data_26509 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments and secondary structure determination for the human PHF6-ePHD1 ; _BMRB_accession_number 26509 _BMRB_flat_file_name bmr26509.str _Entry_type original _Submission_date 2015-02-14 _Accession_date 2015-02-14 _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 Bao Yun . . 2 Liu Zhonghua . . 3 Zhang Jiahai . . 4 Wu Jihui . . 5 Shi Yunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 624 "13C chemical shifts" 464 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-13 update BMRB 'update entry citation' 2015-04-10 original author 'original release' stop_ _Original_release_date 2015-04-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignments and secondary structure of the human PHF6-ePHD1 domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26286319 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bao Yun . . 2 Liu Zhonghua . . 3 Zhang Jiahai . . 4 Wu Jihui . . 5 Shi Yunyu . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1 _Page_last 4 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PHF6-ePHD1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PHF6-ePHD1 $PHF6-ePHD1 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_PHF6-ePHD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PHF6-ePHD1 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; TRQRKCGFCKSNRDKECGQL LISENQKVAAHHKCMLFSSA LVSSHSDNESLGGFSIEDVQ KEIKRGTKLMCSLCHCPGAT IGCDVKTCHRTYHYHCALHD KAQIREKPSQGIYMVYCRKH KKTAHNS ; loop_ _Residue_seq_code _Residue_label 1 THR 2 ARG 3 GLN 4 ARG 5 LYS 6 CYS 7 GLY 8 PHE 9 CYS 10 LYS 11 SER 12 ASN 13 ARG 14 ASP 15 LYS 16 GLU 17 CYS 18 GLY 19 GLN 20 LEU 21 LEU 22 ILE 23 SER 24 GLU 25 ASN 26 GLN 27 LYS 28 VAL 29 ALA 30 ALA 31 HIS 32 HIS 33 LYS 34 CYS 35 MET 36 LEU 37 PHE 38 SER 39 SER 40 ALA 41 LEU 42 VAL 43 SER 44 SER 45 HIS 46 SER 47 ASP 48 ASN 49 GLU 50 SER 51 LEU 52 GLY 53 GLY 54 PHE 55 SER 56 ILE 57 GLU 58 ASP 59 VAL 60 GLN 61 LYS 62 GLU 63 ILE 64 LYS 65 ARG 66 GLY 67 THR 68 LYS 69 LEU 70 MET 71 CYS 72 SER 73 LEU 74 CYS 75 HIS 76 CYS 77 PRO 78 GLY 79 ALA 80 THR 81 ILE 82 GLY 83 CYS 84 ASP 85 VAL 86 LYS 87 THR 88 CYS 89 HIS 90 ARG 91 THR 92 TYR 93 HIS 94 TYR 95 HIS 96 CYS 97 ALA 98 LEU 99 HIS 100 ASP 101 LYS 102 ALA 103 GLN 104 ILE 105 ARG 106 GLU 107 LYS 108 PRO 109 SER 110 GLN 111 GLY 112 ILE 113 TYR 114 MET 115 VAL 116 TYR 117 CYS 118 ARG 119 LYS 120 HIS 121 LYS 122 LYS 123 THR 124 ALA 125 HIS 126 ASN 127 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PHF6-ePHD1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $PHF6-ePHD1 'recombinant technology' . Escherichia coli . pGEX-4T-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PHF6-ePHD1 0.6 mM '[U-13C; U-15N]' 'phosphate sodium' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 289 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 PHF6-ePHD1 _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 1 1 THR H H 8.243 0.006 1 2 1 1 THR HA H 4.263 0.01 1 3 1 1 THR HB H 4.162 0.012 1 4 1 1 THR HG2 H 1.161 0.007 1 5 1 1 THR C C 174.297 0.009 1 6 1 1 THR CA C 62.138 0.146 1 7 1 1 THR CB C 69.677 