data_6565 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C and 15N resonances of barnacle cement protein Mrcp-20k ; _BMRB_accession_number 6565 _BMRB_flat_file_name bmr6565.str _Entry_type original _Submission_date 2005-03-22 _Accession_date 2005-03-23 _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 Suzuki Rintaro . . 2 Mori Youichi . . 3 Kamino Kei . . 4 Yamazaki Toshimasa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 838 "13C chemical shifts" 619 "15N chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-09-01 original author . stop_ _Original_release_date 2005-09-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Assignment of the Barnacle Cement Protein Mrcp-20k' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16132826 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Suzuki Rintaro . . 2 Mori Youichi . . 3 Kamino Kei . . 4 Yamazaki Toshimasa . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 257 _Page_last 257 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mrcp20k monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Mrcp20k $Mrcp20k stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mrcp20k _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mrcp20k _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Cement protein' stop_ _Details ; Hyperfine shifted 1H signals in a range of 55-75 ppm are oberved in 1D 1H spectra of Mrcp20k suggesting the existence of paramagnetic metal atom(s) that is not specified. ; ############################## # Polymer residue sequence # ############################## _Residue_count 186 _Mol_residue_sequence ; AMAHEEDGVCNSNAPCYHCD ANGENCSCNCELFDCEAKKP DGSYAHPCRRCDANNICKCS CTAIPCNEDHPCHHCHEEDD GDTHCHCSCEHSHDHHDDDT HGECTKKAPCWRCEYNADLK HDVCGCECSKLPCNDEHPCY RKEGGVVSCDCKTITCNEDH PCYHSYEEDGVTKSDCDCEH SPGPSE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 17 ALA 2 18 MET 3 19 ALA 4 20 HIS 5 21 GLU 6 22 GLU 7 23 ASP 8 24 GLY 9 25 VAL 10 26 CYS 11 27 ASN 12 28 SER 13 29 ASN 14 30 ALA 15 31 PRO 16 32 CYS 17 33 TYR 18 34 HIS 19 35 CYS 20 36 ASP 21 37 ALA 22 38 ASN 23 39 GLY 24 40 GLU 25 41 ASN 26 42 CYS 27 43 SER 28 44 CYS 29 45 ASN 30 46 CYS 31 47 GLU 32 48 LEU 33 49 PHE 34 50 ASP 35 51 CYS 36 52 GLU 37 53 ALA 38 54 LYS 39 55 LYS 40 56 PRO 41 57 ASP 42 58 GLY 43 59 SER 44 60 TYR 45 61 ALA 46 62 HIS 47 63 PRO 48 64 CYS 49 65 ARG 50 66 ARG 51 67 CYS 52 68 ASP 53 69 ALA 54 70 ASN 55 71 ASN 56 72 ILE 57 73 CYS 58 74 LYS 59 75 CYS 60 76 SER 61 77 CYS 62 78 THR 63 79 ALA 64 80 ILE 65 81 PRO 66 82 CYS 67 83 ASN 68 84 GLU 69 85 ASP 70 86 HIS 71 87 PRO 72 88 CYS 73 89 HIS 74 90 HIS 75 91 CYS 76 92 HIS 77 93 GLU 78 94 GLU 79 95 ASP 80 96 ASP 81 97 GLY 82 98 ASP 83 99 THR 84 100 HIS 85 101 CYS 86 102 HIS 87 103 CYS 88 104 SER 89 105 CYS 90 106 GLU 91 107 HIS 92 108 SER 93 109 HIS 94 110 ASP 95 111 HIS 96 112 HIS 97 113 ASP 98 114 ASP 99 115 ASP 100 116 THR 101 117 HIS 102 118 GLY 103 119 GLU 104 120 CYS 105 121 THR 106 122 LYS 107 123 LYS 108 124 ALA 109 125 PRO 110 126 CYS 111 127 TRP 112 128 ARG 113 129 CYS 114 130 GLU 115 131 TYR 116 132 ASN 117 133 ALA 118 134 ASP 119 135 LEU 120 136 LYS 121 137 HIS 122 138 ASP 123 139 VAL 124 140 CYS 125 141 GLY 126 142 CYS 127 143 GLU 128 144 CYS 129 145 SER 130 146 LYS 131 147 LEU 132 148 PRO 133 149 CYS 134 150 ASN 135 151 ASP 136 152 GLU 137 153 HIS 138 154 PRO 139 155 CYS 140 156 TYR 141 157 ARG 142 158 LYS 143 159 GLU 144 160 GLY 145 161 GLY 146 162 VAL 147 163 VAL 148 164 SER 149 165 CYS 150 166 ASP 151 167 CYS 152 168 LYS 153 169 THR 154 170 ILE 155 171 THR 156 172 CYS 157 173 ASN 158 174 GLU 159 175 ASP 160 176 HIS 161 177 PRO 162 178 CYS 163 179 TYR 164 180 HIS 165 181 SER 166 182 TYR 167 183 GLU 168 184 GLU 169 185 ASP 170 186 GLY 171 187 VAL 172 188 THR 173 189 LYS 174 190 SER 175 191 ASP 176 192 CYS 177 193 ASP 178 194 CYS 179 195 GLU 180 196 HIS 181 197 SER 182 198 PRO 183 199 GLY 184 200 PRO 185 201 SER 186 202 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 DBJ BAB18762 "cement protein-20k [Megabalanus rosa]" 100.00 202 98.92 98.92 4.71e-123 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Secretion $Mrcp20k 'Acorn barnacle' 6680 Eukaryota Metazoa Megabalanus rosa Cement stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Mrcp20k 'recombinant technology' 'E. coli' Escherichia coli 'Origami B (DE3)' pET32 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Sample in 10% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mrcp20k 7 mM '[U-13C; U-15N]' 'Sodium Phosphate' 10 mM . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Sample in D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mrcp20k 7 mM '[U-13C; U-15N]' 'Sodium Phosphate' 10 mM . D2O 99.8 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.110 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_15N-separated_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY-HSQC' _Sample_label . save_ save_3D_13C/15N-separated_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C/15N-separated NOESY-HSQC' _Sample_label . save_ save_1H13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label . save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_4D_13C/13C-separated_HSQC-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/13C-separated HSQC-NOESY-HSQC' _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.8 0.02 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C 13 'methyl carbons' ppm 0.0 external direct . . . 1.0 $citation_1 $citation_1 TSP H 1 protons ppm 0.0 external direct . . . 1.0 $citation_1 $citation_1 'Liquid Ammonia' N 15 nitrogen ppm 0.0 external direct . . . 1.0 $citation_1 $citation_1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Sparky stop_ loop_ _Experiment_label '1H15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D 15N-separated NOESY-HSQC' '3D 13C/15N-separated NOESY-HSQC' '1H13C HSQC' '3D HCCH-TOCSY' '4D 13C/13C-separated HSQC-NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name Mrcp20k _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 17 1 ALA HA H 4.10 0.009 1 2 17 1 ALA HB H 1.54 0.009 1 3 17 1 ALA C C 173.1 0.052 1 4 17 1 ALA CA C 51.2 0.094 1 5 17 1 ALA CB C 19.1 0.077 1 6 18 2 MET H H 8.56 0.005 1 7 18 2 MET HA H 4.64 0.013 1 8 18 2 MET HB2 H 1.84 0.009 1 9 18 2 MET HB3 H 1.84 0.009 1 10 18 2 MET HG2 H 2.41 0.004 2 11 18 2 MET HG3 H 2.31 0.009 2 12 18 2 MET HE H 1.92 0.006 1 13 18 2 MET C C 175.0 0.052 1 14 18 2 MET CA C 54.5 0.136 1 15 18 2 MET CB C 33.4 0.029 1 16 18 2 MET CG C 31.5 0.047 1 17 18 2 MET CE C 16.6 0.093 1 18 18 2 MET N N 119.3 0.055 1 19 19 3 ALA H H 8.49 0.003 1 20 19 3 ALA C C 176.2 0.052 1 21 19 3 ALA CA C 51.6 0.029 1 22 19 3 ALA CB C 20.1 0.024 1 23 19 3 ALA N N 125.5 0.042 1 24 20 4 HIS H H 8.72 0.009 1 25 20 4 HIS C C 174.6 0.052 1 26 20 4 HIS CA C 55.5 0.110 1 27 20 4 HIS CB C 28.5 0.046 1 28 20 4 HIS N N 121.1 0.053 1 29 21 5 GLU H H 8.48 0.007 1 30 21 5 GLU C C 177.0 0.052 1 31 21 5 GLU CA C 55.2 0.015 1 32 21 5 GLU CB C 31.7 0.130 1 33 21 5 GLU N N 122.8 0.050 1 34 22 6 GLU H H 8.81 0.004 1 35 22 6 GLU N N 120.7 0.031 1 36 23 7 ASP C C 176.6 0.052 1 37 23 7 ASP CA C 54.4 0.130 1 38 23 7 ASP CB C 40.9 0.130 1 39 24 8 GLY H H 8.33 0.002 1 40 24 8 GLY N N 109.2 0.033 1 41 25 9 VAL HA H 5.00 0.001 1 42 25 9 VAL HB H 1.62 0.008 1 43 25 9 VAL HG1 H 0.64 0.016 2 44 25 9 VAL HG2 H 0.43 0.013 2 45 25 9 VAL C C 174.5 0.052 1 46 25 9 VAL CA C 59.0 0.104 1 47 25 9 VAL CB C 36.0 0.148 1 48 25 9 VAL CG1 C 22.0 0.032 2 49 25 9 VAL CG2 C 19.8 0.062 2 50 26 10 CYS H H 8.48 0.009 1 51 26 10 CYS HA H 5.11 0.010 1 52 26 10 CYS HB2 H 3.12 0.028 2 53 26 10 CYS HB3 H 2.93 0.019 2 54 26 10 CYS C C 170.9 0.052 1 