.065 0.084 1 735 173 84 SER N N 115.374 0.273 1 736 174 85 PHE H H 7.104 0.009 1 737 174 85 PHE HA H 4.186 0.103 1 738 174 85 PHE HB2 H 2.752 0.037 1 739 174 85 PHE HB3 H 2.903 0.012 1 740 174 85 PHE HE1 H 7.187 0.031 3 741 174 85 PHE HZ H 6.702 0.001 1 742 174 85 PHE CA C 60.962 0.039 1 743 174 85 PHE CB C 40.603 0.001 1 744 174 85 PHE N N 123.404 0.048 1 745 175 86 VAL H H 8.89 0.023 1 746 175 86 VAL HA H 3.394 0.022 1 747 175 86 VAL HB H 2.217 0.049 1 748 175 86 VAL HG1 H 1.046 0.045 1 749 175 86 VAL HG2 H 1.048 0.046 1 750 175 86 VAL CA C 67.94 0.705 1 751 175 86 VAL CB C 32.591 0.081 1 752 175 86 VAL CG1 C 22.819 0.195 1 753 175 86 VAL CG2 C 25.33 0.139 1 754 175 86 VAL N N 120.119 0.087 1 755 176 87 HIS H H 8.375 0.022 1 756 176 87 HIS HA H 4.283 0.021 1 757 176 87 HIS HB2 H 3.326 0.027 1 758 176 87 HIS HB3 H 3.326 0.027 1 759 176 87 HIS HD1 H 7.349 0.001 1 760 176 87 HIS HD2 H 8.165 0.064 1 761 176 87 HIS CA C 59.952 0.401 1 762 176 87 HIS CB C 28.787 0.469 1 763 176 87 HIS N N 116.273 0.287 1 764 177 88 ASP H H 7.38 0.015 1 765 177 88 ASP HA H 4.566 0.031 1 766 177 88 ASP HB2 H 3.004 0.04 1 767 177 88 ASP HB3 H 2.989 0.016 1 768 177 88 ASP CA C 57.756 0.363 1 769 177 88 ASP CB C 41.811 0.533 1 770 177 88 ASP N N 118.458 0.115 1 771 178 89 CYS H H 8.137 0.02 1 772 178 89 CYS HA H 4.67 0.036 1 773 178 89 CYS HB2 H 2.848 0.023 1 774 178 89 CYS HB3 H 3.201 0.035 1 775 178 89 CYS CA C 59.424 0.306 1 776 178 89 CYS CB C 39.612 3.743 1 777 178 89 CYS N N 119.236 0.122 1 778 179 90 VAL H H 9.209 0.05 1 779 179 90 VAL HA H 3.675 0.026 1 780 179 90 VAL HB H 2.141 0.047 1 781 179 90 VAL HG1 H 1.035 0.028 1 782 179 90 VAL HG2 H 0.963 0.03 1 783 179 90 VAL CA C 66.761 0.249 1 784 179 90 VAL CB C 32.623 0.713 1 785 179 90 VAL CG1 C 22.808 0.16 1 786 179 90 VAL CG2 C 22.067 0.1 1 787 179 90 VAL N N 124.198 0.157 1 788 180 91 ASN H H 7.646 0.015 1 789 180 91 ASN HA H 4.321 0.035 1 790 180 91 ASN HB2 H 2.859 0.026 1 791 180 91 ASN HB3 H 2.81 0.03 1 792 180 91 ASN HD21 H 6.789 0.019 1 793 180 91 ASN HD22 H 7.614 0.04 1 794 180 91 ASN CA C 57.208 0.35 1 795 180 91 ASN CB C 39.419 0.375 1 796 180 91 ASN N N 116.526 0.238 1 797 180 91 ASN ND2 N 112.002 0.302 1 798 181 92 ILE H H 8.675 0.016 1 799 181 92 ILE HA H 3.757 0.027 1 800 181 92 ILE HB H 1.61 0.02 1 801 181 92 ILE HD1 H 0.406 0.027 1 