data_15399 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of rabbit prion protein mutation I214V ; _BMRB_accession_number 15399 _BMRB_flat_file_name bmr15399.str _Entry_type original _Submission_date 2007-07-20 _Accession_date 2007-07-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Jun . . 2 Lin Donghai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 798 "13C chemical shifts" 532 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-19 original author . stop_ _Original_release_date 2010-10-19 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 'rpp I214V' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'rpp I214V' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'rpp I214V' _Molecular_mass 12471.928 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; QGGTHNQWGKPSKPKTSMKH VAGAAAAGAVVGGLGGYMLG SAMSRPLIHFGNDYEDRYYR ENMYRYPNQVYYRPVDQYSN QNSFVHDCVNITVKQHTVTT TTKGENFTETDIKIMERVVE QMCVTQYQQESQAAYQRA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 91 GLN 2 92 GLY 3 93 GLY 4 94 THR 5 95 HIS 6 96 ASN 7 97 GLN 8 98 TRP 9 99 GLY 10 100 LYS 11 101 PRO 12 102 SER 13 103 LYS 14 104 PRO 15 105 LYS 16 106 THR 17 107 SER 18 108 MET 19 109 LYS 20 110 HIS 21 111 VAL 22 112 ALA 23 113 GLY 24 114 ALA 25 115 ALA 26 116 ALA 27 117 ALA 28 118 GLY 29 119 ALA 30 120 VAL 31 121 VAL 32 122 GLY 33 123 GLY 34 124 LEU 35 125 GLY 36 126 GLY 37 127 TYR 38 128 MET 39 129 LEU 40 130 GLY 41 131 SER 42 132 ALA 43 133 MET 44 134 SER 45 135 ARG 46 136 PRO 47 137 LEU 48 138 ILE 49 139 HIS 50 140 PHE 51 141 GLY 52 142 ASN 53 143 ASP 54 144 TYR 55 145 GLU 56 146 ASP 57 147 ARG 58 148 TYR 59 149 TYR 60 150 ARG 61 151 GLU 62 152 ASN 63 153 MET 64 154 TYR 65 155 ARG 66 156 TYR 67 157 PRO 68 158 ASN 69 159 GLN 70 160 VAL 71 161 TYR 72 162 TYR 73 163 ARG 74 164 PRO 75 165 VAL 76 166 ASP 77 167 GLN 78 168 TYR 79 169 SER 80 170 ASN 81 171 GLN 82 172 ASN 83 173 SER 84 174 PHE 85 175 VAL 86 176 HIS 87 177 ASP 88 178 CYS 89 179 VAL 90 180 ASN 91 181 ILE 92 182 THR 93 183 VAL 94 184 LYS 95 185 GLN 96 186 HIS 97 187 THR 98 188 VAL 99 189 THR 100 190 THR 101 191 THR 102 192 THR 103 193 LYS 104 194 GLY 105 195 GLU 106 196 ASN 107 197 PHE 108 198 THR 109 199 GLU 110 200 THR 111 201 ASP 112 202 ILE 113 203 LYS 114 204 ILE 115 205 MET 116 206 GLU 117 207 ARG 118 208 VAL 119 209 VAL 120 210 GLU 121 211 GLN 122 212 MET 123 213 CYS 124 214 VAL 125 215 THR 126 216 GLN 127 217 TYR 128 218 GLN 129 219 GLN 130 220 GLU 131 221 SER 132 222 GLN 133 223 ALA 134 224 ALA 135 225 TYR 136 226 GLN 137 227 ARG 138 228 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15394 "rpp mutation S173N" 100.00 138 97.83 99.28 1.47e-96 BMRB 16328 prion_protein 100.00 145 98.55 100.00 1.23e-97 BMRB 16616 prion 100.00 145 100.00 100.00 1.64e-98 PDB 2FJ3 "Nmr Solution Of Rabbit Prion Protein (91-228)" 100.00 138 99.28 100.00 1.78e-98 PDB 2JOH "Nmr Structure Of Rabbit Prion Protein Mutation S173n" 100.00 148 98.55 100.00 7.93e-98 PDB 2JOM "Nmr Structure Of Rabbit Prion Protein Mutation I214v" 100.00 148 100.00 100.00 1.43e-98 PDB 3O79 "Crystal Structure Of Wild-Type Rabbit Prp 126-230" 75.36 105 99.04 100.00 5.17e-71 PDB 4HLS "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" 79.71 132 98.18 100.00 1.96e-74 PDB 4HMM "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" 79.71 132 98.18 100.00 1.96e-74 PDB 4HMR "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" 79.71 132 97.27 100.00 8.00e-74 GB AAC48697 "major prion protein [Oryctolagus cuniculus]" 100.00 252 99.28 100.00 1.62e-96 GB AAD01554 "prion protein [Oryctolagus cuniculus]" 99.28 254 99.27 100.00 8.69e-96 GB ABL75505 "prion protein, partial [Oryctolagus cuniculus]" 100.00 244 99.28 100.00 1.47e-96 GB AEM44421 "prion protein [Ovis aries]" 70.29 97 97.94 98.97 8.14e-64 GB AEM44422 "prion protein [Ovis aries]" 70.29 97 97.94 98.97 1.75e-63 REF NP_001075490 "major prion protein precursor [Oryctolagus cuniculus]" 99.28 254 99.27 100.00 8.69e-96 REF XP_008254357 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 100.00 252 99.28 100.00 1.62e-96 REF XP_008254358 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 100.00 252 99.28 100.00 1.62e-96 SP Q95211 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 252 99.28 100.00 1.62e-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 $entity rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET-30a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.7 0.8 '[U-13C; U-15N]' 'sodium acetate' 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 . pH pressure 1 . atm temperature 298.13 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449529 DSS H 1 'methyl protons' ppm 0 internal indirect . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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_ _Experiment_label '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 'rpp I214V' _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 1 GLN HA H 4.423 0.003 1 2 91 1 GLN HB2 H 2.047 0.023 1 3 91 1 GLN HB3 H 2.047 0.023 1 4 91 1 GLN HE21 H 6.867 0.001 1 5 91 1 GLN HE22 H 7.522 0.001 1 6 91 1 GLN HG2 H 2.400 0.013 1 7 91 1 GLN HG3 H 2.400 0.013 1 8 91 1 GLN C C 176.095 0.000 1 9 91 1 GLN CA C 56.145 0.026 1 10 91 1 GLN CB C 29.725 0.114 1 11 91 1 GLN CG C 33.678 0.063 1 12 91 1 GLN NE2 N 111.846 0.082 1 13 92 2 GLY H H 8.610 0.001 1 14 92 2 GLY HA2 H 4.002 0.006 1 15 92 2 GLY HA3 H 4.002 0.006 1 16 92 2 GLY C C 174.514 0.036 1 17 92 2 GLY CA C 45.315 0.034 1 18 92 2 GLY N N 111.436 0.019 1 19 93 3 GLY H H 8.311 0.002 1 20 93 3 GLY HA2 H 4.010 0.005 1 21 93 3 GLY HA3 H 4.010 0.005 1 22 93 3 GLY C C 174.486 0.041 1 23 93 3 GLY CA C 45.331 0.128 1 24 93 3 GLY N N 108.625 0.038 1 25 94 4 THR H H 8.112 0.009 1 26 94 4 THR HA H 4.300 0.007 1 27 94 4 THR HB H 4.168 0.005 1 28 94 4 THR HG2 H 1.153 0.014 1 29 94 4 THR C C 174.613 0.054 1 30 94 4 THR CA C 62.003 0.160 1 31 94 4 THR CB C 69.891 0.140 1 32 94 4 THR CG2 C 21.674 0.213 1 33 94 4 THR N N 113.225 0.018 1 34 95 5 HIS H H 8.557 0.002 1 35 95 5 HIS HA H 4.616 0.034 1 36 95 5 HIS HB2 H 3.094 0.019 1 37 95 5 HIS HB3 H 3.157 0.034 1 38 95 5 HIS HD2 H 7.100 0.000 1 39 95 5 HIS C C 174.302 0.054 1 40 95 5 HIS CA C 55.665 0.356 1 41 95 5 HIS CB C 29.646 0.302 1 42 95 5 HIS N N 120.735 0.076 1 43 96 6 ASN H H 8.386 0.002 1 44 96 6 ASN HA H 4.578 0.015 1 45 96 6 ASN HB2 H 2.653 0.005 1 46 96 6 ASN HB3 H 2.653 0.005 1 47 96 6 ASN HD21 H 6.876 0.007 1 48 96 6 ASN HD22 H 7.498 0.002 1 49 96 6 ASN C C 175.153 0.043 1 50 96 6 ASN CA C 53.358 0.117 1 51 96 6 ASN CB C 38.890 0.167 1 52 96 6 ASN N N 119.928 0.022 1 53 96 6 ASN ND2 N 112.225 0.120 1 54 97 7 GLN H H 8.360 0.001 1 55 97 7 GLN HA H 4.216 0.007 1 56 97 7 GLN HB2 H 1.874 0.014 1 57 97 7 GLN HB3 H 1.815 0.008 1 58 97 7 GLN HE21 H 6.804 0.002 1 59 97 7 GLN HE22 H 7.340 0.002 1 60 97 7 GLN HG2 H 2.101 0.013 1 61 97 7 GLN HG3 H 2.014 0.000 1 62 97 7 GLN C C 175.655 0.026 1 63 97 7 GLN CA C 56.181 0.144 1 64 97 7 GLN CB C 29.238 0.176 1 65 97 7 GLN CG C 33.540 0.111 1 66 97 7 GLN N N 120.728 0.020 1 67 97 7 GLN NE2 N 111.712 0.070 1 68 98 8 TRP H H 8.121 0.001 1 69 98 8 TRP HA H 4.712 0.016 1 70 98 8 TRP HB2 H 3.220 0.002 1 71 98 8 TRP HB3 H 3.357 0.002 1 72 98 8 TRP HD1 