55 26 10 CYS CA C 54.0 0.085 1 56 26 10 CYS CB C 35.9 0.189 1 57 26 10 CYS N N 125.3 0.058 1 58 27 11 ASN H H 6.91 0.008 1 59 27 11 ASN HA H 5.02 0.010 1 60 27 11 ASN HB2 H 3.40 0.007 2 61 27 11 ASN HB3 H 2.97 0.012 2 62 27 11 ASN HD21 H 7.58 0.010 1 63 27 11 ASN HD22 H 7.18 0.001 1 64 27 11 ASN C C 175.5 0.052 1 65 27 11 ASN CA C 50.3 0.081 1 66 27 11 ASN CB C 39.3 0.067 1 67 27 11 ASN N N 125.4 0.050 1 68 27 11 ASN ND2 N 114.1 0.015 1 69 28 12 SER H H 7.99 0.007 1 70 28 12 SER HA H 2.96 0.011 1 71 28 12 SER HB2 H 3.72 0.014 2 72 28 12 SER HB3 H 3.33 0.016 2 73 28 12 SER C C 175.1 0.052 1 74 28 12 SER CA C 59.7 0.117 1 75 28 12 SER CB C 61.3 0.044 1 76 28 12 SER N N 111.0 0.037 1 77 29 13 ASN H H 8.10 0.011 1 78 29 13 ASN HA H 4.71 0.012 1 79 29 13 ASN HB2 H 3.04 0.005 2 80 29 13 ASN HB3 H 2.97 0.005 2 81 29 13 ASN HD21 H 6.89 0.003 1 82 29 13 ASN HD22 H 6.13 0.011 1 83 29 13 ASN C C 176.5 0.052 1 84 29 13 ASN CA C 53.2 0.104 1 85 29 13 ASN CB C 38.9 0.103 1 86 29 13 ASN N N 118.0 0.027 1 87 29 13 ASN ND2 N 114.1 0.127 1 88 30 14 ALA H H 8.44 0.003 1 89 30 14 ALA HA H 4.37 0.003 1 90 30 14 ALA HB H 1.57 0.023 1 91 30 14 ALA CA C 50.0 0.021 1 92 30 14 ALA CB C 17.7 0.090 1 93 30 14 ALA N N 126.2 0.057 1 94 31 15 PRO C C 177.8 0.052 1 95 31 15 PRO CA C 65.8 0.024 1 96 31 15 PRO CB C 33.2 0.080 1 97 32 16 CYS H H 7.62 0.004 1 98 32 16 CYS HA H 4.50 0.012 1 99 32 16 CYS HB2 H 3.68 0.010 2 100 32 16 CYS HB3 H 2.75 0.017 2 101 32 16 CYS C C 172.1 0.052 1 102 32 16 CYS CA C 54.6 0.088 1 103 32 16 CYS CB C 43.5 0.107 1 104 32 16 CYS N N 106.9 0.054 1 105 33 17 TYR H H 8.18 0.006 1 106 33 17 TYR HA H 4.59 0.013 1 107 33 17 TYR HB2 H 3.32 0.010 2 108 33 17 TYR HB3 H 2.74 0.023 2 109 33 17 TYR HD1 H 6.77 0.009 1 110 33 17 TYR HD2 H 6.77 0.009 1 111 33 17 TYR HE1 H 6.49 0.006 1 112 33 17 TYR HE2 H 6.49 0.006 1 113 33 17 TYR C C 174.5 0.052 1 114 33 17 TYR CA C 60.0 0.054 1 115 33 17 TYR CB C 38.3 0.072 1 116 33 17 TYR CD1 C 133.1 0.108 1 117 33 17 TYR CD2 C 133.1 0.108 1 118 33 17 TYR CE1 C 117.0 0.004 1 119 33 17 TYR CE2 C 117.0 0.004 1 120 33 17 TYR N N 123.4 0.045 1 121 34 18 HIS H H 7.99 0.007 1 122 34 18 HIS HA H 4.24 0.013 1 123 34 18 HIS HB2 H 2.69 0.013 2 124 34 18 HIS HB3 H 2.01 0.009 2 125 34 18 HIS C C 170.4 0.052 1 126 34 18 HIS CA C 54.7 0.071 1 127 34 18 HIS CB C 29.0 0.091 1 128 34 18 HIS N N 122.1 0.057 1 129 35 19 CYS H H 8.42 0.006 1 130 35 19 CYS HA H 4.49 0.014 1 131 35 19 CYS HB2 H 2.89 0.011 1 132 35 19 CYS HB3 H 2.89 0.011 1 133 35 19 CYS C C 173.1 0.052 1 134 35 19 CYS CA C 54.3 0.056 1 135 35 19 CYS CB C 47.1 0.063 1 136 35 19 CYS N N 118.0 0.044 1 137 36 20 ASP H H 8.76 0.004 1 138 36 20 ASP HA H 4.67 0.015 1 139 36 20 ASP HB2 H 3.30 0.013 2 140 36 20 ASP HB3 H 2.77 0.007 2 141 36 20 ASP C C 177.5 0.052 1 142 36 20 ASP CA C 52.8 0.134 1 143 36 20 ASP CB C 40.6 0.075 1 144 36 20 ASP N N 119.7 0.043 1 145 37 21 ALA H H 8.48 0.003 1 146 37 21 ALA HA H 4.13 0.006 1 147 37 21 ALA HB H 1.44 0.010 1 148 37 21 ALA C C 178.1 0.052 1 149 37 21 ALA CA C 54.3 0.179 1 150 37 21 ALA CB C 18.2 0.060 1 151 37 21 ALA N N 120.2 0.031 1 152 38 22 ASN H H 8.37 0.006 1 153 38 22 ASN HA H 4.87 0.005 1 154 38 22 ASN HB2 H 2.94 0.005 2 155 38 22 ASN HB3 H 2.86 0.010 2 156 38 22 ASN HD21 H 8.03 0.003 1 157 38 22 ASN HD22 H 6.81 0.006 1 158 38 22 ASN C C 175.4 0.052 1 159 38 22 ASN CA C 52.0 0.057 1 160 38 22 ASN CB C 38.7 0.041 1 161 38 22 ASN N N 114.3 0.026 1 162 38 22 ASN ND2 N 114.2 0.042 1 163 39 23 GLY H H 8.33 0.006 1 164 39 23 GLY HA2 H 4.14 0.010 2 165 39 23 GLY HA3 H 3.60 0.017 2 166 39 23 GLY C C 173.1 0.052 1 167 39 23 GLY CA C 45.5 0.184 1 168 39 23 GLY N N 108.7 0.041 1 169 40 24 GLU H H 8.04 0.003 1 170 40 24 GLU HA H 4.72 0.011 1 171 40 24 GLU HB2 H 2.14 0.016 2 172 40 24 GLU HB3 H 1.92 0.010 2 173 40 24 GLU HG2 H 2.15 0.007 1 174 40 24 GLU HG3 H 2.15 0.007 1 175 40 24 GLU C C 174.0 0.052 1 176 40 24 GLU CA C 53.8 0.112 1 177 40 24 GLU CB C 32.4 0.095 1 178 40 24 GLU CG C 36.2 0.035 1 179 40 24 GLU N N 118.8 0.031 1 180 41 25 ASN H H 9.07 0.005 1 181 41 25 ASN HA H 4.42 0.012 1 182 41 25 ASN HB2 H 2.80 0.013 2 183 41 25 ASN HB3 H 2.68 0.013 2 184 41 25 ASN HD21 H 7.83 0.006 1 185 41 25 ASN HD22 H 7.10 0.005 1 186 41 25 ASN C C 175.1 0.052 1 187 41 25 ASN CA C 54.2 0.062 1 188 41 25 ASN CB C 36.9 0.059 1 189 41 25 ASN N N 115.7 0.015 1 190 41 25 ASN ND2 N 117.6 0.051 1 191 42 26 CYS H H 8.96 0.004 1 192 42 26 CYS HA H 4.75 0.020 1 193 42 26 CYS HB2 H 2.17 0.012 2 194 42 26 CYS HB3 H 2.86 0.009 2 195 42 26 CYS C C 175.4 0.052 1 196 42 26 CYS CA C 56.9 0.050 1 197 42 26 CYS CB C 43.3 0.052 1 198 42 26 CYS N N 118.6 0.021 1 199 43 27 SER H H 8.28 0.004 1 200 43 27 SER HA H 4.37 0.010 1 201 43 27 SER HB2 H 3.84 0.008 2 202 43 27 SER HB3 H 3.03 0.010 2 203 43 27 SER C C 171.9 0.052 1 204 43 27 SER CA C 56.6 0.059 1 205 43 27 SER CB C 65.0 0.059 1 206 43 27 SER N N 116.5 0.030 1 207 44 28 CYS H H 8.81 0.006 1 208 44 28 CYS HA H 4.69 0.011 1 209 44 28 CYS HB2 H 3.23 0.011 2 210 44 28 CYS HB3 H 3.03 0.083 2 211 44 28 CYS C C 171.7 0.052 1 212 44 28 CYS CA C 57.3 0.128 1 213 44 28 CYS CB C 41.0 0.092 1 214 44 28 CYS N N 118.2 0.021 1 215 45 29 ASN H H 7.81 0.004 1 216 45 29 ASN HA H 4.52 0.013 1 217 45 29 ASN HB2 H 2.87 0.012 2 218 45 29 ASN HB3 H 2.74 0.013 2 219 45 29 ASN HD21 H 7.78 0.004 1 220 45 29 ASN HD22 H 7.23 0.006 1 221 45 29 ASN C C 177.8 0.052 1 222 45 29 ASN CA C 53.1 0.065 1 223 45 29 ASN CB C 38.4 0.080 1 224 45 29 ASN N N 115.3 0.051 1 225 45 29 ASN ND2 N 112.9 0.031 1 226 46 30 CYS H H 9.35 0.006 1 227 46 30 CYS HA H 4.50 0.014 1 228 46 30 CYS HB2 H 3.54 0.018 2 229 46 30 CYS HB3 H 3.28 0.012 2 230 46 30 CYS C C 177.0 0.052 1 231 46 30 CYS CA C 57.3 0.127 1 232 46 30 CYS CB C 41.2 0.082 1 233 46 30 CYS N N 126.1 0.048 1 234 47 31 GLU H H 8.64 0.004 1 235 47 31 GLU HA H 4.34 0.005 1 236 47 31 GLU HB2 H 2.17 0.008 1 237 47 31 GLU HB3 H 2.17 0.008 1 238 47 31 GLU HG2 H 2.44 0.010 2 239 47 31 GLU HG3 H 2.34 0.010 2 240 47 31 GLU C C 177.4 0.052 1 241 47 31 GLU CA C 58.1 0.062 1 242 47 31 GLU CB C 28.7 0.067 1 243 47 31 GLU CG C 36.5 0.050 1 244 47 31 GLU N N 119.0 0.030 1 245 48 32 LEU H H 7.20 0.005 1 246 48 32 LEU HA H 4.40 0.014 1 247 48 32 LEU HB2 H 2.01 0.011 2 248 48 32 LEU HB3 H 1.52 0.013 2 249 48 32 LEU HG H 1.54 0.006 1 250 48 32 LEU HD1 H 0.96 0.013 2 251 48 32 LEU HD2 H 0.86 0.007 2 252 48 32 LEU C C 174.6 0.052 1 253 48 32 LEU CA C 53.6 0.067 1 254 48 32 LEU CB C 41.9 0.069 1 255 48 32 LEU CG C 26.6 0.064 1 256 48 32 LEU CD1 C 25.1 0.066 2 257 48 32 LEU CD2 C 21.6 0.063 2 258 48 32 LEU N N 117.0 0.042 1 259 49 33 PHE H H 6.97 0.005 1 260 49 33 PHE HA H 3.86 0.010 1 261 49 33 PHE HB2 H 3.59 0.011 2 262 49 33 PHE HB3 H 2.31 0.015 2 263 49 33 PHE HD1 H 6.84 0.013 1 264 49 33 PHE HD2 H 6.84 0.013 1 265 49 33 PHE HE1 H 7.24 0.013 1 266 49 33 PHE HE2 H 7.24 0.013 1 267 49 33 PHE HZ H 7.13 0.020 1 268 49 33 PHE C C 173.5 0.052 1 269 49 33 PHE CA C 52.4 0.091 1 270 49 33 PHE CB C 38.1 0.106 1 271 49 33 PHE CD1 C 129.1 0.108 1 272 49 33 PHE CD2 C 129.1 0.108 1 273 49 33 PHE CE1 C 130.4 0.118 1 274 49 33 PHE CE2 C 130.4 0.118 1 275 49 33 PHE CZ C 129.0 0.114 1 276 49 33 PHE N N 123.9 0.047 1 277 50 34 ASP H H 8.83 0.008 1 278 50 34 ASP HA H 4.25 0.016 1 279 50 34 ASP HB2 H 2.81 0.007 2 280 50 34 ASP HB3 H 2.76 0.012 2 281 50 34 ASP C C 176.8 0.052 1 282 50 34 ASP CA C 55.2 0.078 1 283 50 34 ASP CB C 41.7 0.055 1 284 50 34 ASP N N 129.4 0.047 1 285 51 35 CYS H H 8.69 0.004 1 286 51 35 CYS HA H 4.57 0.016 1 287 51 35 CYS HB2 H 3.21 0.010 2 288 51 35 CYS HB3 H 2.80 0.015 2 289 51 35 CYS C C 176.3 0.052 1 290 51 35 CYS CA C 53.3 0.103 1 291 51 35 CYS CB C 35.9 