802 181 92 ILE HG12 H 0.861 0.044 1 803 181 92 ILE HG13 H 0.983 0.025 1 804 181 92 ILE HG2 H 0.227 0.018 1 805 181 92 ILE CA C 62.772 0.306 1 806 181 92 ILE CB C 37.063 0.235 1 807 181 92 ILE CD1 C 11.844 0.193 1 808 181 92 ILE CG1 C 28.153 0.072 1 809 181 92 ILE CG2 C 19.176 0.039 1 810 181 92 ILE N N 117.951 0.131 1 811 182 93 THR H H 8.091 0.021 1 812 182 93 THR HA H 4.059 0.074 1 813 182 93 THR HB H 4.505 0.017 1 814 182 93 THR HG2 H 1.474 0.025 1 815 182 93 THR CA C 69.187 0.268 1 816 182 93 THR CB C 69.109 0.055 1 817 182 93 THR CG2 C 23.18 0.038 1 818 182 93 THR N N 117.951 0.136 1 819 183 94 VAL H H 8.808 0.014 1 820 183 94 VAL HA H 3.601 0.022 1 821 183 94 VAL HB H 2.285 0.024 1 822 183 94 VAL HG1 H 1.023 0.039 1 823 183 94 VAL HG2 H 1.003 0.031 1 824 183 94 VAL CA C 68.248 0.338 1 825 183 94 VAL CB C 32.006 0.504 1 826 183 94 VAL CG1 C 24.208 0.147 1 827 183 94 VAL CG2 C 24.104 0.001 1 828 183 94 VAL N N 120.81 0.057 1 829 184 95 LYS H H 7.893 0.017 1 830 184 95 LYS HA H 4.062 0.019 1 831 184 95 LYS HB2 H 1.945 0.041 1 832 184 95 LYS HB3 H 1.965 0.032 1 833 184 95 LYS HD2 H 1.624 0.039 1 834 184 95 LYS HD3 H 1.651 0.001 1 835 184 95 LYS HE2 H 2.913 0.013 1 836 184 95 LYS HE3 H 2.913 0.013 1 837 184 95 LYS HG2 H 1.516 0.04 1 838 184 95 LYS HG3 H 1.417 0.037 1 839 184 95 LYS CA C 60.25 0.459 1 840 184 95 LYS CB C 32.771 0.436 1 841 184 95 LYS CD C 29.597 0.332 1 842 184 95 LYS CE C 42.656 0.035 1 843 184 95 LYS CG C 25.499 0.362 1 844 184 95 LYS N N 121.502 0.076 1 845 185 96 GLN H H 8.372 0.015 1 846 185 96 GLN HA H 3.95 0.038 1 847 185 96 GLN HB2 H 2.149 0.02 1 848 185 96 GLN HB3 H 2.149 0.02 1 849 185 96 GLN HG2 H 2.346 0.02 1 850 185 96 GLN HG3 H 2.425 0.001 1 851 185 96 GLN CA C 57.857 0.001 1 852 185 96 GLN CB C 28.615 0.271 1 853 185 96 GLN N N 116.551 0.229 1 854 186 97 HIS H H 8.13 0.01 1 855 186 97 HIS HA H 4.593 0.035 1 856 186 97 HIS HB2 H 3.139 0.015 1 857 186 97 HIS HB3 H 3.412 0.041 1 858 186 97 HIS HD2 H 6.905 0.01 1 859 186 97 HIS CA C 60.731 0.009 1 860 186 97 HIS CB C 31.85 0.692 1 861 186 97 HIS N N 117.587 0.028 1 862 187 98 THR H H 8.163 0.019 1 863 187 98 THR HA H 4.187 0.02 1 864 187 98 THR HB H 4.255 0.015 1 865 187 98 THR HG2 H 1.293 0.007 1 866 187 98 THR CA C 65.234 0.194 1 867 187 98 THR CB C 69.617 0.203 1 868 187 98 THR CG2 C 22.549 0.036 1 