0.056 1 8 1 1 THR CG2 C 21.774 0.198 1 9 1 1 THR N N 116.169 0.03 1 10 2 2 ARG H H 8.36 0.009 1 11 2 2 ARG HA H 4.296 0.011 1 12 2 2 ARG HB2 H 1.8 0.011 1 13 2 2 ARG HB3 H 1.724 0.005 1 14 2 2 ARG HG2 H 1.577 0.01 1 15 2 2 ARG HG3 H 1.577 0.01 1 16 2 2 ARG HD2 H 3.145 0.01 1 17 2 2 ARG HD3 H 3.145 0.01 1 18 2 2 ARG C C 175.832 0.002 1 19 2 2 ARG CA C 56.032 0.136 1 20 2 2 ARG CB C 30.399 0.351 1 21 2 2 ARG CG C 27.885 0.132 1 22 2 2 ARG CD C 43.245 0.023 1 23 2 2 ARG N N 123.566 0.057 1 24 3 3 GLN H H 8.413 0.013 1 25 3 3 GLN HA H 4.236 0.009 1 26 3 3 GLN HB2 H 1.986 0.004 1 27 3 3 GLN HB3 H 1.88 0.017 1 28 3 3 GLN HG2 H 2.303 0.013 1 29 3 3 GLN HG3 H 2.303 0.013 1 30 3 3 GLN HE21 H 7.544 0.007 1 31 3 3 GLN HE22 H 6.897 0.014 1 32 3 3 GLN C C 175.584 0.012 1 33 3 3 GLN CA C 55.676 0.091 1 34 3 3 GLN CB C 29.616 0.245 1 35 3 3 GLN CG C 33.761 0.068 1 36 3 3 GLN N N 121.825 0.093 1 37 3 3 GLN NE2 N 112.677 0.33 1 38 4 4 ARG H H 8.27 0.011 1 39 4 4 ARG HA H 4.61 0 1 40 4 4 ARG HB2 H 1.933 0.008 1 41 4 4 ARG HB3 H 1.756 0 1 42 4 4 ARG C C 174.347 0 1 43 4 4 ARG CA C 56.252 0.045 1 44 4 4 ARG CB C 30.073 0.005 1 45 4 4 ARG N N 123.18 0.073 1 46 5 5 LYS H H 8.419 0.016 1 47 5 5 LYS N N 122.95 0.086 1 48 6 6 CYS HA H 3.714 0.016 1 49 6 6 CYS HB2 H 2.027 0.011 1 50 6 6 CYS HB3 H 2.027 0.011 1 51 6 6 CYS C C 177.998 0 1 52 6 6 CYS CA C 58.979 0.109 1 53 6 6 CYS CB C 31.358 0.138 1 54 7 7 GLY H H 9.177 0.007 1 55 7 7 GLY HA2 H 3.963 0.008 1 56 7 7 GLY HA3 H 3.463 0.013 1 57 7 7 GLY C C 173.064 0.015 1 58 7 7 GLY CA C 46.728 0.131 1 59 7 7 GLY N N 115.191 0.071 1 60 8 8 PHE H H 9.16 0.01 1 61 8 8 PHE HA H 4.819 0.013 1 62 8 8 PHE HB2 H 3.927 0.004 1 63 8 8 PHE HB3 H 3.189 0.003 1 64 8 8 PHE C C 175.851 0.004 1 65 8 8 PHE CA C 60.841 0.099 1 66 8 8 PHE CB C 40.388 0.123 1 67 8 8 PHE N N 120.59 0.115 1 68 9 9 CYS H H 8.313 0.011 1 69 9 9 CYS HA H 4.597 0.012 1 70 9 9 CYS HB2 H 3.188 0.004 1 71 9 9 CYS HB3 H 3.188 0.004 1 72 9 9 CYS C C 176.022 0.003 1 73 9 9 CYS CA C 59.217 0.074 1 74 9 9 CYS CB C 31.81 0.082 1 75 9 9 CYS N N 116.59 0.088 1 76 10 10 LYS H H 8.169 0.011 1 77 10 10 LYS HA H 4.042 0 1 78 10 10 LYS HB2 H 1.999 0.01 1 79 10 10 LYS HB3 H 1.999 0.01 1 80 10 10 LYS C C 174.894 0.405 1 81 10 10 LYS CA C 57.189 0.134 1 82 10 10 LYS CB C 30.002 0 1 83 10 10 LYS N N 119.219 0.118 1 84 12 12 ASN HA H 5.12 0.021 1 85 12 12 ASN HB2 H 2.915 0.005 1 86 12 12 ASN HB3 H 2.88 0.004 1 87 12 12 ASN HD21 H 7.753 0.012 1 88 12 12 ASN HD22 H 6.94 0.007 1 89 12 12 ASN C C 175.692 0 1 90 12 12 ASN CA C 52.658 0.086 1 91 12 12 ASN CB C 38.292 0.004 1 92 12 12 ASN ND2 N 112.065 0.088 1 93 13 13 ARG H H 7.998 0.012 1 94 13 13 ARG HA H 4.491 0.011 1 95 13 13 ARG HB2 H 1.953 0.008 1 96 13 13 ARG HB3 H 1.535 0.003 1 97 13 13 ARG HG2 H 1.417 0.013 1 98 13 13 ARG HG3 H 1.417 0.013 1 99 13 13 ARG HD2 H 2.857 0.013 1 100 13 13 ARG HD3 H 2.857 0.013 1 101 13 13 ARG C C 175.849 0.011 1 102 13 13 ARG CA C 55.535 0.143 1 103 13 13 ARG CB C 29.143 0.178 1 104 13 13 ARG CG C 26.908 0.083 1 105 13 13 ARG CD C 42.882 0.082 1 106 13 13 ARG N N 120.965 0.073 1 107 14 14 ASP H H 8.589 