0.073 1 292 51 35 CYS N N 124.2 0.060 1 293 52 36 GLU H H 8.58 0.004 1 294 52 36 GLU HA H 4.48 0.009 1 295 52 36 GLU HB2 H 2.50 0.007 2 296 52 36 GLU HB3 H 1.96 0.010 2 297 52 36 GLU HG2 H 2.36 0.008 2 298 52 36 GLU HG3 H 2.13 0.011 2 299 52 36 GLU C C 175.5 0.052 1 300 52 36 GLU CA C 53.9 0.092 1 301 52 36 GLU CB C 29.1 0.048 1 302 52 36 GLU CG C 36.3 0.060 1 303 52 36 GLU N N 116.7 0.033 1 304 53 37 ALA H H 7.64 0.004 1 305 53 37 ALA HA H 4.21 0.009 1 306 53 37 ALA HB H 1.64 0.012 1 307 53 37 ALA C C 178.4 0.052 1 308 53 37 ALA CA C 53.2 0.084 1 309 53 37 ALA CB C 19.6 0.075 1 310 53 37 ALA N N 122.3 0.031 1 311 54 38 LYS H H 8.88 0.004 1 312 54 38 LYS HA H 5.08 0.015 1 313 54 38 LYS HB2 H 1.68 0.012 2 314 54 38 LYS HB3 H 1.58 0.012 2 315 54 38 LYS HG2 H 1.39 0.010 2 316 54 38 LYS HG3 H 0.76 0.011 2 317 54 38 LYS HD2 H 1.28 0.009 1 318 54 38 LYS HD3 H 1.28 0.009 1 319 54 38 LYS HE2 H 2.58 0.007 2 320 54 38 LYS HE3 H 2.44 0.008 2 321 54 38 LYS C C 177.5 0.052 1 322 54 38 LYS CA C 54.4 0.093 1 323 54 38 LYS CB C 36.0 0.096 1 324 54 38 LYS CG C 24.4 0.086 1 325 54 38 LYS CD C 28.6 0.073 1 326 54 38 LYS CE C 41.5 0.081 1 327 54 38 LYS N N 121.2 0.045 1 328 55 39 LYS H H 8.96 0.004 1 329 55 39 LYS HA H 4.63 0.014 1 330 55 39 LYS HB2 H 1.84 0.025 1 331 55 39 LYS HB3 H 1.84 0.025 1 332 55 39 LYS HG2 H 1.46 0.018 2 333 55 39 LYS HG3 H 1.34 0.019 2 334 55 39 LYS HD2 H 1.76 0.009 1 335 55 39 LYS HD3 H 1.76 0.009 1 336 55 39 LYS HE2 H 3.08 0.008 1 337 55 39 LYS HE3 H 3.08 0.008 1 338 55 39 LYS CA C 54.9 0.119 1 339 55 39 LYS CB C 31.3 0.071 1 340 55 39 LYS CG C 25.7 0.068 1 341 55 39 LYS CD C 28.7 0.042 1 342 55 39 LYS CE C 41.6 0.128 1 343 55 39 LYS N N 121.5 0.025 1 344 56 40 PRO HA H 4.34 0.010 1 345 56 40 PRO HB2 H 2.44 0.010 2 346 56 40 PRO HB3 H 1.94 0.013 2 347 56 40 PRO HG2 H 2.17 0.014 2 348 56 40 PRO HG3 H 2.05 0.008 2 349 56 40 PRO HD2 H 3.95 0.014 2 350 56 40 PRO HD3 H 3.82 0.006 2 351 56 40 PRO C C 176.4 0.052 1 352 56 40 PRO CA C 65.2 0.085 1 353 56 40 PRO CB C 31.4 0.093 1 354 56 40 PRO CG C 27.5 0.050 1 355 56 40 PRO CD C 50.5 0.188 1 356 57 41 ASP H H 7.41 0.004 1 357 57 41 ASP HA H 4.47 0.011 1 358 57 41 ASP HB2 H 3.09 0.011 2 359 57 41 ASP HB3 H 2.60 0.013 2 360 57 41 ASP C C 176.9 0.052 1 361 57 41 ASP CA C 53.2 0.054 1 362 57 41 ASP CB C 39.3 0.121 1 363 57 41 ASP N N 112.5 0.042 1 364 58 42 GLY H H 8.37 0.003 1 365 58 42 GLY HA2 H 4.32 0.007 2 366 58 42 GLY HA3 H 3.51 0.013 2 367 58 42 GLY C C 173.6 0.052 1 368 58 42 GLY CA C 44.6 0.060 1 369 58 42 GLY N N 108.9 0.044 1 370 59 43 SER H H 8.23 0.004 1 371 59 43 SER HA H 4.29 0.008 1 372 59 43 SER HB2 H 4.00 0.009 2 373 59 43 SER HB3 H 3.90 0.008 2 374 59 43 SER C C 173.6 0.052 1 375 59 43 SER CA C 57.7 0.064 1 376 59 43 SER CB C 63.6 0.077 1 377 59 43 SER N N 117.4 0.034 1 378 60 44 TYR H H 8.65 0.003 1 379 60 44 TYR HA H 4.54 0.009 1 380 60 44 TYR HB2 H 3.53 0.010 2 381 60 44 TYR HB3 H 2.76 0.014 2 382 60 44 TYR HD1 H 7.19 0.009 1 383 60 44 TYR HD2 H 7.19 0.009 1 384 60 44 TYR HE1 H 6.77 0.008 1 385 60 44 TYR HE2 H 6.77 0.008 1 386 60 44 TYR C C 177.0 0.052 1 387 60 44 TYR CA C 60.9 0.082 1 388 60 44 TYR CB C 37.1 0.136 1 389 60 44 TYR CD1 C 132.8 0.099 1 390 60 44 TYR CD2 C 132.8 0.099 1 391 60 44 TYR CE1 C 117.7 0.083 1 392 60 44 TYR CE2 C 117.7 0.083 1 393 60 44 TYR N N 119.3 0.040 1 394 61 45 ALA H H 8.63 0.004 1 395 61 45 ALA HA H 4.16 0.012 1 396 61 45 ALA HB H 1.45 0.010 1 397 61 45 ALA C C 177.2 0.052 1 398 61 45 ALA CA C 52.7 0.066 1 399 61 45 ALA CB C 21.0 0.079 1 400 61 45 ALA N N 125.2 0.020 1 401 62 46 HIS H H 9.74 0.004 1 402 62 46 HIS HA H 3.69 0.015 1 403 62 46 HIS HB2 H 2.90 0.012 2 404 62 46 HIS HB3 H 2.69 0.021 2 405 62 46 HIS HD2 H 6.76 0.009 1 406 62 46 HIS HE1 H 7.56 0.004 1 407 62 46 HIS HE2 H 11.23 0.006 1 408 62 46 HIS CA C 55.9 0.095 1 409 62 46 HIS CB C 31.0 0.113 1 410 62 46 HIS CD2 C 119.7 0.125 1 411 62 46 HIS CE1 C 137.4 0.069 1 412 62 46 HIS N N 123.5 0.036 1 413 62 46 HIS NE2 N 163.4 0.074 1 414 63 47 PRO HA H 4.50 0.009 1 415 63 47 PRO HB2 H 2.48 0.012 2 416 63 47 PRO HB3 H 1.98 0.013 2 417 63 47 PRO HG2 H 2.12 0.031 1 418 63 47 PRO HG3 H 2.12 0.031 1 419 63 47 PRO HD2 H 3.57 0.024 2 420 63 47 PRO HD3 H 2.94 0.014 2 421 63 47 PRO C C 177.5 0.052 1 422 63 47 PRO CA C 63.8 0.110 1 423 63 47 PRO CB C 31.8 0.077 1 424 63 47 PRO CG C 27.6 0.260 1 425 63 47 PRO CD C 50.4 0.129 1 426 64 48 CYS H H 10.34 0.004 1 427 64 48 CYS HA H 4.30 0.013 1 428 64 48 CYS HB2 H 3.55 0.026 2 429 64 48 CYS HB3 H 2.68 0.014 2 430 64 48 CYS C C 172.3 0.052 1 431 64 48 CYS CA C 52.1 0.093 1 432 64 48 CYS CB C 44.8 0.141 1 433 64 48 CYS N N 117.4 0.039 1 434 65 49 ARG H H 6.94 0.004 1 435 65 49 ARG HA H 4.51 0.017 1 436 65 49 ARG HB2 H 1.68 0.016 1 437 65 49 ARG HB3 H 1.68 0.016 1 438 65 49 ARG HG2 H 1.07 0.016 2 439 65 49 ARG HG3 H 0.99 0.030 2 440 65 49 ARG HD2 H 2.77 0.010 2 441 65 49 ARG HD3 H 2.51 0.016 2 442 65 49 ARG HE H 6.11 0.006 1 443 65 49 ARG C C 176.2 0.052 1 444 65 49 ARG CA C 57.2 0.097 1 445 65 49 ARG CB C 29.8 0.170 1 446 65 49 ARG CG C 27.8 0.129 1 447 65 49 ARG CD C 43.1 0.206 1 448 65 49 ARG CZ C 157.4 0.052 1 449 65 49 ARG N N 120.2 0.023 1 450 65 49 ARG NE N 84.4 0.059 1 451 66 50 ARG H H 9.11 0.004 1 452 66 50 ARG HA H 4.68 0.014 1 453 66 50 ARG HB2 H 1.74 0.019 1 454 66 50 ARG HB3 H 1.74 0.019 1 455 66 50 ARG HG2 H 1.53 0.016 2 456 66 50 ARG HG3 H 1.47 0.023 2 457 66 50 ARG HD2 H 3.42 0.012 2 458 66 50 ARG HD3 H 3.10 0.011 2 459 66 50 ARG HE H 7.42 0.006 1 460 66 50 ARG HH11 H 6.81 0.031 1 461 66 50 ARG HH12 H 6.81 0.031 1 462 66 50 ARG HH21 H 6.59 0.031 1 463 66 50 ARG HH22 H 6.59 0.031 1 464 66 50 ARG C C 175.1 0.052 1 465 66 50 ARG CA C 53.6 0.061 1 466 66 50 ARG CB C 33.7 0.100 1 467 66 50 ARG CG C 26.2 0.185 1 468 66 50 ARG CD C 42.8 0.095 1 469 66 50 ARG CZ C 159.5 0.052 1 470 66 50 ARG N N 130.4 0.043 1 471 66 50 ARG NE N 85.6 0.067 1 472 67 51 CYS H H 8.89 0.004 1 473 67 51 CYS HA H 5.38 0.014 1 474 67 51 CYS HB2 H 3.03 0.012 2 475 67 51 CYS HB3 H 2.63 0.010 2 476 67 51 CYS C C 173.7 0.052 1 477 67 51 CYS CA C 54.5 0.057 1 478 67 51 CYS CB C 48.4 0.049 1 479 67 51 CYS N N 121.9 0.024 1 480 68 52 ASP H H 8.31 0.004 1 481 68 52 ASP HA H 4.69 0.011 1 482 68 52 ASP HB2 H 3.31 0.009 2 483 68 52 ASP HB3 H 2.74 0.016 2 484 68 52 ASP C C 177.6 0.052 1 485 68 52 ASP CA C 52.0 0.107 1 486 68 52 ASP CB C 41.3 0.115 1 487 68 52 ASP N N 123.8 0.018 1 488 69 53 ALA H H 8.31 0.003 1 489 69 53 ALA HA H 4.16 0.014 1 490 69 53 ALA HB H 1.42 0.017 1 491 69 53 ALA C C 177.8 0.052 1 492 69 53 ALA CA C 53.8 0.083 1 493 69 53 ALA CB C 18.2 0.070 1 494 69 53 ALA N N 119.7 0.037 1 495 70 54 ASN H H 8.29 0.004 1 496 70 54 ASN HA H 4.83 0.017 1 497 70 54 ASN HB2 H 2.96 0.014 2 498 70 54 ASN HB3 H 2.75 0.020 2 499 70 54 ASN HD21 H 7.79 0.004 1 500 70 54 ASN HD22 H 6.90 0.002 1 501 70 54 ASN C C 174.0 0.052 1 502 70 54 ASN CA C 52.2 0.083 1 503 70 54 ASN CB C 38.6 0.114 1 504 70 54 ASN N N 115.7 0.019 1 505 70 54 ASN ND2 N 114.4 0.069 1 506 71 55 ASN H H 8.31 0.004 1 507 71 55 ASN HA H 4.11 0.011 1 508 71 55 ASN HB2 H 3.16 0.011 2 509 71 55 ASN HB3 H 2.74 0.012 2 510 71 55 ASN HD21 H 7.52 0.002 1 511 71 55 ASN HD22 H 6.73 0.004 1 512 71 55 ASN C C 173.2 0.052 1 513 71 55 ASN CA C 54.5 0.086 1 514 71 55 ASN CB C 36.9 0.076 1 515 71 55 ASN N N 114.5 0.048 1 516 71 55 ASN ND2 N 111.9 0.036 1 517 72 56 ILE H H 8.18 0.006 1 518 72 56 ILE HA H 4.14 0.013 1 519 72 56 ILE HB H 2.21 0.011 1 520 72 56 ILE HG12 H 1.41 0.013 2 521 72 56 ILE HG13 H 1.19 0.012 2 522 72 56 ILE HG2 H 0.79 0.008 1 523 72 56 ILE HD1 H 0.79 0.010 1 524 72 56 ILE C C 177.1 0.052 1 525 72 56 ILE CA C 60.1 0.087 1 526 72 56 ILE CB C 