H 7.643 0.000 1 73 98 8 TRP HE1 H 10.091 0.000 1 74 98 8 TRP HE3 H 7.238 0.000 1 75 98 8 TRP HZ3 H 6.632 0.000 1 76 98 8 TRP C C 176.696 0.020 1 77 98 8 TRP CA C 57.336 0.179 1 78 98 8 TRP CB C 29.810 0.057 1 79 98 8 TRP N N 121.826 0.024 1 80 98 8 TRP NE1 N 129.182 0.000 1 81 99 9 GLY H H 8.180 0.002 1 82 99 9 GLY HA2 H 3.854 0.004 1 83 99 9 GLY HA3 H 3.854 0.004 1 84 99 9 GLY C C 173.600 0.045 1 85 99 9 GLY CA C 45.224 0.056 1 86 99 9 GLY N N 110.260 0.020 1 87 100 10 LYS H H 8.045 0.001 1 88 100 10 LYS HA H 4.613 0.008 1 89 100 10 LYS HB2 H 1.812 0.012 1 90 100 10 LYS HB3 H 1.700 0.016 1 91 100 10 LYS HD2 H 1.699 0.016 2 92 100 10 LYS HD3 H 1.699 0.016 2 93 100 10 LYS HE2 H 2.998 0.002 2 94 100 10 LYS HE3 H 2.998 0.002 2 95 100 10 LYS HG2 H 1.457 0.005 1 96 100 10 LYS HG3 H 1.457 0.005 1 97 100 10 LYS C C 174.639 0.000 1 98 100 10 LYS CA C 54.340 0.209 1 99 100 10 LYS CB C 32.858 0.159 1 100 100 10 LYS CD C 29.072 0.000 1 101 100 10 LYS CE C 41.964 0.005 1 102 100 10 LYS CG C 25.109 0.039 1 103 100 10 LYS N N 121.811 0.022 1 104 101 11 PRO HA H 4.458 0.010 1 105 101 11 PRO HB2 H 1.906 0.013 1 106 101 11 PRO HB3 H 2.302 0.008 1 107 101 11 PRO HD2 H 3.829 0.005 1 108 101 11 PRO HD3 H 3.643 0.010 1 109 101 11 PRO HG2 H 2.018 0.011 1 110 101 11 PRO HG3 H 2.018 0.011 1 111 101 11 PRO C C 176.971 0.000 1 112 101 11 PRO CA C 63.201 0.193 1 113 101 11 PRO CB C 32.341 0.216 1 114 101 11 PRO CD C 50.890 0.210 1 115 101 11 PRO CG C 27.615 0.251 1 116 102 12 SER H H 8.431 0.001 1 117 102 12 SER HA H 4.433 0.010 1 118 102 12 SER HB2 H 3.838 0.004 1 119 102 12 SER HB3 H 3.838 0.004 1 120 102 12 SER C C 174.154 0.000 1 121 102 12 SER CA C 58.293 0.252 1 122 102 12 SER CB C 64.037 0.134 1 123 102 12 SER N N 116.987 0.024 1 124 103 13 LYS H H 8.324 0.001 1 125 103 13 LYS HA H 4.616 0.009 1 126 103 13 LYS HB2 H 1.759 0.020 1 127 103 13 LYS HB3 H 1.818 0.007 1 128 103 13 LYS HD2 H 1.696 0.013 1 129 103 13 LYS HD3 H 1.696 0.013 1 130 103 13 LYS HE2 H 2.991 0.019 1 131 103 13 LYS HE3 H 2.991 0.019 1 132 103 13 LYS HG2 H 1.464 0.006 1 133 103 13 LYS HG3 H 1.464 0.006 1 134 103 13 LYS C C 174.502 0.000 1 135 103 13 LYS CA C 54.372 0.154 1 136 103 13 LYS CB C 32.830 0.211 1 137 103 13 LYS CD C 29.322 0.269 1 138 103 13 LYS CE C 41.995 0.156 1 139 103 13 LYS CG C 24.713 0.183 1 140 103 13 LYS N N 124.227 0.018 1 141 104 14 PRO HA H 4.411 0.017 1 142 104 14 PRO HB2 H 2.301 0.009 1 143 104 14 PRO HB3 H 1.909 0.010 1 144 104 14 PRO HD2 H 3.833 0.009 1 145 104 14 PRO HD3 H 3.641 0.007 1 146 104 14 PRO HG2 H 2.023 0.008 1 147 104 14 PRO HG3 H 2.023 0.008 1 148 104 14 PRO CA C 63.285 0.388 1 149 104 14 PRO CB C 32.446 0.302 1 150 104 14 PRO CD C 51.061 0.129 1 151 104 14 PRO CG C 27.683 0.246 1 152 105 15 LYS H H 8.531 0.001 1 153 105 15 LYS HA H 4.340 0.008 1 154 105 15 LYS HB2 H 1.789 0.019 1 155 105 15 LYS HB3 H 1.845 0.022 1 156 105 15 LYS HD2 H 1.696 0.017 1 157 105 15 LYS HD3 H 1.696 0.017 1 158 105 15 LYS HE2 H 3.016 0.003 1 159 105 15 LYS HE3 H 3.016 0.003 1 160 105 15 LYS HG2 H 1.492 0.000 1 161 105 15 LYS HG3 H 1.356 0.025 1 162 105 15 LYS C C 176.948 0.010 1 163 105 15 LYS CA C 56.586 0.121 1 164 105 15 LYS CB C 33.018 0.161 1 165 105 15 LYS CD C 28.906 0.123 1 166 105 15 LYS CE C 41.883 0.066 1 167 105 15 LYS CG C 24.936 0.199 1 168 105 15 LYS N N 122.267 0.021 1 169 106 16 THR H H 8.134 0.002 1 170 106 16 THR HA H 4.377 0.030 1 171 106 16 THR HB H 4.201 0.015 1 172 106 16 THR HG2 H 1.209 0.005 1 173 106 16 THR C C 174.363 0.045 1 174 106 16 THR CA C 61.716 0.111 1 175 106 16 THR CB C 70.102 0.167 1 176 106 16 THR CG2 C 21.740 0.225 1 177 106 16 THR N N 115.564 0.022 1 178 107 17 SER H H 8.384 0.002 1 179 107 17 SER HA H 4.484 0.006 1 180 107 17 SER HB2 H 3.858 0.012 1 181 107 17 SER HB3 H 4.019 0.010 1 182 107 17 SER C C 174.380 0.000 1 183 107 17 SER CA C 58.185 0.126 1 184 107 17 SER CB C 64.039 0.192 1 185 107 17 SER N N 118.321 0.022 1 186 108 18 MET H H 8.407 0.001 1 187 108 18 MET HA H 4.484 0.006 1 188 108 18 MET HB2 H 2.036 0.015 1 189 108 18 MET HB3 H 1.979 0.004 1 190 108 18 MET HE H 2.087 0.001 1 191 108 18 MET HG2 H 2.553 0.011 1 192 108 18 MET HG3 H 2.518 0.002 1 193 108 18 MET C C 175.980 0.021 1 194 108 18 MET CA C 55.501 0.133 1 195 108 18 MET CB C 33.077 0.182 1 196 108 18 MET CE C 17.411 0.002 1 197 108 18 MET CG C 31.995 0.121 1 198 108 18 MET N N 122.919 0.023 1 199 109 19 LYS H H 8.289 0.001 1 200 109 19 LYS HA H 4.268 0.008 1 201 109 19 LYS HB2 H 1.728 0.010 1 202 109 19 LYS HB3 H 1.728 0.010 1 203 109 19 LYS HD2 H 1.654 0.010 1 204 109 19 LYS HD3 H 1.654 0.010 1 205 109 19 LYS HE2 H 2.964 0.021 1 206 109 19 LYS HE3 H 2.964 0.021 1 207 109 19 LYS HG2 H 1.384 0.026 1 208 109 19 LYS HG3 H 1.420 0.000 1 209 109 19 LYS C C 176.144 0.029 1 210 109 19 LYS CA C 56.434 0.210 1 211 109 19 LYS CB C 33.239 0.206 1 212 109 19 LYS CD C 29.003 0.208 1 213 109 19 LYS CE C 41.877 0.060 1 214 109 19 LYS CG C 25.103 0.308 1 215 109 19 LYS N N 122.837 0.030 1 216 110 20 HIS H H 8.561 0.005 1 217 110 20 HIS HA H 4.677 0.026 1 218 110 20 HIS HB2 H 3.112 0.019 1 219 110 20 HIS HB3 H 3.157 0.016 1 220 110 20 HIS HD1 H 7.096 0.007 1 221 110 20 HIS C C 174.753 0.584 1 222 110 20 HIS CA C 55.626 0.322 1 223 110 20 HIS CB C 29.985 0.242 1 224 110 20 HIS N N 120.919 0.038 1 225 111 21 VAL H H 8.215 0.003 1 226 111 21 VAL HA H 4.092 0.014 1 227 111 21 VAL HB H 2.028 0.011 1 228 111 21 VAL HG1 H 0.897 0.014 1 229 111 21 VAL HG2 H 1.000 0.000 1 230 111 21 VAL C C 175.533 0.009 1 231 111 21 VAL CA C 62.053 0.100 1 232 111 21 VAL CB C 33.069 0.154 1 233 111 21 VAL CG1 C 21.113 0.156 1 234 111 21 VAL CG2 C 21.113 0.156 1 235 111 21 VAL N N 122.982 0.023 1 236 112 22 ALA H H 8.466 0.002 1 237 112 22 ALA HA H 4.309 0.013 1 238 112 22 ALA HB H 1.391 0.018 1 239 112 22 ALA C C 178.055 0.005 1 240 112 22 ALA CA C 52.712 0.119 1 241 112 22 ALA CB C 19.586 0.168 1 242 112 22 ALA N N 128.453 0.021 1 243 113 23 GLY H H 8.346 0.034 1 244 113 23 GLY HA2 H 3.941 0.007 1 245 113 23 GLY HA3 H 3.941 0.007 1 246 113 23 GLY C C 173.910 0.047 1 247 113 23 GLY CA C 45.285 0.154 1 248 113 23 GLY N N 108.596 0.318 1 249 114 24 ALA H H 8.153 0.001 1 250 114 24 ALA HA H 4.295 0.004 1 251 114 24 ALA HB H 1.386 0.011 1 252 114 24 ALA C C 177.687 0.000 1 253 114 24 ALA CA C 52.610 0.141 1 254 114 24 ALA CB C 19.412 0.215 1 255 114 24 ALA N N 123.952 0.015 1 256 115 25 ALA H H 8.291 0.001 1 257 115 25 ALA HA H 4.275 0.003 1 258 115 25 ALA HB H 1.379 0.000 1 259 115 25 ALA C C 177.635 0.000 1 260 115 25 ALA CA C 52.703 0.180 1 261 115 25 ALA CB C 19.468 0.000 1 262 115 25 ALA N N 123.455 0.011 1 263 116 26 ALA H H 8.206 0.000 1 264 116 26 ALA HA H 4.281 0.005 1 265 116 26 ALA HB H 1.377 0.002 1 266 116 26 ALA C C 177.570 0.000 1 267 116 26 ALA CA C 52.703 0.205 1 268 116 26 ALA CB C 19.520 0.000 1 269 116 26 ALA N N 123.478 0.000 1 270 117 27 ALA H H 8.218 0.006 1 271 117 27 ALA HA H 4.291 0.005 1 272 117 27 ALA HB H 1.388 0.009 1 273 117 27 ALA C C 178.259 0.015 1 274 117 27 ALA CA C 52.763 0.115 1 275 117 27 ALA CB C 19.518 0.115 1 276 117 27 ALA N N 123.453 0.019 1 277 118 28 GLY H H 8.288 0.019 1 278 118 28 GLY HA2 H 3.926 0.008 1 279 118 28 GLY HA3 H 3.926 0.008 1 