0.007 1 108 14 14 ASP HA H 4.336 0.01 1 109 14 14 ASP HB2 H 2.584 0.015 1 110 14 14 ASP HB3 H 2.584 0.015 1 111 14 14 ASP C C 177.149 0.002 1 112 14 14 ASP CA C 55.292 0.085 1 113 14 14 ASP CB C 40.438 0.134 1 114 14 14 ASP N N 123.726 0.075 1 115 15 15 LYS H H 8.617 0.008 1 116 15 15 LYS HA H 4.04 0.009 1 117 15 15 LYS HB2 H 1.861 0.004 1 118 15 15 LYS HB3 H 1.837 0.007 1 119 15 15 LYS HG2 H 1.437 0.008 1 120 15 15 LYS HG3 H 1.401 0.006 1 121 15 15 LYS HD2 H 1.657 0.014 1 122 15 15 LYS HD3 H 1.657 0.014 1 123 15 15 LYS HE2 H 2.964 0.007 1 124 15 15 LYS HE3 H 2.964 0.007 1 125 15 15 LYS C C 178.517 0.001 1 126 15 15 LYS CA C 58.885 0.069 1 127 15 15 LYS CB C 31.862 0.04 1 128 15 15 LYS CG C 24.831 0.034 1 129 15 15 LYS CD C 28.923 0.106 1 130 15 15 LYS CE C 41.895 0 1 131 15 15 LYS N N 122.219 0.096 1 132 16 16 GLU H H 8.255 0.012 1 133 16 16 GLU HA H 4.157 0.009 1 134 16 16 GLU HB2 H 1.916 0.016 1 135 16 16 GLU HB3 H 1.916 0.016 1 136 16 16 GLU HG2 H 2.229 0.001 1 137 16 16 GLU HG3 H 2.151 0.002 1 138 16 16 GLU HE2 H 2.804 0 1 139 16 16 GLU C C 177.482 0.017 1 140 16 16 GLU CA C 58.721 0.092 1 141 16 16 GLU CB C 30.409 0.159 1 142 16 16 GLU CG C 36.56 0.125 1 143 16 16 GLU N N 117.987 0.081 1 144 17 17 CYS H H 8.045 0.02 1 145 17 17 CYS HA H 4.028 0.009 1 146 17 17 CYS HB2 H 3.005 0.011 1 147 17 17 CYS HB3 H 3.005 0.011 1 148 17 17 CYS HG H 1.656 0 1 149 17 17 CYS C C 173.538 0 1 150 17 17 CYS CA C 59.274 0.154 1 151 17 17 CYS CB C 27.918 0.105 1 152 17 17 CYS N N 113.002 0.081 1 153 18 18 GLY H H 7.525 0.017 1 154 18 18 GLY HA2 H 4.299 0.003 1 155 18 18 GLY HA3 H 4.228 1.15 1 156 18 18 GLY C C 171.06 0.008 1 157 18 18 GLY CA C 43.822 0.089 1 158 18 18 GLY N N 106.889 0.066 1 159 19 19 GLN H H 8.463 0.009 1 160 19 19 GLN HA H 4.014 0.011 1 161 19 19 GLN HB2 H 2.035 0.011 1 162 19 19 GLN HB3 H 1.888 0.011 1 163 19 19 GLN HG2 H 2.341 0.012 1 164 19 19 GLN HG3 H 2.341 0.012 1 165 19 19 GLN HE21 H 7.602 0.007 1 166 19 19 GLN HE22 H 6.934 0.007 1 167 19 19 GLN C C 175.864 0.005 1 168 19 19 GLN CA C 56.584 0.071 1 169 19 19 GLN CB C 29.518 0.134 1 170 19 19 GLN CG C 33.411 0.097 1 171 19 19 GLN N N 115.791 0.066 1 172 19 19 GLN NE2 N 112.38 0.282 1 173 20 20 LEU H H 8.776 0.015 1 174 20 20 LEU HA H 4.053 0.014 1 175 20 20 LEU HB2 H 1.899 0.011 1 176 20 20 LEU HB3 H 1.211 0.019 1 177 20 20 LEU HG H 1.047 0.013 1 178 20 20 LEU HD1 H 0.634 0.011 1 179 20 20 LEU HD2 H 0.163 0.013 1 180 20 20 LEU C C 174.308 0 1 181 20 20 LEU CA C 55.35 0.317 1 182 20 20 LEU CB C 41.136 0.066 1 183 20 20 LEU CG C 26.792 0.052 1 184 20 20 LEU CD1 C 25.939 0.018 1 185 20 20 LEU CD2 C 22.85 0.04 1 186 20 20 LEU N N 124.805 0.054 1 187 21 21 LEU H H 8.44 0.012 1 188 21 21 LEU HA H 4.551 0.009 1 189 21 21 LEU HB2 H 1.947 0.01 1 190 21 21 LEU HB3 H 1.435 0.011 1 191 21 21 LEU HG H 1.686 0.009 1 192 21 21 LEU HD1 H 0.767 0.011 1 193 21 21 LEU HD2 H 0.695 0.009 1 194 21 21 LEU C C 174.478 0 1 195 21 21 LEU CA C 54.334 0.127 1 196 21 21 LEU CB C 41.895 0.147 1 197 21 21 LEU CG C 27.295 0.055 1 198 21 21 LEU CD1 C 23.034 0.044 1 199 21 21 LEU CD2 C 25.352 0.056 1 200 21 21 LEU N