869 187 98 THR N N 112.974 0.336 1 870 188 99 VAL H H 8.014 0.018 1 871 188 99 VAL HA H 4.037 0.018 1 872 188 99 VAL HB H 2.226 0.007 1 873 188 99 VAL HG1 H 1.213 0.023 1 874 188 99 VAL HG2 H 0.746 0.001 1 875 188 99 VAL CA C 65.754 0.042 1 876 188 99 VAL CB C 32.253 0.26 1 877 188 99 VAL CG1 C 22.258 0.094 1 878 188 99 VAL CG2 C 22.952 0.001 1 879 188 99 VAL N N 122.228 0.015 1 880 189 100 THR H H 8.116 0.009 1 881 189 100 THR HA H 4.203 0.031 1 882 189 100 THR HB H 4.175 0.072 1 883 189 100 THR HG2 H 1.314 0.024 1 884 189 100 THR CA C 64.28 0.001 1 885 189 100 THR CB C 69.368 0.007 1 886 189 100 THR N N 115.376 0.203 1 887 190 101 THR H H 7.977 0.023 1 888 190 101 THR HA H 4.145 0.051 1 889 190 101 THR HB H 4.436 0.005 1 890 190 101 THR HG2 H 0.881 0.017 1 891 190 101 THR CB C 69.341 0.022 1 892 190 101 THR N N 115.122 0.228 1 893 191 102 THR H H 8.16 0.016 1 894 191 102 THR HA H 4.381 0.014 1 895 191 102 THR HB H 4.339 0.016 1 896 191 102 THR HG2 H 1.343 0.102 1 897 191 102 THR CA C 65.717 0.007 1 898 191 102 THR CB C 69.505 0.168 1 899 191 102 THR CG2 C 22.566 0.007 1 900 191 102 THR N N 116.154 0.125 1 901 192 103 THR H H 7.996 0.034 1 902 192 103 THR HA H 4.246 0.001 1 903 192 103 THR HB H 4.284 0.019 1 904 192 103 THR HG2 H 1.288 0.018 1 905 192 103 THR CA C 64.068 0.001 1 906 192 103 THR CB C 69.434 0.206 1 907 192 103 THR CG2 C 22.553 0.006 1 908 192 103 THR N N 116.281 0.289 1 909 193 104 LYS H H 7.802 0.02 1 910 193 104 LYS HA H 4.378 0.003 1 911 193 104 LYS HB2 H 1.981 0.021 1 912 193 104 LYS HB3 H 1.862 0.011 1 913 193 104 LYS HD2 H 1.731 0.016 1 914 193 104 LYS HD3 H 1.731 0.016 1 915 193 104 LYS HE2 H 2.939 0.031 1 916 193 104 LYS HE3 H 2.939 0.031 1 917 193 104 LYS HG2 H 1.509 0.037 1 918 193 104 LYS HG3 H 1.649 0.002 1 919 193 104 LYS CA C 56.934 0.278 1 920 193 104 LYS CB C 32.853 0.222 1 921 193 104 LYS CE C 42.668 0.02 1 922 193 104 LYS CG C 25.648 0.189 1 923 193 104 LYS N N 120.841 0.049 1 924 194 105 GLY H H 8.066 0.015 1 925 194 105 GLY HA2 H 4.099 0.007 1 926 194 105 GLY HA3 H 3.842 0.003 1 927 194 105 GLY CA C 45.503 0.03 1 928 194 105 GLY N N 108.429 0.447 1 929 195 106 GLU H H 7.718 0.007 1 930 195 106 GLU HA H 4.271 0.016 1 931 195 106 GLU HB2 H 1.617 0.007 1 932 195 106 GLU HB3 H 1.606 0.014 1 933 195 106 GLU HG2 H 2.035 0.036 1 934 195 106 GLU HG3 