280 118 28 GLY C C 173.786 0.044 1 281 118 28 GLY CA C 45.301 0.090 1 282 118 28 GLY N N 108.077 0.186 1 283 119 29 ALA H H 8.050 0.001 1 284 119 29 ALA HA H 4.349 0.006 1 285 119 29 ALA HB H 1.362 0.010 1 286 119 29 ALA C C 177.603 0.037 1 287 119 29 ALA CA C 52.465 0.120 1 288 119 29 ALA CB C 19.784 0.129 1 289 119 29 ALA N N 123.625 0.020 1 290 120 30 VAL H H 8.119 0.002 1 291 120 30 VAL HA H 4.130 0.009 1 292 120 30 VAL HB H 2.021 0.009 1 293 120 30 VAL HG1 H 0.960 0.000 1 294 120 30 VAL HG2 H 0.885 0.017 1 295 120 30 VAL C C 176.370 0.018 1 296 120 30 VAL CA C 62.288 0.169 1 297 120 30 VAL CB C 32.923 0.210 1 298 120 30 VAL CG1 C 20.820 0.000 1 299 120 30 VAL CG2 C 21.555 0.116 1 300 120 30 VAL N N 119.698 0.041 1 301 121 31 VAL H H 8.261 0.002 1 302 121 31 VAL HA H 4.084 0.008 1 303 121 31 VAL HB H 2.026 0.019 1 304 121 31 VAL HG1 H 0.899 0.015 1 305 121 31 VAL C C 176.624 0.033 1 306 121 31 VAL CA C 62.632 0.184 1 307 121 31 VAL CB C 32.901 0.144 1 308 121 31 VAL CG1 C 21.012 0.093 1 309 121 31 VAL CG2 C 21.012 0.093 1 310 121 31 VAL N N 124.706 0.029 1 311 122 32 GLY H H 8.525 0.005 1 312 122 32 GLY HA2 H 3.938 0.000 1 313 122 32 GLY HA3 H 3.952 0.014 1 314 122 32 GLY C C 174.704 0.033 1 315 122 32 GLY CA C 45.510 0.122 1 316 122 32 GLY N N 113.205 0.022 1 317 123 33 GLY H H 8.247 0.004 1 318 123 33 GLY HA2 H 3.961 0.009 1 319 123 33 GLY HA3 H 3.961 0.009 1 320 123 33 GLY C C 174.454 0.051 1 321 123 33 GLY CA C 45.531 0.110 1 322 123 33 GLY N N 108.473 0.017 1 323 124 34 LEU H H 8.211 0.002 1 324 124 34 LEU HA H 4.343 0.007 1 325 124 34 LEU HB2 H 1.556 0.019 1 326 124 34 LEU HB3 H 1.602 0.018 1 327 124 34 LEU HD1 H 0.641 0.016 1 328 124 34 LEU HD2 H 0.538 0.011 1 329 124 34 LEU HG H 1.480 0.014 1 330 124 34 LEU C C 178.048 0.005 1 331 124 34 LEU CA C 55.209 0.162 1 332 124 34 LEU CB C 42.659 0.238 1 333 124 34 LEU CD1 C 24.908 0.247 1 334 124 34 LEU CD2 C 23.745 0.252 1 335 124 34 LEU CG C 27.066 0.246 1 336 124 34 LEU N N 121.645 0.019 1 337 125 35 GLY H H 8.520 0.004 1 338 125 35 GLY HA2 H 3.882 0.022 2 339 125 35 GLY C C 174.897 0.030 1 340 125 35 GLY CA C 46.584 0.189 1 341 125 35 GLY N N 109.804 0.031 1 342 126 36 GLY H H 8.370 0.007 1 343 126 36 GLY HA2 H 3.788 0.011 1 344 126 36 GLY HA3 H 3.921 0.014 1 345 126 36 GLY C C 174.022 0.028 1 346 126 36 GLY CA C 45.428 0.208 1 347 126 36 GLY N N 109.336 0.043 1 348 127 37 TYR H H 7.808 0.007 1 349 127 37 TYR HA H 4.416 0.010 1 350 127 37 TYR HB2 H 2.871 0.018 1 351 127 37 TYR HB3 H 2.938 0.016 1 352 127 37 TYR HD1 H 6.852 0.012 1 353 127 37 TYR HD2 H 6.972 0.013 1 354 127 37 TYR HE2 H 8.299 0.083 3 355 127 37 TYR HH H 8.591 0.000 1 356 127 37 TYR C C 175.671 0.000 1 357 127 37 TYR CA C 58.685 0.243 1 358 127 37 TYR CB C 40.454 0.237 1 359 127 37 TYR N N 118.075 0.043 1 360 128 38 MET H H 9.105 0.006 1 361 128 38 MET HA H 4.506 0.020 1 362 128 38 MET HB2 H 1.598 0.018 1 363 128 38 MET HB3 H 1.028 0.026 1 364 128 38 MET HE H 1.974 0.008 1 365 128 38 MET HG2 H 2.219 0.013 1 366 128 38 MET HG3 H 2.158 0.014 1 367 128 38 MET C C 173.112 0.041 1 368 128 38 MET CA C 54.019 0.168 1 369 128 38 MET CB C 34.641 0.284 1 370 128 38 MET CE C 17.569 0.020 1 371 128 38 MET CG C 32.053 0.288 1 372 128 38 MET N N 121.522 0.035 1 373 129 39 LEU H H 8.042 0.006 1 374 129 39 LEU HA H 4.527 0.017 1 375 129 39 LEU HB2 H 1.690 0.274 1 376 129 39 LEU HB3 H 1.320 0.687 1 377 129 39 LEU HD1 H 0.626 0.074 1 378 129 39 LEU HD2 H 0.005 0.008 1 379 129 39 LEU HG H 1.400 0.014 1 380 129 39 LEU C C 178.160 0.000 1 381 129 39 LEU CA C 53.747 0.206 1 382 129 39 LEU CB C 43.870 0.261 1 383 129 39 LEU CD1 C 26.085 0.211 1 384 129 39 LEU CD2 C 22.127 0.209 1 385 129 39 LEU CG C 26.177 0.180 1 386 129 39 LEU N N 121.479 0.031 1 387 130 40 GLY H H 9.347 0.008 1 388 130 40 GLY HA2 H 4.432 0.015 1 389 130 40 GLY HA3 H 4.151 0.006 1 390 130 40 GLY C C 172.969 0.040 1 391 130 40 GLY CA C 45.340 0.120 1 392 130 40 GLY N N 115.072 0.043 1 393 131 41 SER H H 8.351 0.008 1 394 131 41 SER HA H 4.409 0.005 1 395 131 41 SER HB2 H 3.949 0.023 1 396 131 41 SER HB3 H 3.901 0.006 1 397 131 41 SER C C 174.534 0.000 1 398 131 41 SER CA C 58.722 0.140 1 399 131 41 SER CB C 64.171 0.133 1 400 131 41 SER N N 113.680 0.025 1 401 132 42 ALA H H 8.606 0.003 1 402 132 42 ALA HA H 4.387 0.008 1 403 132 42 ALA HB H 1.267 0.016 1 404 132 42 ALA C C 177.606 0.004 1 405 132 42 ALA CA C 53.195 0.194 1 406 132 42 ALA CB C 18.713 0.209 1 407 132 42 ALA N N 124.942 0.029 1 408 133 43 MET H H 8.821 0.005 1 409 133 43 MET HA H 4.742 0.010 1 410 133 43 MET HB2 H 2.083 0.014 1 411 133 43 MET HB3 H 1.965 0.014 1 412 133 43 MET HE H 1.895 0.009 1 413 133 43 MET HG2 H 2.528 0.016 1 414 133 43 MET HG3 H 2.457 0.010 1 415 133 43 MET C C 175.869 0.000 1 416 133 43 MET CA C 54.200 0.179 1 417 133 43 MET CB C 37.001 0.141 1 418 133 43 MET CE C 17.133 0.006 1 419 133 43 MET CG C 31.631 0.188 1 420 133 43 MET N N 121.821 0.040 1 421 134 44 SER H H 8.435 0.003 1 422 134 44 SER HA H 4.350 0.009 1 423 134 44 SER HB2 H 3.749 0.004 1 424 134 44 SER HB3 H 3.796 0.017 1 425 134 44 SER C C 174.452 0.000 1 426 134 44 SER CA C 58.852 0.192 1 427 134 44 SER CB C 63.267 0.144 1 428 134 44 SER N N 116.423 0.078 1 429 135 45 ARG H H 8.595 0.006 1 430 135 45 ARG HA H 4.393 0.015 1 431 135 45 ARG HB2 H 1.865 0.015 1 432 135 45 ARG HB3 H 1.865 0.015 1 433 135 45 ARG HD2 H 3.047 0.023 1 434 135 45 ARG HD3 H 3.141 0.016 1 435 135 45 ARG HE H 8.611 0.000 1 436 135 45 ARG HG2 H 1.693 0.012 1 437 135 45 ARG HG3 H 1.802 0.013 1 438 135 45 ARG C C 175.010 0.000 1 439 135 45 ARG CA C 55.277 0.142 1 440 135 45 ARG CB C 29.247 0.054 1 441 135 45 ARG CD C 44.228 0.269 1 442 135 45 ARG CG C 27.366 0.023 1 443 135 45 ARG N N 126.165 0.063 1 444 135 45 ARG NE N 88.066 0.000 1 445 136 46 PRO HA H 4.402 0.021 1 446 136 46 PRO HB2 H 2.251 0.030 1 447 136 46 PRO HB3 H 1.893 0.015 1 448 136 46 PRO HD2 H 3.861 0.025 1 449 136 46 PRO HD3 H 3.640 0.008 1 450 136 46 PRO HG2 H 1.762 0.019 1 451 136 46 PRO HG3 H 2.042 0.016 1 452 136 46 PRO C C 176.239 0.000 1 453 136 46 PRO CA C 62.802 0.204 1 454 136 46 PRO CB C 32.635 0.167 1 455 136 46 PRO CD C 51.109 0.068 1 456 136 46 PRO CG C 27.942 0.222 1 457 137 47 LEU H H 8.667 0.005 1 458 137 47 LEU HA H 4.563 0.006 1 459 137 47 LEU HB2 H 1.656 0.014 1 460 137 47 LEU HB3 H 1.557 0.031 1 461 137 47 LEU HD1 H 0.945 0.012 1 462 137 47 LEU HD2 H 0.880 0.008 1 463 137 47 LEU HG H 1.607 0.012 1 464 137 47 LEU C C 176.035 0.000 1 465 137 47 LEU CA C 54.592 0.169 1 466 137 47 LEU CB C 40.359 0.220 1 467 137 47 LEU CD1 C 24.812 0.183 1 468 137 47 LEU CD2 C 23.847 0.220 1 469 137 47 LEU CG C 27.193 0.312 1 470 137 47 LEU N N 125.129 0.031 1 471 138 48 ILE H H 6.982 0.004 1 472 138 48 ILE HA H 3.945 0.015 1 473 138 48 ILE HB H 1.177 0.009 1 474 138 48 ILE HD1 H 0.413 0.009 1 475 138 48 ILE HG12 H 0.712 0.016 1 476 138 48 ILE HG13 H 0.888 0.018 1 477 138 48 ILE HG2 H 0.052 0.009 1 478 138 48 ILE C C 173.821 0.045 1 479 138 48 ILE CA C 59.698 0.178 1 480 138 48 ILE CB C 39.877 0.255 1 481 138 48 ILE CD1 C 13.400 0.295 1 482 138 48 ILE CG1 C 26.909 0.298 1 483 138 48 ILE CG2 C 17.220 0.264 1 484 138 48 ILE N N 122.414 0.033 1 485 139 49 HIS H H 8.301 0.003 