34.9 0.043 1 527 72 56 ILE CG1 C 26.5 0.070 1 528 72 56 ILE CG2 C 17.0 0.060 1 529 72 56 ILE CD1 C 10.6 0.064 1 530 72 56 ILE N N 120.0 0.034 1 531 73 57 CYS H H 8.82 0.004 1 532 73 57 CYS HA H 5.49 0.014 1 533 73 57 CYS HB2 H 2.86 0.009 2 534 73 57 CYS HB3 H 2.17 0.018 2 535 73 57 CYS C C 173.1 0.052 1 536 73 57 CYS CA C 54.9 0.069 1 537 73 57 CYS CB C 47.0 0.045 1 538 73 57 CYS N N 128.5 0.028 1 539 74 58 LYS H H 8.60 0.003 1 540 74 58 LYS HA H 4.58 0.009 1 541 74 58 LYS HB2 H 1.82 0.011 2 542 74 58 LYS HB3 H 1.77 0.017 2 543 74 58 LYS HG2 H 1.36 0.008 1 544 74 58 LYS HG3 H 1.36 0.008 1 545 74 58 LYS HD2 H 1.67 0.006 2 546 74 58 LYS HD3 H 1.61 0.008 2 547 74 58 LYS HE2 H 2.88 0.009 1 548 74 58 LYS HE3 H 2.88 0.009 1 549 74 58 LYS C C 174.9 0.052 1 550 74 58 LYS CA C 54.5 0.077 1 551 74 58 LYS CB C 35.9 0.019 1 552 74 58 LYS CG C 24.2 0.050 1 553 74 58 LYS CD C 28.6 0.064 1 554 74 58 LYS CE C 41.6 0.039 1 555 74 58 LYS N N 121.7 0.029 1 556 75 59 CYS H H 8.69 0.004 1 557 75 59 CYS HA H 4.62 0.010 1 558 75 59 CYS HB2 H 2.29 0.010 2 559 75 59 CYS HB3 H 1.18 0.010 2 560 75 59 CYS C C 173.6 0.052 1 561 75 59 CYS CA C 56.7 0.130 1 562 75 59 CYS CB C 35.5 0.082 1 563 75 59 CYS N N 117.2 0.043 1 564 76 60 SER H H 6.96 0.004 1 565 76 60 SER HA H 4.52 0.010 1 566 76 60 SER HB2 H 3.94 0.008 2 567 76 60 SER HB3 H 3.64 0.010 2 568 76 60 SER CA C 56.7 0.108 1 569 76 60 SER CB C 62.2 0.047 1 570 76 60 SER N N 112.6 0.021 1 571 77 61 CYS HA H 4.76 0.016 1 572 77 61 CYS HB2 H 3.53 0.006 2 573 77 61 CYS HB3 H 3.08 0.011 2 574 77 61 CYS C C 176.6 0.052 1 575 77 61 CYS CA C 56.6 0.084 1 576 77 61 CYS CB C 41.2 0.075 1 577 78 62 THR H H 7.89 0.007 1 578 78 62 THR HA H 4.43 0.009 1 579 78 62 THR HB H 4.33 0.010 1 580 78 62 THR HG2 H 1.25 0.010 1 581 78 62 THR C C 175.4 0.052 1 582 78 62 THR CA C 62.6 0.066 1 583 78 62 THR CB C 68.0 0.051 1 584 78 62 THR CG2 C 21.8 0.036 1 585 78 62 THR N N 109.7 0.053 1 586 79 63 ALA H H 7.32 0.005 1 587 79 63 ALA HA H 4.22 0.014 1 588 79 63 ALA HB H 1.39 0.013 1 589 79 63 ALA C C 177.1 0.052 1 590 79 63 ALA CA C 52.5 0.043 1 591 79 63 ALA CB C 18.7 0.099 1 592 79 63 ALA N N 122.8 0.046 1 593 80 64 ILE H H 6.82 0.004 1 594 80 64 ILE HA H 4.31 0.015 1 595 80 64 ILE HB H 1.76 0.008 1 596 80 64 ILE HG12 H 1.82 0.013 2 597 80 64 ILE HG13 H 0.81 0.018 2 598 80 64 ILE HG2 H 0.91 0.015 1 599 80 64 ILE HD1 H 0.70 0.009 1 600 80 64 ILE CA C 58.1 0.122 1 601 80 64 ILE CB C 39.3 0.119 1 602 80 64 ILE CG1 C 26.7 0.072 1 603 80 64 ILE CG2 C 17.0 0.068 1 604 80 64 ILE CD1 C 13.1 0.107 1 605 80 64 ILE N N 120.7 0.030 1 606 81 65 PRO HA H 4.30 0.011 1 607 81 65 PRO HB2 H 2.29 0.010 2 608 81 65 PRO HB3 H 1.83 0.012 2 609 81 65 PRO HG2 H 2.15 0.008 2 610 81 65 PRO HG3 H 2.01 0.009 2 611 81 65 PRO HD2 H 4.04 0.014 2 612 81 65 PRO HD3 H 3.66 0.014 2 613 81 65 PRO C C 176.8 0.052 1 614 81 65 PRO CA C 62.9 0.146 1 615 81 65 PRO CB C 31.5 0.076 1 616 81 65 PRO CG C 27.5 0.082 1 617 81 65 PRO CD C 50.5 0.149 1 618 82 66 CYS H H 9.19 0.004 1 619 82 66 CYS HA H 5.14 0.019 1 620 82 66 CYS HB2 H 3.11 0.012 2 621 82 66 CYS HB3 H 2.90 0.013 2 622 82 66 CYS C C 172.3 0.052 1 623 82 66 CYS CA C 54.0 0.110 1 624 82 66 CYS CB C 33.6 0.113 1 625 82 66 CYS N N 120.2 0.043 1 626 83 67 ASN H H 7.67 0.007 1 627 83 67 ASN HA H 4.34 0.010 1 628 83 67 ASN HB2 H 3.20 0.014 2 629 83 67 ASN HB3 H 3.10 0.014 2 630 83 67 ASN HD21 H 7.81 0.004 1 631 83 67 ASN HD22 H 7.09 0.006 1 632 83 67 ASN C C 174.2 0.052 1 633 83 67 ASN CA C 51.1 0.107 1 634 83 67 ASN CB C 37.9 0.084 1 635 83 67 ASN N N 126.2 0.041 1 636 83 67 ASN ND2 N 114.5 0.052 1 637 84 68 GLU H H 9.08 0.007 1 638 84 68 GLU HA H 2.97 0.011 1 639 84 68 GLU HB2 H 1.84 0.009 1 640 84 68 GLU HB3 H 1.84 0.009 1 641 84 68 GLU HG2 H 2.16 0.015 2 642 84 68 GLU HG3 H 1.95 0.008 2 643 84 68 GLU C C 175.5 0.052 1 644 84 68 GLU CA C 58.9 0.070 1 645 84 68 GLU CB C 28.2 0.037 1 646 84 68 GLU CG C 36.3 0.038 1 647 84 68 GLU N N 115.9 0.037 1 648 85 69 ASP H H 7.99 0.004 1 649 85 69 ASP HA H 4.72 0.031 1 650 85 69 ASP HB2 H 2.79 0.031 2 651 85 69 ASP HB3 H 2.48 0.031 2 652 85 69 ASP C C 176.0 0.052 1 653 85 69 ASP CA C 54.3 0.018 1 654 85 69 ASP CB C 41.0 0.011 1 655 85 69 ASP N N 116.8 0.043 1 656 86 70 HIS H H 8.48 0.013 1 657 86 70 HIS HA H 4.46 0.008 1 658 86 70 HIS HB2 H 3.79 0.015 2 659 86 70 HIS HB3 H 3.59 0.031 2 660 86 70 HIS HD2 H 7.29 0.007 1 661 86 70 HIS HE1 H 7.81 0.031 1 662 86 70 HIS HE2 H 11.29 0.007 1 663 86 70 HIS CA C 55.6 0.010 1 664 86 70 HIS CB C 32.4 0.028 1 665 86 70 HIS CD2 C 120.5 0.104 1 666 86 70 HIS CE1 C 137.9 0.260 1 667 86 70 HIS N N 126.8 0.084 1 668 86 70 HIS NE2 N 164.5 0.063 1 669 87 71 PRO HA H 4.57 0.031 1 670 87 71 PRO HB2 H 2.55 0.031 2 671 87 71 PRO HB3 H 2.07 0.031 2 672 87 71 PRO HG2 H 1.89 0.031 1 673 87 71 PRO HG3 H 1.89 0.031 1 674 87 71 PRO HD2 H 3.56 0.016 2 675 87 71 PRO HD3 H 2.63 0.013 2 676 87 71 PRO C C 177.4 0.052 1 677 87 71 PRO CA C 64.2 0.018 1 678 87 71 PRO CB C 32.5 0.010 1 679 87 71 PRO CG C 26.7 0.260 1 680 87 71 PRO CD C 50.3 0.091 1 681 88 72 CYS H H 11.40 0.005 1 682 88 72 CYS C C 175.3 0.052 1 683 88 72 CYS CA C 52.6 0.037 1 684 88 72 CYS CB C 46.8 0.260 1 685 88 72 CYS N N 119.5 0.043 1 686 89 73 HIS H H 7.74 0.009 1 687 89 73 HIS CA C 58.8 0.007 1 688 89 73 HIS N N 120.2 0.059 1 689 93 77 GLU C C 176.0 0.052 1 690 93 77 GLU CA C 56.3 0.051 1 691 93 77 GLU CB C 30.0 0.130 1 692 94 78 GLU H H 8.59 0.003 1 693 94 78 GLU C C 176.7 0.052 1 694 94 78 GLU CA C 55.5 0.028 1 695 94 78 GLU CB C 30.8 0.043 1 696 94 78 GLU N N 122.9 0.068 1 697 95 79 ASP H H 8.73 0.005 1 698 95 79 ASP HA H 4.50 0.009 1 699 95 79 ASP HB2 H 2.71 0.007 1 700 95 79 ASP HB3 H 2.71 0.007 1 701 95 79 ASP C C 176.1 0.052 1 702 95 79 ASP CA C 55.3 0.081 1 703 95 79 ASP CB C 40.7 0.050 1 704 95 79 ASP N N 122.1 0.018 1 705 96 80 ASP H H 8.35 0.005 1 706 96 80 ASP HA H 4.54 0.013 1 707 96 80 ASP HB2 H 2.80 0.014 1 708 96 80 ASP HB3 H 2.80 0.014 1 709 96 80 ASP C C 176.4 0.052 1 710 96 80 ASP CA C 53.7 0.107 1 711 96 80 ASP CB C 39.8 0.072 1 712 96 80 ASP N N 118.8 0.032 1 713 97 81 GLY H H 8.21 0.005 1 714 97 81 GLY HA2 H 4.17 0.001 2 715 97 81 GLY HA3 H 3.84 0.031 2 716 97 81 GLY C C 173.7 0.052 1 717 97 81 GLY CA C 45.1 0.031 1 718 97 81 GLY N N 107.4 0.027 1 719 98 82 ASP H H 8.03 0.008 1 720 98 82 ASP HA H 4.86 0.009 1 721 98 82 ASP HB2 H 2.76 0.014 2 722 98 82 ASP HB3 H 2.67 0.025 2 723 98 82 ASP C C 175.4 0.052 1 724 98 82 ASP CA C 53.5 0.063 1 725 98 82 ASP CB C 41.4 0.092 1 726 98 82 ASP N N 121.3 0.043 1 727 99 83 THR H H 8.41 0.003 1 728 99 83 THR HA H 4.91 0.014 1 729 99 83 THR HB H 4.13 0.009 1 730 99 83 THR HG2 H 1.22 0.010 1 731 99 83 THR C C 174.1 0.052 1 732 99 83 THR CA C 61.3 0.108 1 733 99 83 THR CB C 70.3 0.135 1 734 99 83 THR CG2 C 21.5 0.053 1 735 99 83 THR N N 115.1 0.037 1 736 100 84 HIS H H 8.70 0.005 1 737 100 84 HIS N N 121.5 0.008 1 738 110 94 ASP C C 174.9 0.052 1 739 110 94 ASP CA C 53.9 0.010 1 740 110 94 ASP CB C 40.7 0.130 1 741 111 95 HIS H H 9.27 0.006 1 742 111 95 HIS HA H 3.96 0.007 1 743 111 95 HIS HB2 H 3.29 0.014 2 744 111 95 HIS HB3 H 3.10 0.006 2 745 111 95 HIS C C 175.0 0.052 1 746 111 95 HIS CA C 55.4 0.051 1 747 111 95 HIS CB C 31.2 0.191 1 748 111 95 HIS N N 125.2 0.160 1 749 112 96 HIS H H 7.69 0.010 1 750 112 96 HIS HA H 4.48 0.013 1 751 112 96 HIS HB2 H 3.06 0.015 2 752 112 96 HIS HB3 H 2.57 0.011 2 753 112 96 HIS C C 175.0 0.052 1 754 112 96 HIS CA C 56.6 0.068 1 755 112 96 HIS CB C 31.6 0.084 1 756 112 96 HIS N N 120.7 0.063 1 757 113 97 ASP H H 8.67 0.004 1 758 113 97 ASP HA H 4.39 0.009 1 759 113 97 ASP HB2 H 2.64 0.010 2 760 113 97 ASP HB3 H 2.51 0.009 2 761 113 97 ASP C C 177.6 