N 133.429 0.063 1 201 22 22 ILE H H 8.247 0.007 1 202 22 22 ILE HA H 4.766 0.012 1 203 22 22 ILE HB H 1.557 0.012 1 204 22 22 ILE HG12 H 1.409 0.007 1 205 22 22 ILE HG13 H 0.822 0.017 1 206 22 22 ILE HG2 H 0.957 0.009 1 207 22 22 ILE HD1 H 0.769 0.008 1 208 22 22 ILE C C 175.838 0.009 1 209 22 22 ILE CA C 59.598 0.033 1 210 22 22 ILE CB C 41.019 0.187 1 211 22 22 ILE CG1 C 27.75 0.012 1 212 22 22 ILE CG2 C 17.185 0.018 1 213 22 22 ILE CD1 C 13.91 0.011 1 214 22 22 ILE N N 120.731 0.111 1 215 23 23 SER H H 8.945 0.011 1 216 23 23 SER HA H 4.459 0.01 1 217 23 23 SER HB2 H 3.796 0.004 1 218 23 23 SER HB3 H 3.796 0.004 1 219 23 23 SER C C 174.194 0 1 220 23 23 SER CA C 58.286 0.238 1 221 23 23 SER CB C 63.908 0.07 1 222 23 23 SER N N 122.629 0.123 1 223 24 24 GLU H H 8.646 0.007 1 224 24 24 GLU CA C 56.275 0.058 1 225 24 24 GLU CB C 30.099 0 1 226 24 24 GLU N N 121.632 0.077 1 227 25 25 ASN HA H 4.643 0.01 1 228 25 25 ASN HB2 H 3.406 0.013 1 229 25 25 ASN HB3 H 2.934 0.011 1 230 25 25 ASN C C 175.968 0 1 231 25 25 ASN CA C 59.548 0.164 1 232 25 25 ASN CB C 31.25 0.073 1 233 26 26 GLN H H 7.893 0.011 1 234 26 26 GLN HA H 4.457 0.007 1 235 26 26 GLN HB2 H 3.617 0.011 1 236 26 26 GLN HB3 H 3.433 0.009 1 237 26 26 GLN HE21 H 7.511 0 1 238 26 26 GLN HE22 H 6.824 0.005 1 239 26 26 GLN C C 172.969 0.008 1 240 26 26 GLN CA C 57.038 0.132 1 241 26 26 GLN CB C 26.382 0.16 1 242 26 26 GLN CG C 34.097 0 1 243 26 26 GLN N N 115.514 0.116 1 244 26 26 GLN NE2 N 113.182 0.307 1 245 27 27 LYS H H 8.203 0.01 1 246 27 27 LYS HA H 4.613 0.013 1 247 27 27 LYS HB2 H 1.765 0.003 1 248 27 27 LYS HB3 H 1.765 0.003 1 249 27 27 LYS C C 176.142 0 1 250 27 27 LYS CA C 55.554 2.335 1 251 27 27 LYS CB C 28.708 0 1 252 27 27 LYS N N 117.945 0.064 1 253 28 28 VAL H H 7.768 0.007 1 254 28 28 VAL HA H 4.181 0.011 1 255 28 28 VAL HB H 1.728 0.011 1 256 28 28 VAL HG1 H 0.796 0.009 1 257 28 28 VAL HG2 H 0.729 0.007 1 258 28 28 VAL C C 171.715 0.008 1 259 28 28 VAL CA C 61.087 0.088 1 260 28 28 VAL CB C 34.736 0.104 1 261 28 28 VAL CG1 C 21.675 0.068 1 262 28 28 VAL CG2 C 21.675 0.068 1 263 28 28 VAL N N 118.027 0.054 1 264 29 29 ALA H H 8.094 0.015 1 265 29 29 ALA HA H 5.438 0.008 1 266 29 29 ALA HB H 0.962 0.013 1 267 29 29 ALA C C 175.854 0.001 1 268 29 29 ALA CA C 49.832 0.156 1 269 29 29 ALA CB C 22.887 0.06 1 270 29 29 ALA N N 127.396 0.079 1 271 30 30 ALA H H 9.162 0.009 1 272 30 30 ALA HA H 5.313 0.015 1 273 30 30 ALA HB H 1.61 0.011 1 274 30 30 ALA C C 176.657 0.01 1 275 30 30 ALA CA C 51.819 0.094 1 276 30 30 ALA CB C 21.767 0.115 1 277 30 30 ALA N N 121.118 0.079 1 278 31 31 HIS H H 9.207 0.007 1 279 31 31 HIS HA H 5.182 0.009 1 280 31 31 HIS HB2 H 4.042 0.012 1 281 31 31 HIS HB3 H 3.479 0.007 1 282 31 31 HIS C C 178.015 0.012 1 283 31 31 HIS CA C 58.266 0.138 1 284 31 31 HIS CB C 31.479 0.118 1 285 31 31 HIS N N 121.523 0.096 1 286 32 32 HIS H H 8.854 0.008 1 287 32 32 HIS HA H 4.318 0.005 1 288 32 32 HIS HB2 H 3.281 0.028 1 289 32 32 HIS HB3 H 3.184 0.001 1 290 32 32 HIS C C 177.578 0.001 1 291 32 32 HIS CA C 60.176 0.093 1 292 32 32 HIS CB C 33.29 0.111 1 293 32 32 HIS N