H 1.921 0.062 1 935 195 106 GLU CA C 56.213 0.286 1 936 195 106 GLU CB C 31.568 0.409 1 937 195 106 GLU CG C 36.783 0.01 1 938 195 106 GLU N N 119.915 0.121 1 939 196 107 ASN H H 8.448 0.008 1 940 196 107 ASN HA H 4.697 0.008 1 941 196 107 ASN HB2 H 2.658 0.025 1 942 196 107 ASN HB3 H 2.616 0.027 1 943 196 107 ASN CA C 53.294 0.416 1 944 196 107 ASN CB C 41.122 0.765 1 945 196 107 ASN N N 119.5 0.09 1 946 197 108 PHE H H 8.573 0.01 1 947 197 108 PHE HA H 5.267 0.031 1 948 197 108 PHE HB2 H 3.191 0.018 1 949 197 108 PHE HB3 H 2.965 0.026 1 950 197 108 PHE HD1 H 7.334 0.023 1 951 197 108 PHE HD2 H 7.599 0.001 1 952 197 108 PHE HE1 H 6.935 0.001 1 953 197 108 PHE HE2 H 6.643 0.018 1 954 197 108 PHE CA C 57.243 0.242 1 955 197 108 PHE CB C 40.513 2.557 1 956 197 108 PHE N N 121.885 0.036 1 957 198 109 THR H H 9.556 0.013 1 958 198 109 THR HA H 4.621 0.007 1 959 198 109 THR HB H 4.812 0.023 1 960 198 109 THR HG2 H 1.421 0.022 1 961 198 109 THR CA C 60.895 0.303 1 962 198 109 THR CB C 72.533 0.278 1 963 198 109 THR CG2 C 22.581 0.058 1 964 198 109 THR N N 115.686 0.228 1 965 199 110 GLU H H 9.068 0.025 1 966 199 110 GLU HA H 4.04 0.02 1 967 199 110 GLU HB2 H 2.092 0.037 1 968 199 110 GLU HB3 H 2.092 0.037 1 969 199 110 GLU HG2 H 2.381 0.02 1 970 199 110 GLU HG3 H 2.325 0.034 1 971 199 110 GLU CA C 60.484 0.474 1 972 199 110 GLU CB C 29.111 0.144 1 973 199 110 GLU CG C 37.075 0.19 1 974 199 110 GLU N N 119.593 0.074 1 975 200 111 THR H H 7.916 0.022 1 976 200 111 THR HA H 3.786 0.036 1 977 200 111 THR HB H 3.779 0.119 1 978 200 111 THR HG2 H 0.624 0.019 1 979 200 111 THR CA C 67.104 0.227 1 980 200 111 THR CB C 69.052 0.245 1 981 200 111 THR CG2 C 21.866 0.161 1 982 200 111 THR N N 116.086 0.239 1 983 201 112 ASP H H 7.48 0.012 1 984 201 112 ASP HA H 4.521 0.019 1 985 201 112 ASP HB2 H 3.383 0.015 1 986 201 112 ASP HB3 H 2.562 0.033 1 987 201 112 ASP CA C 58.991 0.322 1 988 201 112 ASP CB C 42.535 0.378 1 989 201 112 ASP N N 119.417 0.101 1 990 202 113 ILE H H 8.071 0.031 1 991 202 113 ILE HA H 3.426 0.021 1 992 202 113 ILE HB H 1.959 0.045 1 993 202 113 ILE HD1 H 0.716 0.018 1 994 202 113 ILE HG12 H 1.541 0.022 1 995 202 113 ILE HG13 H 1.3 0.044 1 996 202 113 ILE HG2 H 0.828 0.02 1 997 202 113 ILE CA C 65.089 0.133 1 998 202 113 ILE CB C 37.305 0.361 1 999 202 113 ILE CD1 C 12.25 0.025 