1 486 139 49 HIS HA H 4.937 0.005 1 487 139 49 HIS HB2 H 3.286 0.008 1 488 139 49 HIS HB3 H 2.979 0.008 1 489 139 49 HIS HD1 H 12.479 0.002 1 490 139 49 HIS HD2 H 7.397 0.012 1 491 139 49 HIS HE1 H 7.168 0.000 1 492 139 49 HIS HE2 H 6.577 0.003 1 493 139 49 HIS C C 174.696 0.000 1 494 139 49 HIS CA C 54.351 0.189 1 495 139 49 HIS CB C 29.752 0.273 1 496 139 49 HIS N N 122.092 0.068 1 497 140 50 PHE H H 10.329 0.014 1 498 140 50 PHE HA H 4.234 0.019 1 499 140 50 PHE HB2 H 3.357 0.009 1 500 140 50 PHE HB3 H 2.859 0.015 1 501 140 50 PHE HD1 H 7.380 0.004 3 502 140 50 PHE HD2 H 7.380 0.004 3 503 140 50 PHE HE2 H 6.934 0.012 3 504 140 50 PHE HZ H 7.284 0.009 1 505 140 50 PHE C C 177.007 0.000 1 506 140 50 PHE CA C 60.081 0.162 1 507 140 50 PHE CB C 40.587 0.220 1 508 140 50 PHE N N 125.282 0.041 1 509 141 51 GLY H H 9.019 0.007 1 510 141 51 GLY HA2 H 4.125 0.008 1 511 141 51 GLY HA3 H 3.740 0.011 1 512 141 51 GLY C C 173.318 0.051 1 513 141 51 GLY CA C 45.860 0.130 1 514 141 51 GLY N N 108.876 0.044 1 515 142 52 ASN H H 7.248 0.008 1 516 142 52 ASN HA H 4.863 0.019 1 517 142 52 ASN HB2 H 2.815 0.014 1 518 142 52 ASN HB3 H 2.831 0.013 1 519 142 52 ASN HD21 H 7.545 0.010 1 520 142 52 ASN HD22 H 6.818 0.000 1 521 142 52 ASN C C 174.269 0.036 1 522 142 52 ASN CA C 52.760 0.148 1 523 142 52 ASN CB C 41.651 0.182 1 524 142 52 ASN N N 114.641 0.047 1 525 142 52 ASN ND2 N 112.647 0.037 1 526 143 53 ASP H H 8.964 0.007 1 527 143 53 ASP HA H 4.433 0.009 1 528 143 53 ASP HB2 H 2.942 0.020 1 529 143 53 ASP HB3 H 2.737 0.023 1 530 143 53 ASP C C 177.699 0.000 1 531 143 53 ASP CA C 58.005 0.200 1 532 143 53 ASP CB C 41.361 0.239 1 533 143 53 ASP N N 123.681 0.095 1 534 144 54 TYR H H 8.362 0.002 1 535 144 54 TYR HA H 4.217 0.019 1 536 144 54 TYR HB2 H 3.236 0.007 1 537 144 54 TYR HB3 H 3.049 0.008 1 538 144 54 TYR HD1 H 7.081 0.017 1 539 144 54 TYR HD2 H 7.081 0.017 1 540 144 54 TYR HE1 H 6.692 0.009 3 541 144 54 TYR C C 178.055 0.000 1 542 144 54 TYR CA C 61.830 0.238 1 543 144 54 TYR CB C 37.940 0.153 1 544 144 54 TYR N N 120.234 0.082 1 545 145 55 GLU H H 8.317 0.007 1 546 145 55 GLU HA H 3.535 0.016 1 547 145 55 GLU HB2 H 1.890 0.016 1 548 145 55 GLU HB3 H 1.384 0.007 1 549 145 55 GLU HG2 H 2.484 0.014 1 550 145 55 GLU HG3 H 1.853 0.008 1 551 145 55 GLU C C 177.930 0.007 1 552 145 55 GLU CA C 60.144 0.226 1 553 145 55 GLU CB C 30.020 0.134 1 554 145 55 GLU CG C 38.506 0.244 1 555 145 55 GLU N N 119.668 0.028 1 556 146 56 ASP H H 8.023 0.010 1 557 146 56 ASP HA H 4.679 0.008 1 558 146 56 ASP HB2 H 2.944 0.018 1 559 146 56 ASP HB3 H 2.733 0.013 1 560 146 56 ASP C C 179.073 0.000 1 561 146 56 ASP CA C 58.932 0.222 1 562 146 56 ASP CB C 41.291 0.220 1 563 146 56 ASP N N 118.344 0.053 1 564 147 57 ARG H H 8.079 0.008 1 565 147 57 ARG HA H 4.006 0.015 1 566 147 57 ARG HB2 H 1.920 0.011 1 567 147 57 ARG HB3 H 1.832 0.002 1 568 147 57 ARG HD2 H 3.220 0.011 1 569 147 57 ARG HD3 H 3.178 0.015 1 570 147 57 ARG HE H 7.236 0.076 1 571 147 57 ARG HG2 H 1.741 0.014 1 572 147 57 ARG HG3 H 1.542 0.020 1 573 147 57 ARG C C 177.677 0.001 1 574 147 57 ARG CA C 59.728 0.262 1 575 147 57 ARG CB C 30.135 0.202 1 576 147 57 ARG CD C 43.566 0.250 1 577 147 57 ARG CG C 27.839 0.300 1 578 147 57 ARG N N 120.151 0.045 1 579 147 57 ARG NE N 87.333 8.697 1 580 148 58 TYR H H 8.443 0.005 1 581 148 58 TYR HA H 3.847 0.012 1 582 148 58 TYR HB2 H 2.767 0.027 1 583 148 58 TYR HB3 H 2.583 0.017 1 584 148 58 TYR HD1 H 6.858 0.010 1 585 148 58 TYR HD2 H 7.362 0.007 1 586 148 58 TYR HE1 H 6.897 0.020 3 587 148 58 TYR C C 179.693 0.000 1 588 148 58 TYR CA C 62.353 0.170 1 589 148 58 TYR CB C 38.842 0.256 1 590 148 58 TYR N N 121.269 0.055 1 591 149 59 TYR H H 8.830 0.009 1 592 149 59 TYR HA H 4.250 0.024 1 593 149 59 TYR HB2 H 3.232 0.009 1 594 149 59 TYR HB3 H 3.048 0.002 1 595 149 59 TYR HD1 H 6.958 0.007 1 596 149 59 TYR HD2 H 6.712 0.016 1 597 149 59 TYR HE1 H 7.009 0.000 1 598 149 59 TYR HE2 H 7.340 0.002 1 599 149 59 TYR HH H 6.936 0.017 1 600 149 59 TYR C C 176.497 0.000 1 601 149 59 TYR CA C 61.788 0.292 1 602 149 59 TYR CB C 38.459 0.217 1 603 149 59 TYR N N 119.402 0.034 1 604 150 60 ARG H H 7.646 0.006 1 605 150 60 ARG HA H 3.681 0.007 1 606 150 60 ARG HB2 H 1.941 0.014 1 607 150 60 ARG HB3 H 2.181 0.007 1 608 150 60 ARG HD2 H 3.271 0.019 1 609 150 60 ARG HD3 H 3.213 0.006 1 610 150 60 ARG HE H 7.443 0.001 1 611 150 60 ARG HG2 H 1.918 0.008 1 612 150 60 ARG HG3 H 1.672 0.013 1 613 150 60 ARG C C 179.086 0.020 1 614 150 60 ARG CA C 60.075 0.205 1 615 150 60 ARG CB C 29.957 0.204 1 616 150 60 ARG CD C 43.497 0.241 1 617 150 60 ARG CG C 28.367 0.328 1 618 150 60 ARG N N 116.787 0.050 1 619 150 60 ARG NE N 85.243 0.093 1 620 151 61 GLU H H 7.960 0.008 1 621 151 61 GLU HA H 4.081 0.018 1 622 151 61 GLU HB2 H 1.983 0.008 1 623 151 61 GLU HB3 H 2.244 0.006 1 624 151 61 GLU HG2 H 2.194 0.009 1 625 151 61 GLU HG3 H 2.406 0.030 1 626 151 61 GLU C C 177.517 0.014 1 627 151 61 GLU CA C 57.881 0.146 1 628 151 61 GLU CB C 30.152 0.174 1 629 151 61 GLU CG C 36.742 0.361 1 630 151 61 GLU N N 115.681 0.035 1 631 152 62 ASN H H 7.561 0.012 1 632 152 62 ASN HA H 4.597 0.018 1 633 152 62 ASN HB2 H 2.337 0.019 1 634 152 62 ASN HB3 H 2.273 0.015 1 635 152 62 ASN HD21 H 6.760 0.013 1 636 152 62 ASN HD22 H 6.560 0.022 1 637 152 62 ASN C C 175.389 0.041 1 638 152 62 ASN CA C 54.763 0.247 1 639 152 62 ASN CB C 41.285 0.267 1 640 152 62 ASN N N 115.337 0.082 1 641 152 62 ASN ND2 N 116.930 0.073 1 642 153 63 MET H H 7.512 0.008 1 643 153 63 MET HA H 3.686 0.009 1 644 153 63 MET HB2 H 1.710 0.010 1 645 153 63 MET HB3 H 1.892 0.012 1 646 153 63 MET HE H 1.831 0.007 1 647 153 63 MET HG2 H 2.576 0.003 1 648 153 63 MET HG3 H 2.139 0.012 1 649 153 63 MET C C 176.387 0.022 1 650 153 63 MET CA C 60.047 0.186 1 651 153 63 MET CB C 32.692 0.093 1 652 153 63 MET CE C 17.177 0.021 1 653 153 63 MET CG C 31.404 0.498 1 654 153 63 MET N N 118.894 0.053 1 655 154 64 TYR H H 7.631 0.004 1 656 154 64 TYR HA H 4.238 0.015 1 657 154 64 TYR HB2 H 3.037 0.022 1 658 154 64 TYR HB3 H 2.961 0.013 1 659 154 64 TYR HD1 H 7.085 0.007 3 660 154 64 TYR HD2 H 7.085 0.007 3 661 154 64 TYR HE1 H 6.920 0.024 1 662 154 64 TYR HE2 H 7.328 0.000 1 663 154 64 TYR C C 176.222 0.269 1 664 154 64 TYR CA C 59.450 0.196 1 665 154 64 TYR CB C 36.740 0.093 1 666 154 64 TYR CD1 C 131.373 0.000 1 667 154 64 TYR CD2 C 131.373 0.000 1 668 154 64 TYR N N 114.704 0.060 1 669 155 65 ARG H H 7.605 0.003 1 670 155 65 ARG HA H 4.043 0.023 1 671 155 65 ARG HB2 H 1.817 0.011 1 672 155 65 ARG HB3 H 1.940 0.015 1 673 155 65 ARG HD2 H 3.093 0.028 1 674 155 65 ARG HD3 H 3.212 0.009 1 675 155 65 ARG HE H 6.887 0.011 1 676 155 65 ARG HG2 H 1.285 0.026 1 677 155 65 ARG HG3 H 1.551 0.027 1 678 155 65 ARG C C 176.600 0.000 1 679 155 65 ARG CA C 56.772 0.206 1 680 155 65 ARG CB C 30.933 0.116 1 681 155 65 ARG CD C 44.447 0.318 1 682 155 65 ARG CG C 27.561 0.073 1 683 155 65 ARG N N 118.829 0.056 1 684 155 65 ARG NE N 85.686 0.017 1 685 156 66 TYR H H 7.341 0.009 1 686 156 66 TYR HA H 4.991 0.063 1 687 156 66 TYR HB2 H 3.209 0.028 1 688 156 66 TYR HB3 H 3.049 0.032 1 689 156 66 TYR HD1 H 7.041 0.019 1 690 156 66 TYR HD2 H 7.334 0.000 1 691 156 66 TYR HE1 H 