0.052 1 762 113 97 ASP CA C 54.9 0.071 1 763 113 97 ASP CB C 41.1 0.045 1 764 113 97 ASP N N 121.3 0.051 1 765 114 98 ASP H H 8.88 0.005 1 766 114 98 ASP HA H 4.00 0.012 1 767 114 98 ASP HB2 H 2.50 0.011 2 768 114 98 ASP HB3 H 2.31 0.010 2 769 114 98 ASP C C 177.3 0.052 1 770 114 98 ASP CA C 57.5 0.081 1 771 114 98 ASP CB C 40.2 0.078 1 772 114 98 ASP N N 123.7 0.049 1 773 115 99 ASP H H 8.42 0.004 1 774 115 99 ASP HA H 4.15 0.014 1 775 115 99 ASP HB2 H 2.64 0.010 2 776 115 99 ASP HB3 H 2.52 0.016 2 777 115 99 ASP C C 173.8 0.052 1 778 115 99 ASP CA C 53.9 0.086 1 779 115 99 ASP CB C 39.3 0.069 1 780 115 99 ASP N N 118.0 0.026 1 781 116 100 THR H H 7.30 0.007 1 782 116 100 THR HA H 3.85 0.007 1 783 116 100 THR HB H 3.86 0.007 1 784 116 100 THR HG2 H 0.95 0.017 1 785 116 100 THR C C 172.3 0.052 1 786 116 100 THR CA C 62.4 0.060 1 787 116 100 THR CB C 68.2 0.092 1 788 116 100 THR CG2 C 21.2 0.041 1 789 116 100 THR N N 117.3 0.036 1 790 117 101 HIS H H 8.78 0.008 1 791 117 101 HIS HA H 3.90 0.013 1 792 117 101 HIS HB2 H 2.83 0.017 2 793 117 101 HIS HB3 H 2.68 0.015 2 794 117 101 HIS C C 176.1 0.052 1 795 117 101 HIS CA C 57.6 0.105 1 796 117 101 HIS CB C 27.2 0.060 1 797 117 101 HIS N N 127.5 0.045 1 798 118 102 GLY H H 6.13 0.005 1 799 118 102 GLY HA2 H 3.40 0.005 1 800 118 102 GLY HA3 H 3.40 0.005 1 801 118 102 GLY C C 172.5 0.052 1 802 118 102 GLY CA C 43.6 0.040 1 803 118 102 GLY N N 110.1 0.052 1 804 119 103 GLU H H 7.03 0.004 1 805 119 103 GLU HA H 4.65 0.015 1 806 119 103 GLU HB2 H 1.68 0.015 2 807 119 103 GLU HB3 H 1.19 0.014 2 808 119 103 GLU HG2 H 1.51 0.007 2 809 119 103 GLU HG3 H 0.98 0.016 2 810 119 103 GLU C C 175.7 0.052 1 811 119 103 GLU CA C 52.4 0.117 1 812 119 103 GLU CB C 30.8 0.157 1 813 119 103 GLU CG C 33.5 0.082 1 814 119 103 GLU N N 115.3 0.034 1 815 120 104 CYS H H 10.06 0.008 1 816 120 104 CYS HA H 4.82 0.015 1 817 120 104 CYS HB2 H 3.35 0.009 1 818 120 104 CYS HB3 H 3.35 0.009 1 819 120 104 CYS C C 171.5 0.052 1 820 120 104 CYS CA C 55.9 0.110 1 821 120 104 CYS CB C 35.5 0.053 1 822 120 104 CYS N N 123.7 0.066 1 823 121 105 THR H H 6.88 0.005 1 824 121 105 THR HA H 4.43 0.014 1 825 121 105 THR HB H 4.43 0.015 1 826 121 105 THR HG2 H 1.18 0.013 1 827 121 105 THR C C 173.1 0.052 1 828 121 105 THR CA C 58.3 0.090 1 829 121 105 THR CB C 73.1 0.076 1 830 121 105 THR CG2 C 20.3 0.115 1 831 121 105 THR N N 119.3 0.026 1 832 122 106 LYS H H 7.43 0.021 1 833 122 106 LYS HA H 2.07 0.012 1 834 122 106 LYS HB2 H 1.17 0.011 2 835 122 106 LYS HB3 H 0.83 0.018 2 836 122 106 LYS HG2 H 0.93 0.010 2 837 122 106 LYS HG3 H 0.69 0.013 2 838 122 106 LYS HD2 H 1.51 0.010 1 839 122 106 LYS HD3 H 1.51 0.010 1 840 122 106 LYS HE2 H 2.92 0.006 1 841 122 106 LYS HE3 H 2.92 0.006 1 842 122 106 LYS C C 175.4 0.052 1 843 122 106 LYS CA C 56.4 0.080 1 844 122 106 LYS CB C 30.6 0.048 1 845 122 106 LYS CG C 23.1 0.086 1 846 122 106 LYS CD C 29.1 0.043 1 847 122 106 LYS CE C 41.0 0.084 1 848 122 106 LYS N N 116.4 0.034 1 849 123 107 LYS H H 7.50 0.005 1 850 123 107 LYS HA H 4.09 0.010 1 851 123 107 LYS HB2 H 1.77 0.009 2 852 123 107 LYS HB3 H 1.35 0.005 2 853 123 107 LYS HG2 H 1.36 0.009 1 854 123 107 LYS HG3 H 1.36 0.009 1 855 123 107 LYS HD2 H 1.51 0.013 1 856 123 107 LYS HD3 H 1.51 0.013 1 857 123 107 LYS HE2 H 2.90 0.008 1 858 123 107 LYS HE3 H 2.90 0.008 1 859 123 107 LYS C C 176.9 0.052 1 860 123 107 LYS CA C 55.1 0.088 1 861 123 107 LYS CB C 33.9 0.062 1 862 123 107 LYS CG C 26.5 0.084 1 863 123 107 LYS CD C 28.4 0.144 1 864 123 107 LYS CE C 41.5 0.079 1 865 123 107 LYS N N 118.7 0.048 1 866 124 108 ALA H H 8.25 0.004 1 867 124 108 ALA HA H 4.34 0.014 1 868 124 108 ALA HB H 1.41 0.016 1 869 124 108 ALA CA C 50.2 0.086 1 870 124 108 ALA CB C 18.5 0.100 1 871 124 108 ALA N N 123.5 0.040 1 872 125 109 PRO HA H 4.42 0.014 1 873 125 109 PRO HB2 H 2.52 0.006 2 874 125 109 PRO HB3 H 2.09 0.026 2 875 125 109 PRO HG2 H 2.79 0.009 2 876 125 109 PRO HG3 H 2.28 0.010 2 877 125 109 PRO HD2 H 4.04 0.017 2 878 125 109 PRO HD3 H 3.88 0.005 2 879 125 109 PRO C C 177.7 0.052 1 880 125 109 PRO CA C 65.3 0.082 1 881 125 109 PRO CB C 32.4 0.121 1 882 125 109 PRO CG C 28.6 0.133 1 883 125 109 PRO CD C 51.1 0.226 1 884 126 110 CYS H H 7.20 0.004 1 885 126 110 CYS HA H 4.42 0.016 1 886 126 110 CYS HB2 H 3.52 0.012 2 887 126 110 CYS HB3 H 2.72 0.025 2 888 126 110 CYS C C 170.2 0.052 1 889 126 110 CYS CA C 53.7 0.090 1 890 126 110 CYS CB C 43.5 0.117 1 891 126 110 CYS N N 108.1 0.046 1 892 127 111 TRP H H 7.53 0.005 1 893 127 111 TRP HA H 4.96 0.014 1 894 127 111 TRP HB2 H 3.49 0.018 2 895 127 111 TRP HB3 H 2.96 0.015 2 896 127 111 TRP HD1 H 7.08 0.012 1 897 127 111 TRP HE1 H 10.16 0.003 1 898 127 111 TRP HE3 H 7.28 0.008 1 899 127 111 TRP HZ2 H 7.50 0.009 1 900 127 111 TRP HZ3 H 6.67 0.009 1 901 127 111 TRP HH2 H 6.85 0.013 1 902 127 111 TRP C C 176.3 0.052 1 903 127 111 TRP CA C 58.3 0.100 1 904 127 111 TRP CB C 29.6 0.084 1 905 127 111 TRP CD1 C 126.8 0.133 1 906 127 111 TRP CE3 C 122.9 0.118 1 907 127 111 TRP CZ2 C 114.5 0.073 1 908 127 111 TRP CZ3 C 120.4 0.093 1 909 127 111 TRP CH2 C 123.6 0.128 1 910 127 111 TRP N N 119.7 0.040 1 911 127 111 TRP NE1 N 131.0 0.014 1 912 128 112 ARG H H 8.50 0.004 1 913 128 112 ARG HA H 4.14 0.013 1 914 128 112 ARG HB2 H 1.74 0.013 2 915 128 112 ARG HB3 H 1.58 0.012 2 916 128 112 ARG HG2 H 1.53 0.014 2 917 128 112 ARG HG3 H 1.38 0.011 2 918 128 112 ARG HD2 H 3.08 0.013 1 919 128 112 ARG HD3 H 3.08 0.013 1 920 128 112 ARG HE H 7.47 0.003 1 921 128 112 ARG C C 174.1 0.052 1 922 128 112 ARG CA C 55.7 0.094 1 923 128 112 ARG CB C 32.9 0.092 1 924 128 112 ARG CG C 27.6 0.099 1 925 128 112 ARG CD C 43.3 0.086 1 926 128 112 ARG CZ C 159.2 0.052 1 927 128 112 ARG N N 127.3 0.033 1 928 128 112 ARG NE N 85.4 0.025 1 929 129 113 CYS H H 8.63 0.004 1 930 129 113 CYS HA H 5.01 0.014 1 931 129 113 CYS HB2 H 2.83 0.010 2 932 129 113 CYS HB3 H 2.60 0.001 2 933 129 113 CYS C C 172.8 0.052 1 934 129 113 CYS CA C 54.9 0.104 1 935 129 113 CYS CB C 47.6 0.050 1 936 129 113 CYS N N 123.5 0.043 1 937 130 114 GLU H H 8.21 0.005 1 938 130 114 GLU HA H 4.60 0.010 1 939 130 114 GLU HB2 H 1.94 0.012 2 940 130 114 GLU HB3 H 1.89 0.030 2 941 130 114 GLU HG2 H 2.25 0.004 2 942 130 114 GLU HG3 H 2.15 0.004 2 943 130 114 GLU C C 174.6 0.052 1 944 130 114 GLU CA C 54.4 0.089 1 945 130 114 GLU CB C 33.4 0.045 1 946 130 114 GLU CG C 35.5 0.070 1 947 130 114 GLU N N 119.2 0.036 1 948 131 115 TYR H H 9.01 0.004 1 949 131 115 TYR HA H 4.53 0.007 1 950 131 115 TYR HB2 H 3.20 0.011 2 951 131 115 TYR HB3 H 2.64 0.011 2 952 131 115 TYR HD1 H 7.11 0.011 1 953 131 115 TYR HD2 H 7.11 0.011 1 954 131 115 TYR HE1 H 6.51 0.010 1 955 131 115 TYR HE2 H 6.51 0.010 1 956 131 115 TYR C C 174.5 0.052 1 957 131 115 TYR CA C 60.1 0.072 1 958 131 115 TYR CB C 37.9 0.097 1 959 131 115 TYR CD1 C 132.5 0.107 1 960 131 115 TYR CD2 C 132.5 0.107 1 961 131 115 TYR CE1 C 117.2 0.099 1 962 131 115 TYR CE2 C 117.2 0.099 1 963 131 115 TYR N N 127.3 0.051 1 964 132 116 ASN H H 6.64 0.007 1 965 132 116 ASN HA H 4.69 0.011 1 966 132 116 ASN HB2 H 2.46 0.010 1 967 132 116 ASN HB3 H 2.46 0.010 1 968 132 116 ASN C C 173.5 0.052 1 969 132 116 ASN CA C 51.5 0.101 1 970 132 116 ASN CB C 40.0 0.085 1 971 132 116 ASN N N 127.2 0.030 1 972 133 117 ALA H H 8.63 0.004 1 973 133 117 ALA HA H 3.74 0.011 1 974 133 117 ALA HB H 1.44 0.010 1 975 133 117 ALA C C 178.6 0.052 1 976 133 117 ALA CA C 54.2 0.060 1 977 133 117 ALA CB C 18.0 0.041 1 978 133 117 ALA N N 127.4 0.036 1 979 134 118 ASP H H 7.90 0.005 1 980 134 118 ASP HA H 4.39 0.016 1 981 134 118 ASP HB2 H 2.65 0.019 2 982 134 118 ASP HB3 H 2.56 0.027 2 983 134 118 ASP C C 177.9 0.052 