1 1000 202 113 ILE CG1 C 29.221 0.049 1 1001 202 113 ILE CG2 C 18.165 0.015 1 1002 202 113 ILE N N 118.859 0.118 1 1003 203 114 LYS H H 7.732 0.017 1 1004 203 114 LYS HA H 4.057 0.022 1 1005 203 114 LYS HB2 H 1.889 0.04 1 1006 203 114 LYS HB3 H 1.628 0.025 1 1007 203 114 LYS HD2 H 1.638 0.001 1 1008 203 114 LYS HD3 H 1.638 0.001 1 1009 203 114 LYS HE2 H 2.905 0.012 1 1010 203 114 LYS HE3 H 2.905 0.012 1 1011 203 114 LYS HG2 H 1.583 0.039 1 1012 203 114 LYS HG3 H 1.439 0.09 1 1013 203 114 LYS CA C 59.536 0.509 1 1014 203 114 LYS CB C 32.67 0.366 1 1015 203 114 LYS CD C 29.697 0.001 1 1016 203 114 LYS CG C 25.71 0.178 1 1017 203 114 LYS N N 119.436 0.067 1 1018 204 115 ILE H H 7.987 0.013 1 1019 204 115 ILE HA H 3.606 0.031 1 1020 204 115 ILE HB H 1.94 0.013 1 1021 204 115 ILE HD1 H 0.646 0.038 1 1022 204 115 ILE HG12 H 1.567 0.022 1 1023 204 115 ILE HG13 H 0.786 0.031 1 1024 204 115 ILE HG2 H 0.783 0.024 1 1025 204 115 ILE CA C 65.321 0.175 1 1026 204 115 ILE CB C 37.426 0.379 1 1027 204 115 ILE CD1 C 14.437 0.013 1 1028 204 115 ILE CG1 C 28.875 0.583 1 1029 204 115 ILE CG2 C 19.373 0.308 1 1030 204 115 ILE N N 119.816 0.08 1 1031 205 116 MET H H 8.817 0.043 1 1032 205 116 MET HA H 3.435 0.026 1 1033 205 116 MET HB2 H 1.979 0.031 1 1034 205 116 MET HB3 H 1.677 0.019 1 1035 205 116 MET HE H 1.483 0.032 1 1036 205 116 MET HG2 H 2.058 0.015 1 1037 205 116 MET HG3 H 1.995 0.008 1 1038 205 116 MET CA C 60.665 0.39 1 1039 205 116 MET CB C 33.928 0.696 1 1040 205 116 MET CE C 16.966 0.025 1 1041 205 116 MET CG C 33.028 0.275 1 1042 205 116 MET N N 119.123 0.09 1 1043 206 117 GLU H H 8.495 0.019 1 1044 206 117 GLU HA H 3.632 0.035 1 1045 206 117 GLU HB2 H 2.198 0.034 1 1046 206 117 GLU HB3 H 1.955 0.033 1 1047 206 117 GLU HG2 H 2.543 0.043 1 1048 206 117 GLU HG3 H 2.112 0.051 1 1049 206 117 GLU CA C 61.2 0.529 1 1050 206 117 GLU CB C 28.575 0.036 1 1051 206 117 GLU CG C 37.674 0.092 1 1052 206 117 GLU N N 116.879 0.126 1 1053 207 118 ARG H H 7.212 0.019 1 1054 207 118 ARG HA H 4.129 0.041 1 1055 207 118 ARG HB2 H 1.971 0.052 1 1056 207 118 ARG HB3 H 1.937 0.024 1 1057 207 118 ARG HD2 H 3.225 0.009 1 1058 207 118 ARG HD3 H 3.171 0.012 1 1059 207 118 ARG HE H 7.304 0.008 1 1060 207 118 ARG HG2 H 1.779 0.023 1 1061 207 118 ARG CA C 59.236 0.446 1 1062 207 118 ARG CB C 30.221 0.141 1 1063 