7.829 0.018 1 692 156 66 TYR HE2 H 7.023 0.004 1 693 156 66 TYR C C 172.971 0.000 1 694 156 66 TYR CA C 54.053 0.172 1 695 156 66 TYR CB C 36.100 0.230 1 696 156 66 TYR N N 119.883 0.077 1 697 157 67 PRO HA H 4.414 0.021 1 698 157 67 PRO HB2 H 2.304 0.012 1 699 157 67 PRO HB3 H 1.906 0.013 1 700 157 67 PRO HD2 H 3.641 0.009 1 701 157 67 PRO HD3 H 3.829 0.011 1 702 157 67 PRO HG2 H 1.759 0.018 1 703 157 67 PRO HG3 H 2.040 0.012 1 704 157 67 PRO C C 175.091 0.000 1 705 157 67 PRO CA C 63.638 0.200 1 706 157 67 PRO CB C 32.622 0.101 1 707 157 67 PRO CD C 50.957 0.217 1 708 157 67 PRO CG C 28.023 0.191 1 709 158 68 ASN H H 8.507 0.012 1 710 158 68 ASN HA H 4.719 0.012 1 711 158 68 ASN HB2 H 2.438 0.017 1 712 158 68 ASN HB3 H 3.650 0.017 1 713 158 68 ASN HD21 H 6.870 0.003 1 714 158 68 ASN HD22 H 7.495 0.000 1 715 158 68 ASN C C 172.919 0.000 1 716 158 68 ASN CA C 52.149 0.210 1 717 158 68 ASN CB C 38.652 0.295 1 718 158 68 ASN N N 115.910 0.045 1 719 158 68 ASN ND2 N 112.182 0.027 1 720 159 69 GLN H H 7.204 0.006 1 721 159 69 GLN HA H 4.584 0.015 1 722 159 69 GLN HB2 H 2.000 0.015 1 723 159 69 GLN HB3 H 2.151 0.010 1 724 159 69 GLN HE21 H 6.779 0.008 1 725 159 69 GLN HE22 H 7.327 0.000 1 726 159 69 GLN HG2 H 2.381 0.013 2 727 159 69 GLN HG3 H 2.381 0.013 2 728 159 69 GLN C C 175.112 0.020 1 729 159 69 GLN CA C 54.425 0.182 1 730 159 69 GLN CB C 34.433 0.232 1 731 159 69 GLN CG C 33.511 0.044 1 732 159 69 GLN N N 114.228 0.070 1 733 159 69 GLN NE2 N 110.488 0.210 1 734 160 70 VAL H H 8.510 0.008 1 735 160 70 VAL HA H 4.931 0.011 1 736 160 70 VAL HB H 2.612 0.008 1 737 160 70 VAL HG1 H 0.940 0.010 1 738 160 70 VAL HG2 H 0.761 0.012 1 739 160 70 VAL C C 174.060 0.000 1 740 160 70 VAL CA C 58.943 0.180 1 741 160 70 VAL CB C 34.071 0.259 1 742 160 70 VAL CG1 C 24.098 0.157 1 743 160 70 VAL CG2 C 18.827 0.213 1 744 160 70 VAL N N 112.869 0.058 1 745 161 71 TYR H H 8.425 0.006 1 746 161 71 TYR HA H 5.588 0.017 1 747 161 71 TYR HB2 H 2.605 0.008 1 748 161 71 TYR HB3 H 2.584 0.015 1 749 161 71 TYR HD1 H 6.908 0.019 1 750 161 71 TYR HD2 H 6.679 0.100 1 751 161 71 TYR HE1 H 6.347 0.007 1 752 161 71 TYR HE2 H 6.862 0.015 1 753 161 71 TYR HH H 8.590 0.000 1 754 161 71 TYR C C 174.715 0.001 1 755 161 71 TYR CA C 57.423 0.179 1 756 161 71 TYR CB C 42.373 0.170 1 757 161 71 TYR N N 121.138 0.085 1 758 162 72 TYR H H 8.584 0.007 1 759 162 72 TYR HA H 4.871 0.011 1 760 162 72 TYR HB2 H 2.889 0.015 1 761 162 72 TYR HB3 H 2.709 0.017 1 762 162 72 TYR HD1 H 7.198 0.010 3 763 162 72 TYR HE1 H 6.501 0.013 1 764 162 72 TYR HE2 H 6.677 0.003 1 765 162 72 TYR C C 173.747 0.000 1 766 162 72 TYR CA C 56.385 0.140 1 767 162 72 TYR CB C 40.348 0.147 1 768 162 72 TYR N N 111.198 0.060 1 769 163 73 ARG H H 7.930 0.014 1 770 163 73 ARG HA H 4.633 0.016 1 771 163 73 ARG HB2 H 1.820 0.004 1 772 163 73 ARG HB3 H 1.995 0.004 1 773 163 73 ARG HD2 H 3.386 0.004 1 774 163 73 ARG HD3 H 3.003 0.002 1 775 163 73 ARG HG2 H 1.688 0.009 2 776 163 73 ARG C C 172.514 0.000 1 777 163 73 ARG CA C 54.124 0.117 1 778 163 73 ARG CB C 31.376 0.114 1 779 163 73 ARG CD C 42.436 0.035 1 780 163 73 ARG CG C 27.400 0.000 1 781 163 73 ARG N N 120.587 0.058 1 782 164 74 PRO HA H 4.598 0.009 1 783 164 74 PRO HB2 H 2.010 0.011 1 784 164 74 PRO HB3 H 2.482 0.013 1 785 164 74 PRO HD2 H 3.429 0.010 1 786 164 74 PRO HD3 H 3.674 0.009 1 787 164 74 PRO HG2 H 2.084 0.012 2 788 164 74 PRO HG3 H 2.084 0.012 2 789 164 74 PRO C C 178.517 0.000 1 790 164 74 PRO CA C 63.885 0.189 1 791 164 74 PRO CB C 33.095 0.083 1 792 164 74 PRO CD C 50.622 0.062 1 793 165 75 VAL H H 8.591 0.006 1 794 165 75 VAL HA H 4.316 0.010 1 795 165 75 VAL HB H 2.122 0.012 1 796 165 75 VAL HG1 H 0.857 0.015 1 797 165 75 VAL HG2 H 0.947 0.011 1 798 165 75 VAL C C 176.810 0.017 1 799 165 75 VAL CA C 62.743 10.006 1 800 165 75 VAL CB C 32.747 0.120 1 801 165 75 VAL CG1 C 21.763 0.001 1 802 165 75 VAL CG2 C 21.766 0.198 1 803 165 75 VAL N N 118.638 0.063 1 804 166 76 ASP H H 8.273 0.004 1 805 166 76 ASP HA H 4.603 0.014 1 806 166 76 ASP HB2 H 2.906 0.014 1 807 166 76 ASP HB3 H 2.694 0.013 1 808 166 76 ASP C C 177.122 0.000 1 809 166 76 ASP CA C 54.880 0.175 1 810 166 76 ASP CB C 40.030 0.216 1 811 166 76 ASP N N 117.419 0.061 1 812 167 77 GLN H H 8.246 0.006 1 813 167 77 GLN HA H 4.113 0.007 1 814 167 77 GLN HB2 H 1.926 0.009 1 815 167 77 GLN HB3 H 1.712 0.012 1 816 167 77 GLN HE21 H 6.777 0.000 1 817 167 77 GLN HE22 H 7.321 0.006 1 818 167 77 GLN HG2 H 2.245 0.008 1 819 167 77 GLN HG3 H 2.221 0.005 1 820 167 77 GLN C C 174.787 0.000 1 821 167 77 GLN CA C 56.017 0.172 1 822 167 77 GLN CB C 27.618 0.000 1 823 167 77 GLN CG C 34.594 0.251 1 824 167 77 GLN N N 117.512 0.029 1 825 167 77 GLN NE2 N 110.530 0.210 1 826 168 78 TYR H H 7.875 0.004 1 827 168 78 TYR HA H 4.921 0.008 1 828 168 78 TYR HB2 H 3.420 0.009 1 829 168 78 TYR HB3 H 3.023 0.009 1 830 168 78 TYR HD1 H 7.377 0.006 1 831 168 78 TYR HD2 H 7.190 0.001 1 832 168 78 TYR HE2 H 6.982 0.000 3 833 168 78 TYR C C 176.190 0.014 1 834 168 78 TYR CA C 57.296 0.159 1 835 168 78 TYR CB C 42.405 0.221 1 836 168 78 TYR N N 117.263 0.043 1 837 169 79 SER H H 9.211 0.006 1 838 169 79 SER HA H 4.547 0.010 1 839 169 79 SER HB2 H 4.012 0.013 2 840 169 79 SER HB3 H 4.012 0.013 2 841 169 79 SER C C 174.239 0.000 1 842 169 79 SER CA C 59.181 0.185 1 843 169 79 SER CB C 64.254 0.146 1 844 169 79 SER N N 115.239 0.032 1 845 170 80 ASN H H 7.548 0.010 1 846 170 80 ASN HA H 4.762 0.020 1 847 170 80 ASN HB2 H 3.232 0.008 1 848 170 80 ASN HB3 H 3.029 0.012 1 849 170 80 ASN HD21 H 6.809 0.006 1 850 170 80 ASN HD22 H 7.541 0.000 1 851 170 80 ASN C C 173.668 0.078 1 852 170 80 ASN CA C 52.392 0.120 1 853 170 80 ASN CB C 40.542 0.106 1 854 170 80 ASN N N 113.665 0.045 1 855 170 80 ASN ND2 N 112.700 0.051 1 856 171 81 GLN H H 8.621 0.005 1 857 171 81 GLN HA H 3.749 0.007 1 858 171 81 GLN HB2 H 2.342 0.000 1 859 171 81 GLN HB3 H 2.088 0.000 1 860 171 81 GLN HE21 H 6.786 0.009 1 861 171 81 GLN HE22 H 7.407 0.019 1 862 171 81 GLN HG2 H 2.487 0.018 1 863 171 81 GLN HG3 H 2.720 0.009 1 864 171 81 GLN C C 177.046 0.000 1 865 171 81 GLN CA C 59.262 0.212 1 866 171 81 GLN CB C 29.830 0.023 1 867 171 81 GLN CG C 33.993 0.272 1 868 171 81 GLN N N 119.605 0.024 1 869 171 81 GLN NE2 N 110.888 0.097 1 870 172 82 ASN H H 8.509 0.004 1 871 172 82 ASN HA H 4.232 0.010 1 872 172 82 ASN HB2 H 2.756 0.022 1 873 172 82 ASN HB3 H 2.687 0.020 1 874 172 82 ASN HD21 H 7.605 0.012 1 875 172 82 ASN HD22 H 6.933 0.013 1 876 172 82 ASN C C 178.088 0.024 1 877 172 82 ASN CA C 56.795 0.171 1 878 172 82 ASN CB C 37.757 0.191 1 879 172 82 ASN N N 117.245 0.034 1 880 172 82 ASN ND2 N 111.958 0.061 1 881 173 83 SER H H 8.410 0.005 1 882 173 83 SER HA H 4.303 0.006 1 883 173 83 SER HB2 H 4.169 0.016 1 884 173 83 SER HB3 H 4.255 0.009 1 885 173 83 SER C C 176.319 0.000 1 886 173 83 SER CA C 61.829 0.168 1 887 173 83 SER CB C 63.230 0.118 1 888 173 83 SER N N 115.627 0.063 1 889 174 84 PHE H H 7.094 0.006 1 890 174 84 PHE HA H 4.185 0.021 1 891 174 84 PHE HB2 H 2.709 0.012 1 892 174 84 PHE HB3 H 2.904 0.009 1 893 174 84 PHE HE1 H 7.188 0.005 3 894 174 84 PHE HZ H 6.688 0.014 1 895 174 84 PHE C C 177.294 0.000 1 896 174 84 PHE CA C 60.923 