N 120.606 0.092 1 294 33 33 LYS H H 8.598 0.011 1 295 33 33 LYS HA H 3.686 0.002 1 296 33 33 LYS C C 177.269 0 1 297 33 33 LYS CA C 60.208 0.07 1 298 33 33 LYS CB C 30.639 0.064 1 299 33 33 LYS N N 112.17 0.076 1 300 34 34 CYS H H 6.275 0.009 1 301 34 34 CYS HA H 3.754 0.007 1 302 34 34 CYS HB2 H 3.002 0 1 303 34 34 CYS HB3 H 2.937 0.002 1 304 34 34 CYS CA C 63.721 0.053 1 305 34 34 CYS CB C 28.468 0.144 1 306 34 34 CYS N N 115.612 0.061 1 307 35 35 MET H H 7.029 0.018 1 308 35 35 MET HA H 3.838 0.003 1 309 35 35 MET HB2 H 2.995 0.007 1 310 35 35 MET HB3 H 2.995 0.007 1 311 35 35 MET C C 176.656 0.016 1 312 35 35 MET CA C 58.886 0.151 1 313 35 35 MET CB C 28.931 0.069 1 314 35 35 MET CG C 32.725 0.062 1 315 35 35 MET N N 113.272 0.161 1 316 36 36 LEU H H 8.153 0.012 1 317 36 36 LEU HA H 3.518 0.012 1 318 36 36 LEU HB2 H 1.038 0.009 1 319 36 36 LEU HB3 H 0.302 0.015 1 320 36 36 LEU HG H 0.923 0.02 1 321 36 36 LEU HD1 H 0.361 0.013 1 322 36 36 LEU HD2 H 0.034 0.008 1 323 36 36 LEU C C 177.352 0 1 324 36 36 LEU CA C 57.668 0.082 1 325 36 36 LEU CB C 43.124 0.057 1 326 36 36 LEU CG C 25.884 0.037 1 327 36 36 LEU CD1 C 22.767 0.104 1 328 36 36 LEU CD2 C 23.684 0.125 1 329 36 36 LEU N N 117.56 0.092 1 330 37 37 PHE H H 7.246 0.021 1 331 37 37 PHE HA H 4.065 0.014 1 332 37 37 PHE HB2 H 3.223 0.013 1 333 37 37 PHE HB3 H 2.648 0.017 1 334 37 37 PHE C C 175.158 0.054 1 335 37 37 PHE CA C 58.658 0.089 1 336 37 37 PHE CB C 39.551 0.09 1 337 37 37 PHE N N 109.132 0.113 1 338 38 38 SER H H 7.233 0.018 1 339 38 38 SER HB2 H 3.825 0 1 340 38 38 SER HB3 H 3.825 0 1 341 38 38 SER C C 178.555 0 1 342 38 38 SER CA C 61.428 0.066 1 343 38 38 SER CB C 62.927 0.079 1 344 38 38 SER N N 119.462 0.087 1 345 39 39 SER H H 8.54 0.009 1 346 39 39 SER HA H 4.309 0.006 1 347 39 39 SER HB2 H 3.914 0.004 1 348 39 39 SER HB3 H 3.859 0.009 1 349 39 39 SER C C 174.337 0 1 350 39 39 SER CA C 62.913 0.073 1 351 39 39 SER CB C 63.982 0.049 1 352 39 39 SER N N 120.783 0.054 1 353 40 40 ALA H H 8.006 0.012 1 354 40 40 ALA HA H 4.662 0.007 1 355 40 40 ALA HB H 1.452 0.011 1 356 40 40 ALA C C 176.125 0 1 357 40 40 ALA CA C 51.278 0.058 1 358 40 40 ALA CB C 18.772 0.098 1 359 40 40 ALA N N 121.855 0.089 1 360 41 41 LEU H H 6.972 0.01 1 361 41 41 LEU HA H 4.565 0.007 1 362 41 41 LEU HB2 H 1.535 0.02 1 363 41 41 LEU HB3 H 1.225 0.009 1 364 41 41 LEU HG H 1.325 0.007 1 365 41 41 LEU HD1 H 0.766 0.007 1 366 41 41 LEU HD2 H 0.523 0.009 1 367 41 41 LEU C C 175.047 0 1 368 41 41 LEU CA C 54.151 0.156 1 369 41 41 LEU CB C 43.434 0.093 1 370 41 41 LEU CG C 26.805 0.078 1 371 41 41 LEU CD1 C 24.524 0.24 1 372 41 41 LEU CD2 C 25.293 0.049 1 373 41 41 LEU N N 120.761 0.039 1 374 42 42 VAL H H 8.633 0.011 1 375 42 42 VAL HA H 4.504 0.005 1 376 42 42 VAL HB H 2.065 0.008 1 377 42 42 VAL HG1 H 1.004 0.006 1 378 42 42 VAL HG2 H 0.914 0.01 1 379 42 42 VAL C C 175.256 0.011 1 380 42 42 VAL CA C 60.81 0.107 1 381 42 42 VAL CB C 34.609 0.047 1 382 42 42 VAL CG1 C 21.149 0.101 1 383 42 42 VAL CG2 C 20.252 0.011 1 384 42 42 VAL N N 124.276 0.125 1 385 43 43 SER H H 8.77 0.007 1 386 43 43 SER HA H 3.877 0.022 