207 118 ARG CD C 44.264 0.001 1 1064 207 118 ARG CG C 28.512 0.052 1 1065 207 118 ARG N N 117.96 0.174 1 1066 207 118 ARG NE N 84.248 0.13 1 1067 208 119 VAL H H 8.25 0.029 1 1068 208 119 VAL HA H 3.515 0.03 1 1069 208 119 VAL HB H 2.051 0.049 1 1070 208 119 VAL HG1 H 1.094 0.024 1 1071 208 119 VAL HG2 H 1.038 0.034 1 1072 208 119 VAL CA C 66.808 0.214 1 1073 208 119 VAL CB C 32.755 0.307 1 1074 208 119 VAL CG1 C 22.24 0.046 1 1075 208 119 VAL CG2 C 24.104 0.001 1 1076 208 119 VAL N N 120.148 0.045 1 1077 209 120 VAL H H 8.96 0.02 1 1078 209 120 VAL HA H 3.632 0.041 1 1079 209 120 VAL HB H 2.159 0.034 1 1080 209 120 VAL HG1 H 0.946 0.048 1 1081 209 120 VAL HG2 H 1.218 0.022 1 1082 209 120 VAL CA C 66.639 0.264 1 1083 209 120 VAL CB C 31.611 0.613 1 1084 209 120 VAL CG1 C 24.448 0.22 1 1085 209 120 VAL CG2 C 25.511 0.115 1 1086 209 120 VAL N N 118.947 0.235 1 1087 210 121 GLU H H 8.147 0.041 1 1088 210 121 GLU HA H 3.605 0.043 1 1089 210 121 GLU HB2 H 2.158 0.03 1 1090 210 121 GLU HG2 H 2.166 0.015 1 1091 210 121 GLU HG3 H 2.381 0.045 1 1092 210 121 GLU CA C 61.383 0.438 1 1093 210 121 GLU CB C 29.302 0.427 1 1094 210 121 GLU CG C 36.891 0.001 1 1095 210 121 GLU N N 121.042 0.2 1 1096 211 122 GLN H H 7.211 0.011 1 1097 211 122 GLN HA H 3.978 0.054 1 1098 211 122 GLN HB2 H 2.142 0.026 1 1099 211 122 GLN HB3 H 2.142 0.027 1 1100 211 122 GLN HE22 H 6.967 0.016 1 1101 211 122 GLN HG2 H 2.449 0.054 1 1102 211 122 GLN HG3 H 2.38 0.029 1 1103 211 122 GLN CA C 59.5 0.346 1 1104 211 122 GLN CB C 28.138 0.42 1 1105 211 122 GLN CG C 34.509 0.088 1 1106 211 122 GLN N N 115.226 0.19 1 1107 212 123 MET H H 7.993 0.011 1 1108 212 123 MET HA H 4.121 0.045 1 1109 212 123 MET HB2 H 2.186 0.018 1 1110 212 123 MET HB3 H 2.333 0.039 1 1111 212 123 MET HE H 2.153 0.034 1 1112 212 123 MET HG2 H 2.752 0.045 1 1113 212 123 MET HG3 H 2.502 0.044 1 1114 212 123 MET CA C 60.637 0.372 1 1115 212 123 MET CB C 35.573 1.468 1 1116 212 123 MET CE C 18.505 0.004 1 1117 212 123 MET CG C 33.12 0.224 1 1118 212 123 MET N N 119.419 0.162 1 1119 213 124 CYS H H 9.22 0.044 1 1120 213 124 CYS HA H 4.357 0.032 1 1121 213 124 CYS HB2 H 3.551 0.037 1 1122 213 124 CYS HB3 H 2.857 0.032 1 1123 213 124 CYS CA C 60.785 0.399 1 1124 213 124 CYS CB C 42.502 0.411 1 1125 213 124 CYS N N 119.073 0.243 1 1126 214 125 VAL H H 8.371 