0.033 1 897 174 84 PHE CB C 39.406 0.533 1 898 174 84 PHE N N 123.459 0.034 1 899 175 85 VAL H H 8.897 0.006 1 900 175 85 VAL HA H 3.405 0.012 1 901 175 85 VAL HB H 2.204 0.013 1 902 175 85 VAL HG1 H 1.047 0.012 1 903 175 85 VAL HG2 H 1.066 0.019 1 904 175 85 VAL C C 176.756 0.002 1 905 175 85 VAL CA C 67.785 0.226 1 906 175 85 VAL CB C 32.334 0.099 1 907 175 85 VAL CG1 C 22.455 0.230 1 908 175 85 VAL CG2 C 25.247 0.230 1 909 175 85 VAL N N 120.269 0.050 1 910 176 86 HIS H H 8.373 0.009 1 911 176 86 HIS HA H 4.301 0.008 1 912 176 86 HIS HB2 H 3.335 0.015 2 913 176 86 HIS HB3 H 3.335 0.015 2 914 176 86 HIS HD1 H 7.352 0.000 1 915 176 86 HIS HD2 H 8.171 0.013 1 916 176 86 HIS HE1 H 7.202 0.000 1 917 176 86 HIS HE2 H 8.118 0.000 1 918 176 86 HIS C C 177.016 0.007 1 919 176 86 HIS CA C 59.621 0.225 1 920 176 86 HIS CB C 28.729 0.233 1 921 176 86 HIS N N 116.628 0.055 1 922 177 87 ASP H H 7.359 0.009 1 923 177 87 ASP HA H 4.584 0.013 1 924 177 87 ASP HB2 H 2.990 0.012 1 925 177 87 ASP HB3 H 2.957 0.005 1 926 177 87 ASP C C 175.865 0.000 1 927 177 87 ASP CA C 57.397 0.190 1 928 177 87 ASP CB C 41.618 0.229 1 929 177 87 ASP N N 118.542 0.058 1 930 178 88 CYS H H 8.135 0.010 1 931 178 88 CYS HA H 4.689 0.012 1 932 178 88 CYS HB2 H 2.845 0.011 1 933 178 88 CYS HB3 H 3.192 0.019 1 934 178 88 CYS C C 177.494 0.000 1 935 178 88 CYS CA C 58.992 0.196 1 936 178 88 CYS CB C 41.445 0.198 1 937 178 88 CYS N N 119.359 0.080 1 938 179 89 VAL H H 9.220 0.011 1 939 179 89 VAL HA H 3.681 0.013 1 940 179 89 VAL HB H 2.137 0.013 1 941 179 89 VAL HG1 H 1.057 0.012 1 942 179 89 VAL HG2 H 0.953 0.010 1 943 179 89 VAL C C 177.120 0.003 1 944 179 89 VAL CA C 66.418 0.271 1 945 179 89 VAL CB C 32.268 0.178 1 946 179 89 VAL CG1 C 22.473 0.175 1 947 179 89 VAL CG2 C 21.532 0.209 1 948 179 89 VAL N N 124.182 0.076 1 949 180 90 ASN H H 7.628 0.005 1 950 180 90 ASN HA H 4.309 0.011 1 951 180 90 ASN HB2 H 2.854 0.013 1 952 180 90 ASN HB3 H 2.809 0.016 1 953 180 90 ASN HD21 H 6.763 0.007 1 954 180 90 ASN HD22 H 7.643 0.006 1 955 180 90 ASN C C 178.377 0.022 1 956 180 90 ASN CA C 56.915 0.163 1 957 180 90 ASN CB C 39.178 0.195 1 958 180 90 ASN N N 116.704 0.034 1 959 180 90 ASN ND2 N 111.748 0.277 1 960 181 91 ILE H H 8.660 0.006 1 961 181 91 ILE HA H 3.766 0.015 1 962 181 91 ILE HB H 1.622 0.014 1 963 181 91 ILE HD1 H 0.413 0.024 1 964 181 91 ILE HG12 H 0.858 0.023 1 965 181 91 ILE HG13 H 0.997 0.016 1 966 181 91 ILE HG2 H 0.252 0.011 1 967 181 91 ILE CA C 62.315 0.208 1 968 181 91 ILE CB C 36.759 0.214 1 969 181 91 ILE CD1 C 11.208 0.278 1 970 181 91 ILE CG1 C 27.773 0.281 1 971 181 91 ILE CG2 C 18.656 0.250 1 972 181 91 ILE N N 118.113 0.044 1 973 182 92 THR H H 8.099 0.009 1 974 182 92 THR HA H 4.086 0.018 1 975 182 92 THR HB H 4.504 0.017 1 976 182 92 THR HG2 H 1.487 0.011 1 977 182 92 THR C C 177.590 0.000 1 978 182 92 THR CA C 68.944 0.218 1 979 182 92 THR CB C 68.894 0.122 1 980 182 92 THR CG2 C 22.655 0.165 1 981 182 92 THR N N 118.078 0.073 1 982 183 93 VAL H H 8.801 0.005 1 983 183 93 VAL HA H 3.614 0.014 1 984 183 93 VAL HB H 2.296 0.016 1 985 183 93 VAL HG1 H 1.038 0.014 1 986 183 93 VAL HG2 H 0.969 0.013 1 987 183 93 VAL C C 178.811 0.021 1 988 183 93 VAL CA C 67.965 0.224 1 989 183 93 VAL CB C 31.814 0.281 1 990 183 93 VAL CG1 C 24.110 0.210 1 991 183 93 VAL CG2 C 21.099 0.019 1 992 183 93 VAL N N 120.913 0.028 1 993 184 94 LYS H H 7.894 0.006 1 994 184 94 LYS HA H 4.068 0.011 1 995 184 94 LYS HB2 H 1.936 0.011 1 996 184 94 LYS HB3 H 1.964 0.011 1 997 184 94 LYS HD2 H 1.654 0.014 2 998 184 94 LYS HD3 H 1.654 0.014 2 999 184 94 LYS HE2 H 2.928 0.015 2 1000 184 94 LYS HE3 H 2.928 0.015 2 1001 184 94 LYS HG2 H 1.508 0.018 1 1002 184 94 LYS HG3 H 1.423 0.012 1 1003 184 94 LYS C C 178.963 0.044 1 1004 184 94 LYS CA C 55.316 12.128 1 1005 184 94 LYS CB C 32.559 0.070 1 1006 184 94 LYS CD C 29.439 0.084 1 1007 184 94 LYS CE C 42.123 0.279 1 1008 184 94 LYS CG C 25.478 0.204 1 1009 184 94 LYS N N 121.556 0.034 1 1010 185 95 GLN H H 8.400 0.018 1 1011 185 95 GLN HA H 4.024 0.019 1 1012 185 95 GLN HB2 H 2.155 0.014 1 1013 185 95 GLN HB3 H 2.155 0.014 1 1014 185 95 GLN HE21 H 7.345 0.018 1 1015 185 95 GLN HE22 H 6.790 0.012 1 1016 185 95 GLN HG2 H 2.354 0.015 1 1017 185 95 GLN HG3 H 2.503 0.010 1 1018 185 95 GLN C C 178.288 0.017 1 1019 185 95 GLN CA C 57.881 0.178 1 1020 185 95 GLN CB C 28.597 0.160 1 1021 185 95 GLN CG C 34.285 0.000 1 1022 185 95 GLN N N 116.814 0.051 1 1023 185 95 GLN NE2 N 110.239 0.043 1 1024 186 96 HIS H H 8.200 0.006 1 1025 186 96 HIS HA H 4.581 0.019 1 1026 186 96 HIS HB2 H 3.145 0.006 1 1027 186 96 HIS HB3 H 3.381 0.022 1 1028 186 96 HIS HD2 H 6.769 0.000 1 1029 186 96 HIS C C 177.421 0.000 1 1030 186 96 HIS CA C 59.814 0.565 1 1031 186 96 HIS CB C 32.025 0.491 1 1032 186 96 HIS N N 118.096 0.043 1 1033 187 97 THR H H 8.186 0.020 1 1034 187 97 THR HA H 4.181 0.010 1 1035 187 97 THR HB H 4.271 0.022 1 1036 187 97 THR HG2 H 1.302 0.013 1 1037 187 97 THR C C 176.079 0.000 1 1038 187 97 THR CA C 65.151 0.234 1 1039 187 97 THR CB C 69.271 0.205 1 1040 187 97 THR CG2 C 22.099 0.112 1 1041 187 97 THR N N 113.230 0.054 1 1042 188 98 VAL H H 8.017 0.009 1 1043 188 98 VAL HA H 4.037 0.024 1 1044 188 98 VAL HB H 2.214 0.011 1 1045 188 98 VAL HG1 H 1.221 0.002 1 1046 188 98 VAL HG2 H 0.749 0.007 1 1047 188 98 VAL C C 177.971 0.011 1 1048 188 98 VAL CA C 65.418 0.178 1 1049 188 98 VAL CB C 32.204 0.113 1 1050 188 98 VAL CG1 C 21.803 0.015 1 1051 188 98 VAL CG2 C 23.729 0.024 1 1052 188 98 VAL N N 122.358 0.059 1 1053 189 99 THR H H 8.133 0.010 1 1054 189 99 THR HA H 4.198 0.015 1 1055 189 99 THR HB H 4.288 0.073 1 1056 189 99 THR HG2 H 1.293 0.015 1 1057 189 99 THR C C 176.118 0.002 1 1058 189 99 THR CA C 64.549 0.069 1 1059 189 99 THR CB C 69.133 0.114 1 1060 189 99 THR CG2 C 22.165 0.084 1 1061 189 99 THR N N 115.646 0.056 1 1062 190 100 THR H H 7.993 0.002 1 1063 190 100 THR HA H 4.149 0.022 1 1064 190 100 THR HB H 4.443 0.008 1 1065 190 100 THR HG2 H 0.934 0.027 1 1066 190 100 THR C C 176.291 0.013 1 1067 190 100 THR CA C 64.440 0.005 1 1068 190 100 THR CB C 69.041 0.105 1 1069 190 100 THR CG2 C 21.984 0.000 1 1070 190 100 THR N N 115.122 0.025 1 1071 191 101 THR H H 8.161 0.005 1 1072 191 101 THR HA H 4.395 0.015 1 1073 191 101 THR HB H 4.366 0.012 1 1074 191 101 THR HG2 H 1.332 0.017 1 1075 191 101 THR C C 177.202 0.021 1 1076 191 101 THR CA C 64.853 0.301 1 1077 191 101 THR CB C 69.183 0.207 1 1078 191 101 THR CG2 C 21.947 0.136 1 1079 191 101 THR N N 116.681 0.092 1 1080 192 102 THR H H 7.976 0.008 1 1081 192 102 THR HA H 4.216 0.015 1 1082 192 102 THR HB H 4.307 0.040 1 1083 192 102 THR HG2 H 1.304 0.019 1 1084 192 102 THR C C 175.139 0.039 1 1085 192 102 THR CA C 64.292 0.117 1 1086 192 102 THR CB C 69.143 0.217 1 1087 192 102 THR CG2 C 22.159 0.025 1 1088 192 102 THR N N 116.471 0.028 1 1089 193 103 LYS H H 7.753 0.030 1 1090 193 103 LYS HA H 4.373 0.023 1 1091 193 103 LYS HB2 H 2.002 0.012 1 1092 193 103 LYS HB3 H 1.860 0.019 1 1093 193 103 LYS HD2 H 1.698 0.020 2 1094 193 103 LYS HD3 H 1.698 0.020 2 1095 193 103 LYS HE2 H 2.945 0.030 2 1096 193 103 LYS HE3 H 2.945 0.030 2 1097 193 103 LYS HG2 H 1.501 0.013 1 1098 193 103 LYS