1 387 43 43 SER HB2 H 3.401 0.001 1 388 43 43 SER HB3 H 3.329 0.002 1 389 43 43 SER C C 174.013 0 1 390 43 43 SER CA C 58.706 0.163 1 391 43 43 SER CB C 63.109 0.139 1 392 43 43 SER N N 120.967 0.068 1 393 44 44 SER H H 8.168 0.015 1 394 44 44 SER HA H 4.533 0.003 1 395 44 44 SER HB2 H 3.872 0.006 1 396 44 44 SER HB3 H 3.872 0.006 1 397 44 44 SER C C 173.669 0 1 398 44 44 SER CA C 57.707 0.092 1 399 44 44 SER CB C 64.503 0.046 1 400 44 44 SER N N 117.441 0.079 1 401 45 45 HIS H H 8.642 0.009 1 402 45 45 HIS HA H 4.564 0.004 1 403 45 45 HIS HB2 H 3.203 0 1 404 45 45 HIS HB3 H 3.123 0 1 405 45 45 HIS C C 174.166 0 1 406 45 45 HIS CA C 55.857 0.105 1 407 45 45 HIS CB C 28.507 0.16 1 408 45 45 HIS N N 120.27 0.102 1 409 46 46 SER H H 8.26 0.011 1 410 46 46 SER HA H 4.512 0.014 1 411 46 46 SER HB2 H 3.789 0.015 1 412 46 46 SER HB3 H 3.789 0.015 1 413 46 46 SER C C 173.994 0 1 414 46 46 SER CA C 57.514 0.214 1 415 46 46 SER CB C 64.127 0.092 1 416 46 46 SER N N 116.909 0.061 1 417 47 47 ASP H H 8.518 0.01 1 418 47 47 ASP HA H 4.585 0.01 1 419 47 47 ASP HB2 H 2.729 0.011 1 420 47 47 ASP HB3 H 2.594 0.013 1 421 47 47 ASP C C 175.929 0 1 422 47 47 ASP CA C 54.677 0.069 1 423 47 47 ASP CB C 40.732 0.101 1 424 47 47 ASP N N 121.911 0.051 1 425 48 48 ASN H H 8.242 0.009 1 426 48 48 ASN HA H 4.681 0.008 1 427 48 48 ASN HB2 H 2.887 0.011 1 428 48 48 ASN HB3 H 2.719 0.01 1 429 48 48 ASN HD21 H 7.658 0.008 1 430 48 48 ASN HD22 H 7.029 0.005 1 431 48 48 ASN C C 174.507 0.006 1 432 48 48 ASN CA C 53.088 0.087 1 433 48 48 ASN CB C 39.121 0.222 1 434 48 48 ASN N N 118.139 0.062 1 435 48 48 ASN ND2 N 113.432 0.276 1 436 49 49 GLU H H 8.402 0.012 1 437 49 49 GLU HA H 4.021 0.012 1 438 49 49 GLU HB2 H 1.981 0.009 1 439 49 49 GLU HB3 H 1.981 0.009 1 440 49 49 GLU HE2 H 2.928 0.009 1 441 49 49 GLU C C 174.485 0 1 442 49 49 GLU CA C 57.201 0.129 1 443 49 49 GLU CB C 29.905 0.005 1 444 49 49 GLU CG C 36.143 0.059 1 445 49 49 GLU N N 121.639 0.114 1 446 50 50 SER H H 8.333 0.016 1 447 50 50 SER HA H 4.827 0.014 1 448 50 50 SER HB2 H 3.718 0.015 1 449 50 50 SER HB3 H 3.718 0.015 1 450 50 50 SER C C 173.24 0 1 451 50 50 SER CA C 57.679 0.107 1 452 50 50 SER CB C 65.696 0.586 1 453 50 50 SER N N 116.091 0.149 1 454 51 51 LEU H H 9.115 0.014 1 455 51 51 LEU HA H 4.598 0.01 1 456 51 51 LEU HB2 H 1.76 0.012 1 457 51 51 LEU HB3 H 1.472 0.012 1 458 51 51 LEU HG H 1.399 0.014 1 459 51 51 LEU HD1 H 0.722 0.004 1 460 51 51 LEU HD2 H 0.722 0.004 1 461 51 51 LEU CA C 53.189 0.071 1 462 51 51 LEU CB C 43.105 0.114 1 463 51 51 LEU CG C 26.937 0.043 1 464 51 51 LEU CD1 C 24.96 0.078 1 465 51 51 LEU CD2 C 24.96 0.078 1 466 51 51 LEU N N 123.913 0.118 1 467 52 52 GLY H H 8.818 0.015 1 468 52 52 GLY HA2 H 3.714 0.008 1 469 52 52 GLY HA3 H 3.656 0.004 1 470 52 52 GLY C C 174.02 0 1 471 52 52 GLY CA C 47.211 0.136 1 472 52 52 GLY N N 110.708 0.107 1 473 53 53 GLY H H 7.999 0.008 1 474 53 53 GLY HA2 H 3.983 0.006 1 475 53 53 GLY HA3 H 3.427 0.012 1 476 53 53 GLY C C 173.196 0 1 477 53 53 GLY CA C 44.325 0.164 1 478 53 53 GLY N N 104.442 0.058 1 479 54 54 PHE H H 7.464 0.014 1 480 54 54 PHE