0.02 1 1127 214 125 VAL HA H 3.409 0.033 1 1128 214 125 VAL HB H 1.945 0.001 1 1129 214 125 VAL HG1 H 0.929 0.015 1 1130 214 125 VAL CA C 67.802 0.024 1 1131 214 125 VAL CB C 31.659 0.035 1 1132 214 125 VAL CG1 C 22.184 0.089 1 1133 214 125 VAL N N 123.541 0.201 1 1134 215 126 THR H H 8.079 0.019 1 1135 215 126 THR HA H 3.879 0.012 1 1136 215 126 THR HB H 4.304 0.016 1 1137 215 126 THR HG2 H 1.227 0.02 1 1138 215 126 THR CA C 67.576 0.303 1 1139 215 126 THR CB C 69.238 0.484 1 1140 215 126 THR CG2 C 22.849 0.101 1 1141 215 126 THR N N 118.036 0.119 1 1142 216 127 GLN H H 8.755 0.02 1 1143 216 127 GLN HA H 3.673 0.053 1 1144 216 127 GLN HB2 H 2.351 0.037 1 1145 216 127 GLN HG2 H 1.659 0.031 1 1146 216 127 GLN CA C 59.393 0.367 1 1147 216 127 GLN CB C 28.699 0.279 1 1148 216 127 GLN N N 122.557 0.106 1 1149 217 128 TYR H H 8.488 0.014 1 1150 217 128 TYR HA H 2.918 0.049 1 1151 217 128 TYR HB2 H 2.541 0.043 1 1152 217 128 TYR HB3 H 2.088 0.027 1 1153 217 128 TYR HD1 H 6.157 0.01 3 1154 217 128 TYR HE1 H 7.111 0.002 1 1155 217 128 TYR HE2 H 8.284 0.001 1 1156 217 128 TYR CA C 62.581 0.423 1 1157 217 128 TYR CB C 37.638 0.145 1 1158 217 128 TYR N N 119.841 0.141 1 1159 218 129 GLN H H 8.363 0.028 1 1160 218 129 GLN HA H 3.75 0.027 1 1161 218 129 GLN HB2 H 2.321 0.011 1 1162 218 129 GLN HB3 H 2.095 0.036 1 1163 218 129 GLN HG2 H 2.715 0.013 1 1164 218 129 GLN HG3 H 2.483 0.025 1 1165 218 129 GLN CA C 59.656 0.324 1 1166 218 129 GLN CB C 28.17 0.265 1 1167 218 129 GLN CG C 34.188 0.332 1 1168 218 129 GLN N N 120.218 0.142 1 1169 219 130 GLN H H 8.241 0.013 1 1170 219 130 GLN HA H 3.973 0.039 1 1171 219 130 GLN HB2 H 2.111 0.023 1 1172 219 130 GLN HG2 H 2.357 0.03 1 1173 219 130 GLN HG3 H 2.491 0.012 1 1174 219 130 GLN CA C 59.43 0.336 1 1175 219 130 GLN CB C 28.536 0.07 1 1176 219 130 GLN CG C 34.598 0.115 1 1177 219 130 GLN N N 118.856 0.21 1 1178 220 131 GLU H H 8.494 0.014 1 1179 220 131 GLU HA H 4.07 0.01 1 1180 220 131 GLU HB2 H 2.138 0.016 1 1181 220 131 GLU HB3 H 1.881 0.018 1 1182 220 131 GLU HG2 H 2.155 0.022 1 1183 220 131 GLU HG3 H 2.407 0.025 1 1184 220 131 GLU CA C 58.846 0.264 1 1185 220 131 GLU CB C 30.589 0.53 1 1186 220 131 GLU CG C 37.274 0.225 1 1187 220 131 GLU N N 118.677 0.083 1 1188 221 132 SER H H 8.428 0.018 1 1189 221 132 SER HA H 3.986 0.052 1 1190 221 132 SER