HG3 H 1.646 0.001 1 1099 193 103 LYS C C 176.810 0.008 1 1100 193 103 LYS CA C 56.630 0.124 1 1101 193 103 LYS CB C 32.867 0.153 1 1102 193 103 LYS CD C 29.032 0.249 1 1103 193 103 LYS CE C 42.217 0.200 1 1104 193 103 LYS CG C 25.353 0.303 1 1105 193 103 LYS N N 120.731 0.109 1 1106 194 104 GLY H H 8.045 0.015 1 1107 194 104 GLY HA2 H 4.106 0.008 1 1108 194 104 GLY HA3 H 3.834 0.006 1 1109 194 104 GLY C C 174.230 0.026 1 1110 194 104 GLY CA C 45.593 0.027 1 1111 194 104 GLY N N 108.603 0.099 1 1112 195 105 GLU H H 7.675 0.021 1 1113 195 105 GLU HA H 4.289 0.010 1 1114 195 105 GLU HB2 H 1.644 0.018 1 1115 195 105 GLU HB3 H 1.619 0.010 1 1116 195 105 GLU HG2 H 2.071 0.019 1 1117 195 105 GLU HG3 H 1.952 0.006 1 1118 195 105 GLU C C 175.136 0.036 1 1119 195 105 GLU CA C 55.841 0.174 1 1120 195 105 GLU CB C 31.328 0.293 1 1121 195 105 GLU CG C 36.207 0.278 1 1122 195 105 GLU N N 120.091 0.025 1 1123 196 106 ASN H H 8.451 0.004 1 1124 196 106 ASN HA H 4.713 0.013 1 1125 196 106 ASN HB2 H 2.659 0.011 1 1126 196 106 ASN HB3 H 2.616 0.011 1 1127 196 106 ASN HD21 H 7.540 0.000 1 1128 196 106 ASN HD22 H 6.817 0.000 1 1129 196 106 ASN C C 174.128 0.052 1 1130 196 106 ASN CA C 52.966 0.114 1 1131 196 106 ASN CB C 41.009 0.384 1 1132 196 106 ASN N N 119.609 0.095 1 1133 196 106 ASN ND2 N 112.658 0.033 1 1134 197 107 PHE H H 8.583 0.007 1 1135 197 107 PHE HA H 5.270 0.071 1 1136 197 107 PHE HB2 H 3.202 0.008 1 1137 197 107 PHE HB3 H 2.967 0.015 1 1138 197 107 PHE HD1 H 7.361 0.012 1 1139 197 107 PHE HD2 H 7.491 0.010 1 1140 197 107 PHE HE1 H 6.913 0.007 1 1141 197 107 PHE HE2 H 6.647 0.014 1 1142 197 107 PHE C C 176.615 0.022 1 1143 197 107 PHE CA C 56.875 0.165 1 1144 197 107 PHE CB C 40.804 0.261 1 1145 197 107 PHE N N 121.906 0.036 1 1146 198 108 THR H H 9.577 0.012 1 1147 198 108 THR HA H 4.642 0.014 1 1148 198 108 THR HB H 4.828 0.020 1 1149 198 108 THR HG2 H 1.430 0.009 1 1150 198 108 THR C C 175.395 0.000 1 1151 198 108 THR CA C 60.697 0.232 1 1152 198 108 THR CB C 72.275 0.191 1 1153 198 108 THR CG2 C 21.938 0.226 1 1154 198 108 THR N N 115.859 0.047 1 1155 199 109 GLU H H 9.070 0.007 1 1156 199 109 GLU HA H 4.053 0.009 1 1157 199 109 GLU HB2 H 2.100 0.011 2 1158 199 109 GLU HB3 H 2.100 0.011 2 1159 199 109 GLU HG2 H 2.392 0.008 1 1160 199 109 GLU HG3 H 2.330 0.020 1 1161 199 109 GLU C C 179.051 0.007 1 1162 199 109 GLU CA C 60.252 0.218 1 1163 199 109 GLU CB C 29.316 0.140 1 1164 199 109 GLU CG C 36.701 0.255 1 1165 199 109 GLU N N 119.724 0.026 1 1166 200 110 THR H H 7.914 0.005 1 1167 200 110 THR HA H 3.798 0.014 1 1168 200 110 THR HB H 3.717 0.014 1 1169 200 110 THR HG2 H 0.638 0.016 1 1170 200 110 THR C C 175.282 0.000 1 1171 200 110 THR CA C 66.956 0.182 1 1172 200 110 THR CB C 68.846 0.153 1 1173 200 110 THR CG2 C 21.421 0.047 1 1174 200 110 THR N N 116.331 0.022 1 1175 201 111 ASP H H 7.481 0.004 1 1176 201 111 ASP HA H 4.532 0.015 1 1177 201 111 ASP HB2 H 3.391 0.013 1 1178 201 111 ASP HB3 H 2.557 0.040 1 1179 201 111 ASP CA C 58.587 0.156 1 1180 201 111 ASP CB C 42.274 0.247 1 1181 201 111 ASP N N 119.524 0.049 1 1182 202 112 ILE H H 8.068 0.010 1 1183 202 112 ILE HA H 3.434 0.017 1 1184 202 112 ILE HB H 1.954 0.012 1 1185 202 112 ILE HD1 H 0.722 0.012 1 1186 202 112 ILE HG12 H 1.552 0.016 1 1187 202 112 ILE HG13 H 1.296 0.015 1 1188 202 112 ILE HG2 H 0.842 0.009 1 1189 202 112 ILE C C 177.356 0.006 1 1190 202 112 ILE CA C 64.771 0.226 1 1191 202 112 ILE CB C 37.122 0.234 1 1192 202 112 ILE CD1 C 11.564 0.318 1 1193 202 112 ILE CG1 C 28.767 0.294 1 1194 202 112 ILE CG2 C 17.558 0.161 1 1195 202 112 ILE N N 118.956 0.060 1 1196 203 113 LYS H H 7.742 0.013 1 1197 203 113 LYS HA H 4.059 0.015 1 1198 203 113 LYS HB2 H 1.881 0.017 1 1199 203 113 LYS HB3 H 1.630 0.010 1 1200 203 113 LYS HD2 H 1.663 0.006 1 1201 203 113 LYS HD3 H 1.663 0.006 1 1202 203 113 LYS HE2 H 2.916 0.012 1 1203 203 113 LYS HE3 H 2.916 0.012 1 1204 203 113 LYS HG2 H 1.571 0.012 1 1205 203 113 LYS HG3 H 1.413 0.009 1 1206 203 113 LYS C C 180.165 0.000 1 1207 203 113 LYS CA C 59.612 0.168 1 1208 203 113 LYS CB C 32.581 0.131 1 1209 203 113 LYS CD C 29.421 0.029 1 1210 203 113 LYS CE C 41.710 0.000 1 1211 203 113 LYS CG C 25.575 0.254 1 1212 203 113 LYS N N 119.559 0.051 1 1213 204 114 ILE H H 7.979 0.006 1 1214 204 114 ILE HA H 3.626 0.012 1 1215 204 114 ILE HB H 1.933 0.012 1 1216 204 114 ILE HD1 H 0.646 0.016 1 1217 204 114 ILE HG12 H 1.563 0.011 1 1218 204 114 ILE HG13 H 0.819 0.018 1 1219 204 114 ILE HG2 H 0.802 0.013 1 1220 204 114 ILE C C 177.724 0.000 1 1221 204 114 ILE CA C 65.022 0.223 1 1222 204 114 ILE CB C 37.736 0.215 1 1223 204 114 ILE CD1 C 13.901 0.276 1 1224 204 114 ILE CG1 C 29.018 0.173 1 1225 204 114 ILE CG2 C 18.934 0.275 1 1226 204 114 ILE N N 119.847 0.055 1 1227 205 115 MET H H 8.817 0.030 1 1228 205 115 MET HA H 3.446 0.015 1 1229 205 115 MET HB2 H 1.979 0.019 1 1230 205 115 MET HB3 H 1.666 0.014 1 1231 205 115 MET HE H 1.494 0.009 1 1232 205 115 MET HG2 H 2.074 0.018 1 1233 205 115 MET HG3 H 2.005 0.010 1 1234 205 115 MET C C 177.811 0.013 1 1235 205 115 MET CA C 60.402 0.257 1 1236 205 115 MET CB C 34.092 0.307 1 1237 205 115 MET CE C 16.601 0.028 1 1238 205 115 MET CG C 32.434 0.156 1 1239 205 115 MET N N 119.264 0.038 1 1240 206 116 GLU H H 8.526 0.008 1 1241 206 116 GLU HA H 3.635 0.009 1 1242 206 116 GLU HB2 H 2.208 0.013 1 1243 206 116 GLU HB3 H 1.964 0.005 1 1244 206 116 GLU HG2 H 2.568 0.018 1 1245 206 116 GLU HG3 H 2.124 0.008 1 1246 206 116 GLU C C 178.321 0.000 1 1247 206 116 GLU CA C 60.849 0.235 1 1248 206 116 GLU CB C 29.061 0.100 1 1249 206 116 GLU CG C 37.266 0.366 1 1250 206 116 GLU N N 117.203 0.057 1 1251 207 117 ARG H H 7.215 0.008 1 1252 207 117 ARG HA H 4.145 0.023 1 1253 207 117 ARG HB2 H 1.928 0.010 1 1254 207 117 ARG HB3 H 1.871 0.007 1 1255 207 117 ARG HD2 H 3.271 0.037 1 1256 207 117 ARG HD3 H 3.188 0.012 1 1257 207 117 ARG HE H 7.317 0.009 1 1258 207 117 ARG HG2 H 1.631 0.008 1 1259 207 117 ARG HG3 H 1.804 0.025 1 1260 207 117 ARG C C 179.216 0.004 1 1261 207 117 ARG CA C 58.865 0.228 1 1262 207 117 ARG CB C 30.618 0.289 1 1263 207 117 ARG CD C 43.890 0.142 1 1264 207 117 ARG CG C 27.617 0.104 1 1265 207 117 ARG N N 118.060 0.064 1 1266 207 117 ARG NE N 87.890 8.710 1 1267 208 118 VAL H H 8.270 0.008 1 1268 208 118 VAL HA H 3.518 0.021 1 1269 208 118 VAL HB H 2.110 0.009 1 1270 208 118 VAL HG1 H 1.110 0.016 1 1271 208 118 VAL HG2 H 1.041 0.023 1 1272 208 118 VAL C C 177.781 0.010 1 1273 208 118 VAL CA C 66.515 0.224 1 1274 208 118 VAL CB C 32.726 0.197 1 1275 208 118 VAL CG1 C 21.663 0.213 1 1276 208 118 VAL CG2 C 23.917 0.140 1 1277 208 118 VAL N N 120.393 0.071 1 1278 209 119 VAL H H 9.002 0.012 1 1279 209 119 VAL HA H 3.659 0.011 1 1280 209 119 VAL HB H 2.180 0.014 1 1281 209 119 VAL HG1 H 0.951 0.017 1 1282 209 119 VAL HG2 H 1.223 0.012 1 1283 209 119 VAL C C 177.464 0.000 1 1284 209 119 VAL CA C 66.361 0.210 1 1285 209 119 VAL CB C 31.551 0.239 1 1286 209 119 VAL CG1 C 24.702 0.244 1 1287 209 119 VAL CG2 C 25.387 0.077 1 1288 209 119 VAL N N 119.272 0.040 1 1289 210 120 GLU H H 8.144 0.009 1 1290 210 120 GLU HA H 3.557 0.009 1 1291 210 120 GLU HB2 H 2.162 0.006 2 1292 210 120 GLU HG2 H 2.138 