1 984 134 118 ASP CA C 56.3 0.087 1 985 134 118 ASP CB C 40.5 0.084 1 986 134 118 ASP N N 116.7 0.035 1 987 135 119 LEU H H 7.56 0.009 1 988 135 119 LEU N N 118.7 0.037 1 989 140 124 CYS HA H 5.35 0.011 1 990 140 124 CYS HB2 H 2.35 0.023 2 991 140 124 CYS HB3 H 0.82 0.020 2 992 140 124 CYS C C 172.8 0.052 1 993 140 124 CYS CA C 54.0 0.065 1 994 140 124 CYS CB C 48.7 0.085 1 995 141 125 GLY H H 8.06 0.004 1 996 141 125 GLY HA2 H 4.22 0.004 2 997 141 125 GLY HA3 H 4.03 0.031 2 998 141 125 GLY C C 171.2 0.052 1 999 141 125 GLY CA C 44.9 0.044 1 1000 141 125 GLY N N 110.1 0.041 1 1001 142 126 CYS H H 8.76 0.005 1 1002 142 126 CYS HA H 4.88 0.008 1 1003 142 126 CYS HB2 H 3.18 0.003 2 1004 142 126 CYS HB3 H 2.89 0.004 2 1005 142 126 CYS C C 172.6 0.052 1 1006 142 126 CYS CA C 58.0 0.081 1 1007 142 126 CYS CB C 41.0 0.142 1 1008 142 126 CYS N N 113.5 0.040 1 1009 143 127 GLU H H 7.47 0.005 1 1010 143 127 GLU HA H 4.13 0.008 1 1011 143 127 GLU HB2 H 2.17 0.016 2 1012 143 127 GLU HB3 H 1.90 0.017 2 1013 143 127 GLU HG2 H 2.45 0.017 2 1014 143 127 GLU HG3 H 2.34 0.017 2 1015 143 127 GLU C C 179.2 0.052 1 1016 143 127 GLU CA C 56.5 0.059 1 1017 143 127 GLU CB C 30.3 0.125 1 1018 143 127 GLU CG C 36.8 0.079 1 1019 143 127 GLU N N 116.2 0.051 1 1020 144 128 CYS H H 9.80 0.006 1 1021 144 128 CYS HA H 4.57 0.019 1 1022 144 128 CYS HB2 H 3.49 0.022 2 1023 144 128 CYS HB3 H 3.18 0.009 2 1024 144 128 CYS C C 177.2 0.052 1 1025 144 128 CYS CA C 57.5 0.090 1 1026 144 128 CYS CB C 39.7 0.068 1 1027 144 128 CYS N N 128.7 0.025 1 1028 145 129 SER H H 9.18 0.003 1 1029 145 129 SER HA H 4.36 0.007 1 1030 145 129 SER HB2 H 4.02 0.005 2 1031 145 129 SER HB3 H 3.96 0.002 2 1032 145 129 SER C C 174.9 0.052 1 1033 145 129 SER CA C 59.8 0.064 1 1034 145 129 SER CB C 61.9 0.075 1 1035 145 129 SER N N 115.3 0.034 1 1036 146 130 LYS H H 7.20 0.004 1 1037 146 130 LYS HA H 4.27 0.007 1 1038 146 130 LYS HB2 H 1.96 0.016 2 1039 146 130 LYS HB3 H 1.76 0.013 2 1040 146 130 LYS HG2 H 1.47 0.011 2 1041 146 130 LYS HG3 H 1.32 0.007 2 1042 146 130 LYS HD2 H 1.63 0.010 1 1043 146 130 LYS HD3 H 1.63 0.010 1 1044 146 130 LYS HE2 H 2.95 0.014 1 1045 146 130 LYS HE3 H 2.95 0.014 1 1046 146 130 LYS C C 176.2 0.052 1 1047 146 130 LYS CA C 55.6 0.051 1 1048 146 130 LYS CB C 32.0 0.045 1 1049 146 130 LYS CG C 25.4 0.068 1 1050 146 130 LYS CD C 28.0 0.055 1 1051 146 130 LYS CE C 41.6 0.099 1 1052 146 130 LYS N N 119.2 0.052 1 1053 147 131 LEU H H 7.38 0.007 1 1054 147 131 LEU HA H 4.54 0.010 1 1055 147 131 LEU HB2 H 1.77 0.011 2 1056 147 131 LEU HB3 H 1.71 0.015 2 1057 147 131 LEU HG H 1.78 0.008 1 1058 147 131 LEU HD1 H 0.84 0.008 2 1059 147 131 LEU HD2 H 0.80 0.010 2 1060 147 131 LEU CA C 53.2 0.096 1 1061 147 131 LEU CB C 42.1 0.085 1 1062 147 131 LEU CG C 29.4 0.073 1 1063 147 131 LEU CD1 C 25.6 0.090 1 1064 147 131 LEU CD2 C 25.6 0.015 1 1065 147 131 LEU N N 122.2 0.043 1 1066 148 132 PRO HA H 4.35 0.007 1 1067 148 132 PRO HB2 H 2.28 0.016 2 1068 148 132 PRO HB3 H 1.82 0.023 2 1069 148 132 PRO HG2 H 2.17 0.010 2 1070 148 132 PRO HG3 H 2.05 0.007 2 1071 148 132 PRO HD2 H 3.85 0.015 2 1072 148 132 PRO HD3 H 3.67 0.019 2 1073 148 132 PRO C C 176.2 0.052 1 1074 148 132 PRO CA C 62.3 0.077 1 1075 148 132 PRO CB C 31.3 0.065 1 1076 148 132 PRO CG C 27.1 0.094 1 1077 148 132 PRO CD C 49.8 0.089 1 1078 149 133 CYS H H 9.12 0.004 1 1079 149 133 CYS HA H 5.32 0.014 1 1080 149 133 CYS HB2 H 3.01 0.013 2 1081 149 133 CYS HB3 H 2.80 0.011 2 1082 149 133 CYS C C 172.3 0.052 1 1083 149 133 CYS CA C 53.2 0.106 1 1084 149 133 CYS CB C 33.7 0.112 1 1085 149 133 CYS N N 120.9 0.040 1 1086 150 134 ASN H H 7.57 0.005 1 1087 150 134 ASN HA H 4.32 0.012 1 1088 150 134 ASN HB2 H 3.14 0.009 2 1089 150 134 ASN HB3 H 3.02 0.017 2 1090 150 134 ASN HD21 H 7.66 0.003 1 1091 150 134 ASN HD22 H 7.18 0.005 1 1092 150 134 ASN C C 173.7 0.052 1 1093 150 134 ASN CA C 50.8 0.071 1 1094 150 134 ASN CB C 38.3 0.135 1 1095 150 134 ASN N N 125.8 0.036 1 1096 150 134 ASN ND2 N 113.5 0.045 1 1097 151 135 ASP H H 7.99 0.005 1 1098 151 135 ASP HA H 3.02 0.009 1 1099 151 135 ASP HB2 H 2.55 0.010 2 1100 151 135 ASP HB3 H 1.93 0.012 2 1101 151 135 ASP C C 176.2 0.052 1 1102 151 135 ASP CA C 54.8 0.078 1 1103 151 135 ASP CB C 39.0 0.087 1 1104 151 135 ASP N N 114.6 0.030 1 1105 152 136 GLU H H 7.87 0.005 1 1106 152 136 GLU HA H 4.32 0.009 1 1107 152 136 GLU HB2 H 2.20 0.011 2 1108 152 136 GLU HB3 H 1.93 0.011 2 1109 152 136 GLU HG2 H 2.19 0.004 1 1110 152 136 GLU HG3 H 2.19 0.004 1 1111 152 136 GLU C C 176.2 0.052 1 1112 152 136 GLU CA C 55.9 0.082 1 1113 152 136 GLU CB C 29.7 0.055 1 1114 152 136 GLU CG C 36.7 0.061 1 1115 152 136 GLU N N 118.0 0.054 1 1116 153 137 HIS H H 8.53 0.005 1 1117 153 137 HIS HA H 4.50 0.011 1 1118 153 137 HIS HB2 H 3.62 0.017 1 1119 153 137 HIS HB3 H 3.62 0.017 1 1120 153 137 HIS HD2 H 7.21 0.014 1 1121 153 137 HIS HE1 H 7.64 0.031 1 1122 153 137 HIS HE2 H 10.69 0.004 1 1123 153 137 HIS CA C 55.7 0.077 1 1124 153 137 HIS CB C 32.5 0.079 1 1125 153 137 HIS CD2 C 120.0 0.125 1 1126 153 137 HIS CE1 C 137.6 0.010 1 1127 153 137 HIS N N 126.7 0.039 1 1128 153 137 HIS NE2 N 163.7 0.062 1 1129 154 138 PRO HA H 4.47 0.010 1 1130 154 138 PRO HB2 H 2.51 0.007 2 1131 154 138 PRO HB3 H 2.05 0.009 2 1132 154 138 PRO HG2 H 1.92 0.011 1 1133 154 138 PRO HG3 H 1.92 0.011 1 1134 154 138 PRO HD2 H 3.61 0.013 2 1135 154 138 PRO HD3 H 2.89 0.015 2 1136 154 138 PRO C C 177.4 0.052 1 1137 154 138 PRO CA C 64.7 0.088 1 1138 154 138 PRO CB C 31.6 0.068 1 1139 154 138 PRO CG C 27.6 0.077 1 1140 154 138 PRO CD C 50.1 0.150 1 1141 155 139 CYS H H 11.10 0.003 1 1142 155 139 CYS HA H 4.37 0.011 1 1143 155 139 CYS HB2 H 3.37 0.018 2 1144 155 139 CYS HB3 H 2.94 0.013 2 1145 155 139 CYS C C 172.3 0.052 1 1146 155 139 CYS CA C 52.5 0.087 1 1147 155 139 CYS CB C 44.3 0.160 1 1148 155 139 CYS N N 116.2 0.037 1 1149 156 140 TYR H H 7.58 0.005 1 1150 156 140 TYR HA H 4.71 0.011 1 1151 156 140 TYR HB2 H 3.49 0.017 2 1152 156 140 TYR HB3 H 2.82 0.018 2 1153 156 140 TYR HD1 H 6.77 0.015 1 1154 156 140 TYR HD2 H 6.77 0.015 1 1155 156 140 TYR HE1 H 6.63 0.011 1 1156 156 140 TYR HE2 H 6.63 0.011 1 1157 156 140 TYR C C 175.9 0.052 1 1158 156 140 TYR CA C 59.5 0.098 1 1159 156 140 TYR CB C 38.9 0.187 1 1160 156 140 TYR CD1 C 133.1 0.112 1 1161 156 140 TYR CD2 C 133.1 0.112 1 1162 156 140 TYR CE1 C 117.1 0.059 1 1163 156 140 TYR CE2 C 117.1 0.059 1 1164 156 140 TYR N N 120.3 0.033 1 1165 157 141 ARG H H 8.14 0.004 1 1166 157 141 ARG HA H 4.06 0.011 1 1167 157 141 ARG HB2 H 1.92 0.010 2 1168 157 141 ARG HB3 H 1.73 0.023 2 1169 157 141 ARG HG2 H 1.53 0.007 2 1170 157 141 ARG HG3 H 1.39 0.015 2 1171 157 141 ARG HD2 H 3.35 0.010 2 1172 157 141 ARG HD3 H 2.80 0.013 2 1173 157 141 ARG HE H 7.08 0.004 1 1174 157 141 ARG HH11 H 6.71 0.014 1 1175 157 141 ARG HH12 H 6.71 0.014 1 1176 157 141 ARG HH21 H 6.36 0.002 1 1177 157 141 ARG HH22 H 6.36 0.002 1 1178 157 141 ARG C C 172.3 0.052 1 1179 157 141 ARG CA C 54.9 0.097 1 1180 157 141 ARG CB C 32.1 0.115 1 1181 157 141 ARG CG C 25.8 0.061 1 1182 157 141 ARG CD C 43.2 0.119 1 1183 157 141 ARG CZ C 158.7 0.052 1 1184 157 141 ARG N N 126.6 0.039 1 1185 157 141 ARG NE N 85.2 0.042 1 1186 158 142 LYS H H 8.28 0.004 1 1187 158 142 LYS HA H 4.73 0.011 1 1188 158 142 LYS HB2 H 1.58 0.010 2 1189 158 142 LYS HB3 H 1.38 0.010 2 1190 158 142 LYS HG2 H 1.07 0.008 2 1191 158 142 LYS HG3 H 0.96 0.024 2 1192 158 142 LYS HD2 H 1.60 0.004 1 1193 158 142 LYS HD3 H 1.60 0.004 1 1194 158 142 LYS HE2 H 2.88 0.008 1 1195 158 142 LYS HE3 H 2.88 0.008 1 1196 158 142 LYS C C 175.2 0.052 1 1197 158 142 LYS CA C 54.6 0.071 1 1198 158 142 LYS CB C 33.7 0.076 1 1199 158 