HA H 4.623 0.003 1 481 54 54 PHE HB2 H 3.082 0.009 1 482 54 54 PHE HB3 H 2.91 0.013 1 483 54 54 PHE C C 175.087 0 1 484 54 54 PHE CA C 56.961 0.203 1 485 54 54 PHE CB C 41.038 0.088 1 486 54 54 PHE N N 119.497 0.055 1 487 55 55 SER H H 9.328 0.01 1 488 55 55 SER HA H 4.575 0.014 1 489 55 55 SER HB2 H 4.193 0.005 1 490 55 55 SER HB3 H 3.974 0.003 1 491 55 55 SER C C 175.916 0 1 492 55 55 SER CA C 57.575 0.107 1 493 55 55 SER CB C 63.85 0.102 1 494 55 55 SER N N 119.625 0.091 1 495 56 56 ILE H H 8.858 0.007 1 496 56 56 ILE HA H 3.64 0.009 1 497 56 56 ILE HB H 1.824 0.01 1 498 56 56 ILE HG12 H 1.495 0.01 1 499 56 56 ILE HG13 H 1.189 0.012 1 500 56 56 ILE HG2 H 0.915 0.011 1 501 56 56 ILE HD1 H 0.887 0.011 1 502 56 56 ILE C C 177.184 0.056 1 503 56 56 ILE CA C 65.241 0.131 1 504 56 56 ILE CB C 37.49 0.105 1 505 56 56 ILE CG1 C 29.49 0.149 1 506 56 56 ILE CG2 C 17.671 0.182 1 507 56 56 ILE CD1 C 13.804 0.058 1 508 56 56 ILE N N 125.314 0.079 1 509 57 57 GLU H H 8.676 0.009 1 510 57 57 GLU HA H 4.542 1.311 1 511 57 57 GLU HB2 H 1.984 0.01 1 512 57 57 GLU HB3 H 1.984 0.01 1 513 57 57 GLU HG2 H 2.309 0.006 1 514 57 57 GLU HG3 H 2.309 0.006 1 515 57 57 GLU C C 179.203 0.021 1 516 57 57 GLU CA C 59.673 0.101 1 517 57 57 GLU CB C 29.076 0.277 1 518 57 57 GLU CG C 36.499 0.105 1 519 57 57 GLU N N 119.974 0.113 1 520 58 58 ASP H H 7.555 0.018 1 521 58 58 ASP HA H 4.502 0.01 1 522 58 58 ASP HB2 H 3.046 0.007 1 523 58 58 ASP HB3 H 2.755 0.009 1 524 58 58 ASP C C 179.329 0.014 1 525 58 58 ASP CA C 57.212 0.082 1 526 58 58 ASP CB C 39.662 0.103 1 527 58 58 ASP N N 120.84 0.07 1 528 59 59 VAL H H 8.517 0.011 1 529 59 59 VAL HA H 3.535 0.013 1 530 59 59 VAL HB H 2.127 0.011 1 531 59 59 VAL HG1 H 1.151 0.01 1 532 59 59 VAL HG2 H 0.863 0.015 1 533 59 59 VAL C C 177.681 0.046 1 534 59 59 VAL CA C 67.868 0.131 1 535 59 59 VAL CB C 31.773 0.119 1 536 59 59 VAL CG1 C 25.151 0.047 1 537 59 59 VAL CG2 C 21.634 0.066 1 538 59 59 VAL N N 122.796 0.091 1 539 60 60 GLN H H 8.746 0.012 1 540 60 60 GLN HA H 3.937 0.006 1 541 60 60 GLN HB2 H 2.223 0.011 1 542 60 60 GLN HB3 H 1.999 0.011 1 543 60 60 GLN HG2 H 2.484 0.006 1 544 60 60 GLN HG3 H 2.229 0.009 1 545 60 60 GLN HE21 H 7.221 0.009 1 546 60 60 GLN HE22 H 6.794 0.006 1 547 60 60 GLN C C 179.101 0.005 1 548 60 60 GLN CA C 59.909 0.122 1 549 60 60 GLN CB C 29.022 0.114 1 550 60 60 GLN CG C 34.928 0.153 1 551 60 60 GLN N N 117.97 0.084 1 552 60 60 GLN NE2 N 111.065 0.18 1 553 61 61 LYS H H 7.894 0.014 1 554 61 61 LYS HA H 4.034 0.01 1 555 61 61 LYS HB2 H 2.031 0.007 1 556 61 61 LYS HB3 H 2.031 0.007 1 557 61 61 LYS HG2 H 1.692 0.01 1 558 61 61 LYS HG3 H 1.536 0.011 1 559 61 61 LYS HD2 H 1.758 0.006 1 560 61 61 LYS HD3 H 1.696 0.003 1 561 61 61 LYS HE2 H 2.999 0.004 1 562 61 61 LYS HE3 H 2.999 0.004 1 563 61 61 LYS C C 178.51 0.001 1 564 61 61 LYS CA C 60.081 0.103 1 565 61 61 LYS CB C 32.562 0.111 1 566 61 61 LYS CG C 25.469 0.111 1 567 61 61 LYS CD C 29.584 0.075 1 568 61 61 LYS CE C 41.906 0.078 1 569 61 61 LYS N N 120.494 0.085 1 570 62 62 GLU H H 7.995 0.013 1 571 62 62 GLU HA H 5.184 0.011 1 572 62 62 GLU HB3 H 2.064 0 