0.006 1 1293 210 120 GLU HG3 H 2.333 0.006 1 1294 210 120 GLU C C 177.572 0.000 1 1295 210 120 GLU CA C 61.157 0.173 1 1296 210 120 GLU CB C 29.579 0.183 1 1297 210 120 GLU CG C 36.545 0.133 1 1298 210 120 GLU N N 121.272 0.054 1 1299 211 121 GLN H H 7.205 0.011 1 1300 211 121 GLN HA H 3.959 0.014 1 1301 211 121 GLN HB2 H 2.176 0.007 1 1302 211 121 GLN HB3 H 2.224 0.007 1 1303 211 121 GLN HE21 H 7.577 0.001 1 1304 211 121 GLN HE22 H 6.860 0.008 1 1305 211 121 GLN HG2 H 2.489 0.013 1 1306 211 121 GLN HG3 H 2.408 0.019 1 1307 211 121 GLN C C 178.878 0.000 1 1308 211 121 GLN CA C 58.872 0.277 1 1309 211 121 GLN CB C 28.111 0.202 1 1310 211 121 GLN CG C 34.137 0.145 1 1311 211 121 GLN N N 115.038 0.042 1 1312 211 121 GLN NE2 N 111.433 0.010 1 1313 212 122 MET H H 7.970 0.010 1 1314 212 122 MET HA H 4.107 0.019 1 1315 212 122 MET HB2 H 2.184 0.012 1 1316 212 122 MET HB3 H 2.324 0.014 1 1317 212 122 MET HE H 2.180 0.007 1 1318 212 122 MET HG2 H 2.745 0.015 1 1319 212 122 MET HG3 H 2.494 0.012 1 1320 212 122 MET C C 178.384 0.002 1 1321 212 122 MET CA C 60.147 0.214 1 1322 212 122 MET CB C 36.079 0.888 1 1323 212 122 MET CE C 18.019 0.023 1 1324 212 122 MET CG C 32.745 0.101 1 1325 212 122 MET N N 119.414 0.040 1 1326 213 123 CYS H H 9.244 0.007 1 1327 213 123 CYS HA H 4.370 0.017 1 1328 213 123 CYS HB2 H 3.550 0.011 1 1329 213 123 CYS HB3 H 2.863 0.019 1 1330 213 123 CYS C C 176.857 0.000 1 1331 213 123 CYS CA C 60.243 0.237 1 1332 213 123 CYS CB C 42.406 0.262 1 1333 213 123 CYS N N 119.042 0.070 1 1334 214 124 VAL H H 8.380 0.008 1 1335 214 124 VAL HA H 3.438 0.015 1 1336 214 124 VAL HB H 2.302 0.017 1 1337 214 124 VAL HG1 H 0.938 0.010 1 1338 214 124 VAL HG2 H 1.116 0.014 1 1339 214 124 VAL CA C 67.800 0.216 1 1340 214 124 VAL CB C 32.084 0.070 1 1341 214 124 VAL CG1 C 21.427 0.173 1 1342 214 124 VAL CG2 C 24.000 0.223 1 1343 214 124 VAL N N 123.330 0.041 1 1344 215 125 THR H H 8.092 0.008 1 1345 215 125 THR HA H 3.886 0.009 1 1346 215 125 THR HB H 4.307 0.010 1 1347 215 125 THR HG2 H 1.240 0.011 1 1348 215 125 THR C C 176.495 0.000 1 1349 215 125 THR CA C 67.289 0.198 1 1350 215 125 THR CB C 68.571 0.202 1 1351 215 125 THR CG2 C 22.448 0.172 1 1352 215 125 THR N N 118.320 0.102 1 1353 216 126 GLN H H 8.745 0.011 1 1354 216 126 GLN HA H 3.682 0.018 1 1355 216 126 GLN HB2 H 2.324 0.009 2 1356 216 126 GLN HG2 H 1.653 0.020 2 1357 216 126 GLN C C 177.680 0.002 1 1358 216 126 GLN CA C 59.039 0.220 1 1359 216 126 GLN CB C 28.602 0.140 1 1360 216 126 GLN CG C 33.385 0.000 1 1361 216 126 GLN N N 122.543 0.057 1 1362 217 127 TYR H H 8.505 0.006 1 1363 217 127 TYR HA H 2.940 0.012 1 1364 217 127 TYR HB2 H 2.567 0.007 1 1365 217 127 TYR HB3 H 2.115 0.016 1 1366 217 127 TYR HD1 H 6.199 0.069 3 1367 217 127 TYR HE1 H 7.139 0.004 1 1368 217 127 TYR HE2 H 8.287 0.000 1 1369 217 127 TYR C C 178.468 0.000 1 1370 217 127 TYR CA C 62.388 0.189 1 1371 217 127 TYR CB C 37.413 0.095 1 1372 217 127 TYR N N 120.064 0.033 1 1373 218 128 GLN H H 8.346 0.030 1 1374 218 128 GLN HA H 3.747 0.013 1 1375 218 128 GLN HB2 H 2.337 0.006 1 1376 218 128 GLN HB3 H 2.088 0.006 1 1377 218 128 GLN HG2 H 2.723 0.010 1 1378 218 128 GLN HG3 H 2.480 0.016 1 1379 218 128 GLN CA C 59.280 0.214 1 1380 218 128 GLN CB C 27.933 0.088 1 1381 218 128 GLN CG C 34.058 0.228 1 1382 218 128 GLN N N 120.275 0.368 1 1383 219 129 GLN H H 8.268 0.071 1 1384 219 129 GLN HA H 4.004 0.011 1 1385 219 129 GLN HB2 H 2.098 0.013 1 1386 219 129 GLN HB3 H 2.040 0.000 1 1387 219 129 GLN HG2 H 2.346 0.016 1 1388 219 129 GLN HG3 H 2.448 0.028 1 1389 219 129 GLN C C 179.608 0.013 1 1390 219 129 GLN CA C 59.144 0.243 1 1391 219 129 GLN CB C 28.913 0.188 1 1392 219 129 GLN CG C 34.290 0.166 1 1393 219 129 GLN N N 119.006 0.053 1 1394 220 130 GLU H H 8.504 0.007 1 1395 220 130 GLU HA H 4.087 0.016 1 1396 220 130 GLU HB2 H 2.172 0.010 1 1397 220 130 GLU HB3 H 1.887 0.012 1 1398 220 130 GLU HG2 H 2.190 0.009 1 1399 220 130 GLU HG3 H 2.411 0.013 1 1400 220 130 GLU C C 179.687 0.046 1 1401 220 130 GLU CA C 58.356 0.182 1 1402 220 130 GLU CB C 30.593 0.307 1 1403 220 130 GLU CG C 37.105 0.087 1 1404 220 130 GLU N N 118.879 0.042 1 1405 221 131 SER H H 8.449 0.007 1 1406 221 131 SER HA H 3.968 0.011 1 1407 221 131 SER HB2 H 3.574 0.015 1 1408 221 131 SER HB3 H 3.367 0.007 1 1409 221 131 SER C C 176.632 0.001 1 1410 221 131 SER CA C 61.768 0.205 1 1411 221 131 SER CB C 62.394 0.213 1 1412 221 131 SER N N 116.762 0.048 1 1413 222 132 GLN H H 7.828 0.006 1 1414 222 132 GLN HA H 4.174 0.005 1 1415 222 132 GLN HB2 H 2.147 0.006 2 1416 222 132 GLN HE21 H 7.431 0.001 1 1417 222 132 GLN HE22 H 6.789 0.016 1 1418 222 132 GLN HG2 H 2.483 0.010 1 1419 222 132 GLN HG3 H 2.432 0.009 1 1420 222 132 GLN C C 178.058 0.006 1 1421 222 132 GLN CA C 58.719 0.181 1 1422 222 132 GLN CB C 28.381 0.174 1 1423 222 132 GLN CG C 34.107 0.165 1 1424 222 132 GLN N N 122.383 0.034 1 1425 222 132 GLN NE2 N 110.795 0.108 1 1426 223 133 ALA H H 7.842 0.009 1 1427 223 133 ALA HA H 4.193 0.011 1 1428 223 133 ALA HB H 1.504 0.015 1 1429 223 133 ALA C C 180.081 0.049 1 1430 223 133 ALA CA C 55.095 0.178 1 1431 223 133 ALA CB C 18.403 0.173 1 1432 223 133 ALA N N 122.285 0.043 1 1433 224 134 ALA H H 8.004 0.009 1 1434 224 134 ALA HA H 4.067 0.014 1 1435 224 134 ALA HB H 1.455 0.012 1 1436 224 134 ALA C C 180.264 0.000 1 1437 224 134 ALA CA C 55.200 0.161 1 1438 224 134 ALA CB C 18.401 0.166 1 1439 224 134 ALA N N 120.813 0.026 1 1440 225 135 TYR H H 7.969 0.002 1 1441 225 135 TYR HA H 4.325 0.013 1 1442 225 135 TYR HB2 H 3.197 0.012 1 1443 225 135 TYR HB3 H 3.174 0.010 1 1444 225 135 TYR HD1 H 7.128 0.011 3 1445 225 135 TYR C C 177.633 0.000 1 1446 225 135 TYR CA C 60.709 0.209 1 1447 225 135 TYR CB C 38.235 0.171 1 1448 225 135 TYR CD1 C 128.978 0.000 1 1449 225 135 TYR CD2 C 128.978 0.000 1 1450 225 135 TYR N N 120.680 0.018 1 1451 226 136 GLN H H 8.107 0.006 1 1452 226 136 GLN HA H 3.922 0.014 1 1453 226 136 GLN HB2 H 2.174 0.006 1 1454 226 136 GLN HB3 H 2.174 0.006 1 1455 226 136 GLN HE21 H 7.577 0.002 1 1456 226 136 GLN HE22 H 6.868 0.000 1 1457 226 136 GLN HG2 H 2.502 0.014 2 1458 226 136 GLN C C 178.660 0.002 1 1459 226 136 GLN CA C 58.486 0.141 1 1460 226 136 GLN CB C 28.412 0.269 1 1461 226 136 GLN CG C 33.930 0.256 1 1462 226 136 GLN N N 118.465 0.038 1 1463 226 136 GLN NE2 N 111.469 0.172 1 1464 227 137 ARG H H 8.070 0.007 1 1465 227 137 ARG HA H 4.116 0.011 1 1466 227 137 ARG HB2 H 1.950 0.007 1 1467 227 137 ARG HB3 H 1.858 0.026 1 1468 227 137 ARG HD2 H 3.288 0.021 1 1469 227 137 ARG HD3 H 3.154 0.024 1 1470 227 137 ARG HE H 7.302 0.039 1 1471 227 137 ARG HG2 H 1.616 0.011 1 1472 227 137 ARG HG3 H 1.825 0.013 1 1473 227 137 ARG C C 178.443 0.000 1 1474 227 137 ARG CA C 58.934 0.159 1 1475 227 137 ARG CB C 30.582 0.154 1 1476 227 137 ARG CD C 43.721 0.217 1 1477 227 137 ARG CG C 28.048 0.379 1 1478 227 137 ARG N N 119.037 0.063 1 1479 227 137 ARG NE N 87.857 7.873 1 1480 228 138 ALA H H 7.732 0.003 1 1481 228 138 ALA HA H 4.486 1.027 1 1482 228 138 ALA HB H 1.447 0.007 1 1483 228 138 ALA C C 179.569 0.024 1 1484 228 138 ALA CA C 54.266 0.144 1 1485 228 138 ALA CB C 18.400 0.177 1 1486 228 138 ALA N N 122.057 0.028 1 stop_ save_