HB2 H 3.572 0.019 1 1191 221 132 SER HB3 H 3.366 0.017 1 1192 221 132 SER CA C 62.45 0.001 1 1193 221 132 SER CB C 63.12 0.037 1 1194 221 132 SER N N 116.78 0.001 1 1195 222 133 GLN H H 7.827 0.019 1 1196 222 133 GLN HA H 4.17 0.012 1 1197 222 133 GLN HB2 H 2.144 0.017 1 1198 222 133 GLN HE22 H 6.793 0.006 1 1199 222 133 GLN HG2 H 2.478 0.013 1 1200 222 133 GLN HG3 H 2.411 0.028 1 1201 222 133 GLN CA C 59.231 0.259 1 1202 222 133 GLN CB C 28.629 0.211 1 1203 222 133 GLN CG C 34.526 0.066 1 1204 222 133 GLN N N 122.359 0.028 1 1205 223 134 ALA H H 7.852 0.035 1 1206 223 134 ALA HA H 4.164 0.041 1 1207 223 134 ALA HB H 1.53 0.069 1 1208 223 134 ALA CA C 55.652 0.073 1 1209 223 134 ALA N N 122.275 0.036 1 1210 224 135 ALA H H 8.004 0.01 1 1211 224 135 ALA HA H 4.089 0.036 1 1212 224 135 ALA HB H 1.442 0.023 1 1213 224 135 ALA CA C 55.444 0.386 1 1214 224 135 ALA CB C 18.853 0.058 1 1215 224 135 ALA N N 120.71 0.047 1 1216 225 136 TYR H H 7.973 0.004 1 1217 225 136 TYR HA H 4.293 0.042 1 1218 225 136 TYR HB2 H 3.177 0.01 1 1219 225 136 TYR HB3 H 3.163 0.011 1 1220 225 136 TYR HD1 H 7.11 0.006 3 1221 225 136 TYR CA C 61.007 0.388 1 1222 225 136 TYR CB C 38.45 0.331 1 1223 225 136 TYR N N 120.584 0.054 1 1224 226 137 GLN H H 8.101 0.034 1 1225 226 137 GLN HA H 3.9 0.007 1 1226 226 137 GLN HB2 H 2.167 0.022 1 1227 226 137 GLN HB3 H 2.167 0.022 1 1228 226 137 GLN HG2 H 2.486 0.031 1 1229 226 137 GLN CA C 58.769 0.324 1 1230 226 137 GLN CB C 28.416 0.298 1 1231 226 137 GLN CG C 34.468 0.055 1 1232 226 137 GLN N N 118.295 0.167 1 1233 227 138 ARG H H 8.065 0.027 1 1234 227 138 ARG HA H 4.093 0.044 1 1235 227 138 ARG HB2 H 1.962 0.008 1 1236 227 138 ARG HB3 H 1.894 0.051 1 1237 227 138 ARG HD2 H 3.26 0.045 1 1238 227 138 ARG HD3 H 3.125 0.008 1 1239 227 138 ARG HE H 7.321 0.012 1 1240 227 138 ARG HG2 H 1.576 0.061 1 1241 227 138 ARG HG3 H 1.8 0.057 1 1242 227 138 ARG CA C 59.29 0.31 1 1243 227 138 ARG CB C 30.541 0.031 1 1244 227 138 ARG CD C 44.085 0.243 1 1245 227 138 ARG CG C 28.637 0.032 1 1246 227 138 ARG N N 118.874 0.105 1 1247 227 138 ARG NE N 84.612 0.177 1 1248 228 139 ALA H H 7.736 0.003 1 1249 228 139 ALA HA H 4.152 0.007 1 1250 228 139 ALA HB H 1.478 0.02 1 1251 228 139 ALA CA C 54.648 0.309 1 1252 228 139 ALA CB C 18.886 0.014 1 1253 228 139 ALA N N 122.023 0.027 1 stop_ save_