142 LYS CG C 24.8 0.058 1 1200 158 142 LYS CD C 29.1 0.082 1 1201 158 142 LYS CE C 41.3 0.072 1 1202 158 142 LYS N N 120.5 0.027 1 1203 159 143 GLU H H 8.35 0.003 1 1204 159 143 GLU HA H 4.55 0.008 1 1205 159 143 GLU HB2 H 1.91 0.011 2 1206 159 143 GLU HB3 H 1.85 0.008 2 1207 159 143 GLU HG2 H 2.10 0.012 1 1208 159 143 GLU HG3 H 2.10 0.012 1 1209 159 143 GLU CA C 54.6 0.042 1 1210 159 143 GLU CB C 31.2 0.076 1 1211 159 143 GLU CG C 35.6 0.122 1 1212 159 143 GLU N N 125.7 0.027 1 1213 160 144 GLY H H 9.24 0.009 1 1214 160 144 GLY HA2 H 3.86 0.012 1 1215 160 144 GLY HA3 H 3.86 0.012 1 1216 160 144 GLY C C 175.0 0.052 1 1217 160 144 GLY CA C 46.7 0.118 1 1218 160 144 GLY N N 117.4 0.018 1 1219 161 145 GLY H H 8.56 0.006 1 1220 161 145 GLY HA2 H 4.12 0.008 2 1221 161 145 GLY HA3 H 3.63 0.010 2 1222 161 145 GLY C C 173.1 0.052 1 1223 161 145 GLY CA C 44.6 0.099 1 1224 161 145 GLY N N 106.3 0.028 1 1225 162 146 VAL H H 7.61 0.004 1 1226 162 146 VAL HA H 4.22 0.009 1 1227 162 146 VAL HB H 2.12 0.012 1 1228 162 146 VAL HG1 H 0.90 0.005 2 1229 162 146 VAL HG2 H 0.90 0.006 2 1230 162 146 VAL C C 175.0 0.052 1 1231 162 146 VAL CA C 61.3 0.061 1 1232 162 146 VAL CB C 33.3 0.072 1 1233 162 146 VAL CG1 C 20.9 0.024 2 1234 162 146 VAL CG2 C 20.3 0.026 2 1235 162 146 VAL N N 121.1 0.011 1 1236 163 147 VAL H H 8.53 0.002 1 1237 163 147 VAL HA H 4.37 0.011 1 1238 163 147 VAL HB H 1.86 0.009 1 1239 163 147 VAL HG1 H 0.83 0.012 2 1240 163 147 VAL HG2 H 0.94 0.010 2 1241 163 147 VAL C C 175.7 0.052 1 1242 163 147 VAL CA C 61.7 0.086 1 1243 163 147 VAL CB C 32.9 0.038 1 1244 163 147 VAL CG1 C 22.3 0.077 2 1245 163 147 VAL CG2 C 21.5 0.059 2 1246 163 147 VAL N N 127.9 0.024 1 1247 164 148 SER H H 8.40 0.003 1 1248 164 148 SER HA H 4.49 0.011 1 1249 164 148 SER HB2 H 3.73 0.010 2 1250 164 148 SER HB3 H 3.28 0.005 2 1251 164 148 SER C C 172.8 0.052 1 1252 164 148 SER CA C 56.5 0.049 1 1253 164 148 SER CB C 65.2 0.055 1 1254 164 148 SER N N 120.1 0.024 1 1255 165 149 CYS H H 8.61 0.002 1 1256 165 149 CYS HA H 4.46 0.015 1 1257 165 149 CYS HB2 H 2.20 0.010 2 1258 165 149 CYS HB3 H 1.76 0.013 2 1259 165 149 CYS C C 173.0 0.052 1 1260 165 149 CYS CA C 56.2 0.119 1 1261 165 149 CYS CB C 40.0 0.106 1 1262 165 149 CYS N N 119.9 0.037 1 1263 166 150 ASP H H 7.98 0.004 1 1264 166 150 ASP HA H 4.42 0.007 1 1265 166 150 ASP HB2 H 2.96 0.006 2 1266 166 150 ASP HB3 H 2.42 0.012 2 1267 166 150 ASP C C 177.5 0.052 1 1268 166 150 ASP CA C 54.0 0.038 1 1269 166 150 ASP CB C 40.7 0.050 1 1270 166 150 ASP N N 120.4 0.039 1 1271 167 151 CYS H H 9.08 0.005 1 1272 167 151 CYS HA H 4.39 0.013 1 1273 167 151 CYS HB2 H 3.61 0.009 2 1274 167 151 CYS HB3 H 2.91 0.017 2 1275 167 151 CYS C C 176.3 0.052 1 1276 167 151 CYS CA C 57.3 0.116 1 1277 167 151 CYS CB C 42.9 0.077 1 1278 167 151 CYS N N 127.3 0.043 1 1279 168 152 LYS H H 8.62 0.006 1 1280 168 152 LYS HA H 4.41 0.010 1 1281 168 152 LYS HB2 H 2.08 0.010 2 1282 168 152 LYS HB3 H 2.01 0.005 2 1283 168 152 LYS HG2 H 1.57 0.005 2 1284 168 152 LYS HG3 H 1.49 0.005 2 1285 168 152 LYS HD2 H 1.74 0.012 1 1286 168 152 LYS HD3 H 1.74 0.012 1 1287 168 152 LYS HE2 H 3.05 0.008 1 1288 168 152 LYS HE3 H 3.05 0.008 1 1289 168 152 LYS C C 177.7 0.052 1 1290 168 152 LYS CA C 56.9 0.063 1 1291 168 152 LYS CB C 31.2 0.087 1 1292 168 152 LYS CG C 25.2 0.048 1 1293 168 152 LYS CD C 28.0 0.072 1 1294 168 152 LYS CE C 41.6 0.032 1 1295 168 152 LYS N N 115.5 0.038 1 1296 169 153 THR H H 7.16 0.005 1 1297 169 153 THR HA H 4.29 0.010 1 1298 169 153 THR HB H 4.46 0.007 1 1299 169 153 THR HG2 H 1.11 0.010 1 1300 169 153 THR C C 174.4 0.052 1 1301 169 153 THR CA C 60.8 0.052 1 1302 169 153 THR CB C 67.5 0.047 1 1303 169 153 THR CG2 C 21.9 0.033 1 1304 169 153 THR N N 106.5 0.045 1 1305 170 154 ILE H H 6.87 0.004 1 1306 170 154 ILE HA H 4.11 0.012 1 1307 170 154 ILE HB H 1.65 0.016 1 1308 170 154 ILE HG12 H 1.73 0.020 2 1309 170 154 ILE HG13 H 0.67 0.012 2 1310 170 154 ILE HG2 H 0.87 0.016 1 1311 170 154 ILE HD1 H 0.69 0.013 1 1312 170 154 ILE C C 175.5 0.052 1 1313 170 154 ILE CA C 60.6 0.116 1 1314 170 154 ILE CB C 38.1 0.093 1 1315 170 154 ILE CG1 C 26.7 0.096 1 1316 170 154 ILE CG2 C 17.1 0.053 1 1317 170 154 ILE CD1 C 13.3 0.103 1 1318 170 154 ILE N N 123.5 0.035 1 1319 171 155 THR H H 8.78 0.005 1 1320 171 155 THR HA H 3.86 0.007 1 1321 171 155 THR HB H 3.94 0.006 1 1322 171 155 THR HG2 H 1.17 0.011 1 1323 171 155 THR C C 174.2 0.052 1 1324 171 155 THR CA C 64.4 0.074 1 1325 171 155 THR CB C 68.7 0.070 1 1326 171 155 THR CG2 C 22.0 0.047 1 1327 171 155 THR N N 125.7 0.041 1 1328 172 156 CYS H H 9.33 0.006 1 1329 172 156 CYS HA H 5.18 0.017 1 1330 172 156 CYS HB2 H 3.11 0.006 2 1331 172 156 CYS HB3 H 2.82 0.018 2 1332 172 156 CYS C C 171.9 0.052 1 1333 172 156 CYS CA C 54.3 0.145 1 1334 172 156 CYS CB C 33.5 0.044 1 1335 172 156 CYS N N 124.1 0.041 1 1336 173 157 ASN H H 7.79 0.004 1 1337 173 157 ASN HA H 4.33 0.010 1 1338 173 157 ASN HB2 H 3.13 0.016 1 1339 173 157 ASN HB3 H 3.13 0.016 1 1340 173 157 ASN HD21 H 7.73 0.006 1 1341 173 157 ASN HD22 H 7.19 0.004 1 1342 173 157 ASN CA C 51.0 0.113 1 1343 173 157 ASN CB C 37.7 0.192 1 1344 173 157 ASN N N 127.6 0.056 1 1345 173 157 ASN ND2 N 113.7 0.054 1 1346 174 158 GLU H H 9.05 0.006 1 1347 174 158 GLU HA H 2.66 0.011 1 1348 174 158 GLU HB2 H 1.63 0.013 1 1349 174 158 GLU HB3 H 1.63 0.013 1 1350 174 158 GLU HG2 H 2.01 0.011 2 1351 174 158 GLU HG3 H 1.77 0.008 2 1352 174 158 GLU C C 175.7 0.052 1 1353 174 158 GLU CA C 58.5 0.071 1 1354 174 158 GLU CB C 28.2 0.046 1 1355 174 158 GLU CG C 36.0 0.034 1 1356 174 158 GLU N N 115.7 0.050 1 1357 175 159 ASP H H 7.86 0.005 1 1358 175 159 ASP HA H 4.72 0.005 1 1359 175 159 ASP HB2 H 2.82 0.001 2 1360 175 159 ASP HB3 H 2.48 0.006 2 1361 175 159 ASP C C 176.0 0.052 1 1362 175 159 ASP CA C 54.1 0.069 1 1363 175 159 ASP CB C 41.1 0.054 1 1364 175 159 ASP N N 116.7 0.043 1 1365 176 160 HIS H H 8.45 0.005 1 1366 176 160 HIS HA H 4.48 0.018 1 1367 176 160 HIS HB2 H 3.81 0.005 2 1368 176 160 HIS HB3 H 3.60 0.019 2 1369 176 160 HIS HD2 H 7.12 0.010 1 1370 176 160 HIS HE1 H 7.88 0.001 1 1371 176 160 HIS HE2 H 11.14 0.006 1 1372 176 160 HIS CA C 55.8 0.135 1 1373 176 160 HIS CB C 32.4 0.120 1 1374 176 160 HIS CD2 C 119.9 0.064 1 1375 176 160 HIS CE1 C 138.6 0.004 1 1376 176 160 HIS N N 126.7 0.034 1 1377 176 160 HIS NE2 N 164.0 0.056 1 1378 177 161 PRO HA H 4.56 0.012 1 1379 177 161 PRO HB2 H 2.54 0.012 2 1380 177 161 PRO HB3 H 2.11 0.008 2 1381 177 161 PRO HG2 H 2.07 0.006 2 1382 177 161 PRO HG3 H 1.91 0.012 2 1383 177 161 PRO HD2 H 3.63 0.029 2 1384 177 161 PRO HD3 H 2.61 0.015 2 1385 177 161 PRO C C 177.7 0.052 1 1386 177 161 PRO CA C 64.4 0.114 1 1387 177 161 PRO CB C 32.6 0.119 1 1388 177 161 PRO CG C 27.2 0.100 1 1389 177 161 PRO CD C 50.3 0.093 1 1390 178 162 CYS H H 11.81 0.005 1 1391 178 162 CYS HA H 4.92 0.020 1 1392 178 162 CYS HB2 H 3.93 0.014 2 1393 178 162 CYS HB3 H 2.95 0.013 2 1394 178 162 CYS C C 174.0 0.052 1 1395 178 162 CYS CA C 52.3 0.126 1 1396 178 162 CYS CB C 46.6 0.152 1 1397 178 162 CYS N N 118.8 0.055 1 1398 179 163 TYR H H 8.02 0.004 1 1399 179 163 TYR HA H 4.44 0.009 1 1400 179 163 TYR HB2 H 2.88 0.014 1 1401 179 163 TYR HB3 H 2.88 0.014 1 1402 179 163 TYR HD1 H 6.87 0.012 1 1403 179 163 TYR HD2 H 6.87 0.012 1 1404 179 163 TYR HE1 H 6.66 0.028 1 1405 179 163 TYR HE2 H 6.66 0.028 1 1406 179 163 TYR C C 175.5 0.052 1 1407 179 163 TYR CA C 60.2 0.108 1 1408 179 163 TYR CB C 38.3 0.076 1 1409 179 163 TYR CD1 C 133.2 0.134 1 1410 179 163 TYR CD2 C 133.2 0.134 1 1411 179 163 TYR CE1 C 117.0 0.078 1 1412 179 163 TYR CE2 C 117.0 0.078 1 1413 179 163 TYR N N 122.7 0.024 1 1414 180 164 HIS H H 7.79 0.005 1 1415 180 164 HIS HA H 4.59 0.006 1 1416 180 164 HIS HB2 H 3.28 0.016 1 1417 180 164 HIS HB3 H 3.28 0.016 1 1418 180 164 HIS C C 170.7 0.052 1 1419 180 164 HIS CA C 55.0 0.094 1 1420 180 164 HIS CB C 30.0 0.062 1 1421 180 164 HIS N N 123.7 0.040 1 1422 181 165 SER H H 8.32 0.003 1 1423 181 165 SER HA H 5.27 0.013 1 1424 181 165 SER HB2 H 3.71 0.008 2 1425 181 165 SER HB3 H 3.59 0.014 2 1426 181 165 SER C C 172.8 0.052 1 1427 181 165 SER CA C 55.6 0.065 1 1428 181 165 SER CB C 65.6 0.082 1 1429 181 165 SER N N 112.7 0.044 1 1430 182 166 TYR H H 8.69 0.004 1 1431 182 166 TYR HA H 4.76 0.011 1 1432 182 166 TYR HB2 H 2.69 0.013 2 1433 182 166 TYR HB3 H 2.62 0.016 2 1434 182 166 TYR HD1 H 6.39 0.015 1 1435 182 166 TYR HD2 H 6.39 0.015 1 1436 182 166 TYR HE1 H 6.41 0.015 1 1437 182 166 TYR HE2 H 6.41 0.015 1 1438 182 166 TYR C C 171.4 0.052 1 1439 182 166 TYR CA C 55.7 0.093 1 1440 182 166 TYR CB C 38.6 0.091 1 1441 182 166 TYR CD1 C 132.9 0.064 1 1442 182 166 TYR CD2 C 132.9 0.064 1 1443 182 166 TYR CE1 C 117.6 0.120 1 1444 182 166 TYR CE2 C 117.6 0.120 1 1445 182 166 TYR N N 119.6 0.038 1 1446 183 167 GLU H H 8.46 0.003 1 1447 183 167 GLU HA H 4.96 0.013 1 1448 183 167 GLU HB2 H 1.84 0.014 1 1449 183 167 GLU HB3 H 1.84 0.014 1 1450 183 167 GLU HG2 H 2.06 0.007 2 1451 183 167 GLU HG3 H 1.97 0.008 2 1452 183 167 GLU C C 176.0 0.052 1 1453 183 167 GLU CA C 54.3 0.068 1 1454 183 167 GLU CB C 31.6 0.035 1 1455 183 167 GLU CG C 36.1 0.052 1 1456 183 167 GLU N N 119.6 0.038 1 1457 184 168 GLU H H 8.85 0.003 1 1458 184 168 GLU HA H 4.53 0.009 1 1459 184 168 GLU HB2 H 1.99 0.011 2 1460 184 168 GLU HB3 H 1.87 0.007 2 1461 184 168 GLU HG2 H 2.28 0.017 2 1462 184 168 GLU HG3 H 2.13 0.007 2 1463 184 168 GLU C C 174.9 0.052 1 1464 184 168 GLU CA C 55.5 0.055 1 1465 184 168 GLU CB C 33.0 0.071 1 1466 184 168 GLU CG C 36.3 0.083 1 1467 184 168 GLU N N 125.3 0.040 1 1468 185 169 ASP H H 9.45 0.004 1 1469 185 169 ASP HA H 4.30 0.010 1 1470 185 169 ASP HB2 H 2.99 0.011 2 1471 185 169 ASP HB3 H 2.62 0.011 2 1472 185 169 ASP C C 175.4 0.052 1 1473 185 169 ASP CA C 55.1 0.049 1 1474 185 169 ASP CB C 39.6 0.038 1 1475 185 169 ASP N N 127.2 0.028 1 1476 186 170 GLY H H 8.72 0.004 1 1477 186 170 GLY HA2 H 4.12 0.008 2 1478 186 170 GLY HA3 H 3.63 0.007 2 1479 186 170 GLY C C 173.6 0.052 1 1480 186 170 GLY CA C 45.0 0.101 1 1481 186 170 GLY N N 103.3 0.031 1 1482 187 171 VAL H H 7.76 0.003 1 1483 187 171 VAL HA H 4.36 0.012 1 1484 187 171 VAL HB H 2.12 0.010 1 1485 187 171 VAL HG1 H 0.90 0.005 2 1486 187 171 VAL HG2 H 0.90 0.002 2 1487 187 171 VAL C C 174.4 0.052 1 1488 187 171 VAL CA C 60.3 0.059 1 1489 187 171 VAL CB C 34.3 0.052 1 1490 187 171 VAL CG1 C 20.1 0.150 1 1491 187 171 VAL CG2 C 20.1 0.038 1 1492 187 171 VAL N N 120.2 0.027 1 1493 188 172 THR H H 8.40 0.003 1 1494 188 172 THR HA H 4.46 0.013 1 1495 188 172 THR HB H 3.87 0.006 1 1496 188 172 THR HG2 H 1.10 0.012 1 1497 188 172 THR C C 173.5 0.052 1 1498 188 172 THR CA C 62.9 0.099 1 1499 188 172 THR CB C 68.4 0.046 1 1500 188 172 THR CG2 C 21.5 0.053 1 1501 188 172 THR N N 121.5 0.022 1 1502 189 173 LYS H H 8.91 0.004 1 1503 189 173 LYS HA H 4.41 0.009 1 1504 189 173 LYS HB2 H 1.52 0.010 2 1505 189 173 LYS HB3 H 0.40 0.018 2 1506 189 173 LYS HG2 H 1.12 0.009 1 1507 189 173 LYS HG3 H 1.12 0.009 1 1508 189 173 LYS HD2 H 1.57 0.028 1 1509 189 173 LYS HD3 H 1.57 0.028 1 1510 189 173 LYS HE2 H 2.90 0.010 1 1511 189 173 LYS HE3 H 2.90 0.010 1 1512 189 173 LYS C C 173.1 0.052 1 1513 189 173 LYS CA C 54.1 0.055 1 1514 189 173 LYS CB C 35.4 0.061 1 1515 189 173 LYS CG C 25.4 0.084 1 1516 189 173 LYS CD C 29.1 0.058 1 1517 189 173 LYS CE C 41.7 0.130 1 1518 189 173 LYS N N 130.0 0.050 1 1519 190 174 SER H H 7.80 0.004 1 1520 190 174 SER HA H 5.09 0.013 1 1521 190 174 SER HB2 H 3.57 0.010 2 1522 190 174 SER HB3 H 3.33 0.015 2 1523 190 174 SER C C 173.5 0.052 1 1524 190 174 SER CA C 56.9 0.085 1 1525 190 174 SER CB C 65.7 0.089 1 1526 190 174 SER N N 109.2 0.022 1 1527 191 175 ASP H H 8.09 0.005 1 1528 191 175 ASP HA H 4.65 0.021 1 1529 191 175 ASP HB2 H 3.12 0.013 2 1530 191 175 ASP HB3 H 2.93 0.018 2 1531 191 175 ASP C C 171.0 0.052 1 1532 191 175 ASP CA C 54.3 0.085 1 1533 191 175 ASP CB C 40.8 0.061 1 1534 191 175 ASP N N 114.4 0.030 1 1535 192 176 CYS H H 8.54 0.004 1 1536 192 176 CYS HA H 4.44 0.006 1 1537 192 176 CYS HB2 H 2.12 0.013 2 1538 192 176 CYS HB3 H 1.91 0.017 2 1539 192 176 CYS C C 173.5 0.052 1 1540 192 176 CYS CA C 54.9 0.170 1 1541 192 176 CYS CB C 40.2 0.131 1 1542 192 176 CYS N N 114.1 0.031 1 1543 193 177 ASP H H 9.55 0.003 1 1544 193 177 ASP HA H 4.09 0.012 1 1545 193 177 ASP HB2 H 2.27 0.014 2 1546 193 177 ASP HB3 H 1.86 0.005 2 1547 193 177 ASP C C 177.4 0.052 1 1548 193 177 ASP CA C 55.4 0.107 1 1549 193 177 ASP CB C 41.5 0.098 1 1550 193 177 ASP N N 124.7 0.023 1 1551 194 178 CYS H H 8.66 0.006 1 1552 194 178 CYS HA H 4.74 0.014 1 1553 194 178 CYS HB2 H 3.76 0.026 2 1554 194 178 CYS HB3 H 3.39 0.015 2 1555 194 178 CYS C C 174.6 0.052 1 1556 194 178 CYS CA C 55.0 0.075 1 1557 194 178 CYS CB C 41.7 0.100 1 1558 194 178 CYS N N 123.4 0.045 1 1559 195 179 GLU H H 9.25 0.005 1 1560 195 179 GLU HA H 4.51 0.016 1 1561 195 179 GLU HB2 H 2.09 0.011 1 1562 195 179 GLU HB3 H 2.09 0.011 1 1563 195 179 GLU HG2 H 2.34 0.012 1 1564 195 179 GLU HG3 H 2.34 0.012 1 1565 195 179 GLU C C 173.9 0.052 1 1566 195 179 GLU CA C 55.3 0.107 1 1567 195 179 GLU CB C 27.3 0.065 1 1568 195 179 GLU CG C 38.2 0.051 1 1569 195 179 GLU N N 117.7 0.058 1 1570 196 180 HIS H H 6.96 0.003 1 1571 196 180 HIS HA H 4.60 0.016 1 1572 196 180 HIS HB2 H 3.03 0.014 2 1573 196 180 HIS HB3 H 2.43 0.015 2 1574 196 180 HIS HD1 H 11.92 0.005 1 1575 196 180 HIS HE1 H 8.17 0.005 1 1576 196 180 HIS C C 172.2 0.052 1 1577 196 180 HIS CA C 52.8 0.101 1 1578 196 180 HIS CB C 30.1 0.096 1 1579 196 180 HIS CE1 C 143.9 0.088 1 1580 196 180 HIS N N 108.0 0.034 1 1581 196 180 HIS ND1 N 174.5 0.069 1 1582 197 181 SER H H 9.01 0.005 1 1583 197 181 SER HA H 4.17 0.017 1 1584 197 181 SER HB2 H 4.30 0.016 2 1585 197 181 SER HB3 H 4.05 0.016 2 1586 197 181 SER CA C 54.0 0.100 1 1587 197 181 SER CB C 63.3 0.111 1 1588 197 181 SER N N 114.1 0.036 1 1589 198 182 PRO HD2 H 3.40 0.011 2 1590 198 182 PRO HD3 H 3.76 0.005 2 1591 198 182 PRO C C 175.6 0.052 1 1592 198 182 PRO CA C 63.1 0.130 1 1593 198 182 PRO CB C 31.8 0.039 1 1594 198 182 PRO CD C 50.9 0.164 1 1595 199 183 GLY H H 7.40 0.004 1 1596 199 183 GLY HA2 H 3.86 0.009 1 1597 199 183 GLY HA3 H 3.86 0.009 1 1598 199 183 GLY CA C 43.0 0.112 1 1599 199 183 GLY N N 106.3 0.036 1 1600 200 184 PRO HA H 4.34 0.010 1 1601 200 184 PRO HB2 H 2.34 0.011 2 1602 200 184 PRO HB3 H 2.04 0.009 2 1603 200 184 PRO HG2 H 2.15 0.031 1 1604 200 184 PRO HG3 H 2.15 0.031 1 1605 200 184 PRO HD2 H 3.87 0.011 1 1606 200 184 PRO HD3 H 3.87 0.011 1 1607 200 184 PRO C C 176.5 0.052 1 1608 200 184 PRO CA C 62.8 0.038 1 1609 200 184 PRO CB C 32.2 0.098 1 1610 200 184 PRO CG C 26.7 0.035 1 1611 200 184 PRO CD C 49.2 0.230 1 1612 201 185 SER H H 8.77 0.004 1 1613 201 185 SER HA H 4.55 0.007 1 1614 201 185 SER HB2 H 3.94 0.008 2 1615 201 185 SER HB3 H 3.90 0.003 2 1616 201 185 SER C C 173.1 0.052 1 1617 201 185 SER CA C 58.0 0.056 1 1618 201 185 SER CB C 63.8 0.052 1 1619 201 185 SER N N 117.3 0.024 1 1620 202 186 GLU H H 8.08 0.003 1 1621 202 186 GLU HA H 4.17 0.006 1 1622 202 186 GLU HB2 H 2.09 0.006 2 1623 202 186 GLU HB3 H 1.93 0.007 2 1624 202 186 GLU HG2 H 2.22 0.012 1 1625 202 186 GLU HG3 H 2.22 0.012 1 1626 202 186 GLU CA C 57.6 0.078 1 1627 202 186 GLU CB C 30.7 0.032 1 1628 202 186 GLU CG C 36.1 0.041 1 1629 202 186 GLU N N 127.1 0.017 1 stop_ save_