1 573 62 62 GLU HG2 H 2.627 0.017 1 574 62 62 GLU HG3 H 2.445 0.006 1 575 62 62 GLU C C 178.944 0.012 1 576 62 62 GLU CA C 57.682 0.124 1 577 62 62 GLU CB C 29.926 0.045 1 578 62 62 GLU CG C 34.636 0.195 1 579 62 62 GLU N N 124.33 0.078 1 580 63 63 ILE H H 8.83 0.008 1 581 63 63 ILE HA H 3.19 0.01 1 582 63 63 ILE HB H 1.632 0.017 1 583 63 63 ILE HG12 H 1.246 0.005 1 584 63 63 ILE HG13 H 1.223 0.007 1 585 63 63 ILE HG2 H 0.629 0.01 1 586 63 63 ILE HD1 H 0.495 0.01 1 587 63 63 ILE C C 179.454 0.001 1 588 63 63 ILE CA C 65.732 0.107 1 589 63 63 ILE CB C 37.663 0.096 1 590 63 63 ILE CG1 C 29.764 0.189 1 591 63 63 ILE CG2 C 16.596 0.097 1 592 63 63 ILE CD1 C 14.457 0.191 1 593 63 63 ILE N N 122.794 0.104 1 594 64 64 LYS H H 7.886 0.017 1 595 64 64 LYS HA H 4.111 0.008 1 596 64 64 LYS HB2 H 1.983 0.008 1 597 64 64 LYS HB3 H 1.888 0.001 1 598 64 64 LYS HG2 H 1.481 0 1 599 64 64 LYS HG3 H 1.415 0.002 1 600 64 64 LYS HD2 H 1.66 0.005 1 601 64 64 LYS HD3 H 1.66 0.005 1 602 64 64 LYS HE2 H 2.927 0.005 1 603 64 64 LYS HE3 H 2.927 0.005 1 604 64 64 LYS C C 180.253 0.004 1 605 64 64 LYS CA C 59.459 0.146 1 606 64 64 LYS CB C 31.728 0.124 1 607 64 64 LYS CG C 25.14 0.092 1 608 64 64 LYS CD C 29.324 0.097 1 609 64 64 LYS CE C 42.138 0.213 1 610 64 64 LYS N N 120.217 0.134 1 611 65 65 ARG H H 8.491 0.011 1 612 65 65 ARG HA H 3.946 0.009 1 613 65 65 ARG HB2 H 2.23 0.01 1 614 65 65 ARG HB3 H 1.844 0.003 1 615 65 65 ARG C C 179.179 0.023 1 616 65 65 ARG CA C 60.331 0.08 1 617 65 65 ARG CB C 31.146 0.132 1 618 65 65 ARG N N 125.686 0.08 1 619 66 66 GLY H H 8.577 0.005 1 620 66 66 GLY HA2 H 3.734 0.012 1 621 66 66 GLY HA3 H 3.734 0.012 1 622 66 66 GLY C C 175.731 0.002 1 623 66 66 GLY CA C 47.307 0.161 1 624 66 66 GLY N N 103.729 0.054 1 625 67 67 THR H H 7.782 0.012 1 626 67 67 THR HA H 4.453 1.099 1 627 67 67 THR HB H 4.263 0.005 1 628 67 67 THR HG2 H 1.487 0.009 1 629 67 67 THR C C 174.601 0 1 630 67 67 THR CA C 65.598 0.128 1 631 67 67 THR CB C 69.829 0.05 1 632 67 67 THR CG2 C 21.835 0.188 1 633 67 67 THR N N 113.83 0.071 1 634 68 68 LYS H H 6.859 0.011 1 635 68 68 LYS HA H 4.473 0.007 1 636 68 68 LYS HB2 H 2.103 0.01 1 637 68 68 LYS HB3 H 1.708 0.011 1 638 68 68 LYS HG2 H 1.451 0 1 639 68 68 LYS HG3 H 1.375 0 1 640 68 68 LYS HD2 H 1.649 0.006 1 641 68 68 LYS HD3 H 1.649 0.006 1 642 68 68 LYS HE2 H 2.951 0.006 1 643 68 68 LYS HE3 H 2.951 0.006 1 644 68 68 LYS C C 175.452 0.005 1 645 68 68 LYS CA C 54.959 0.07 1 646 68 68 LYS CB C 32.902 0.077 1 647 68 68 LYS CG C 24.771 0.102 1 648 68 68 LYS CD C 28.451 0.026 1 649 68 68 LYS CE C 41.943 0.102 1 650 68 68 LYS N N 116.086 0.089 1 651 69 69 LEU H H 7.545 0.019 1 652 69 69 LEU HA H 4.509 0.008 1 653 69 69 LEU HB2 H 1.631 0.011 1 654 69 69 LEU HB3 H 1.208 0.01 1 655 69 69 LEU HG H 1.573 0.007 1 656 69 69 LEU HD1 H 0.772 0.013 1 657 69 69 LEU HD2 H 0.772 0.013 1 658 69 69 LEU C C 174.317 0.003 1 659 69 69 LEU CA C 53.55 0.091 1 660 69 69 LEU CB C 42.888 0.131 1 661 69 69 LEU CG C 25.936 0.107 1 662 69 69 LEU CD1 C 26.464 0.095 1 663 69 69 LEU CD2 C 26.464 0.095 1 664 69 69 LEU N N 123.134 0.082 1 665 70 70 MET H H 8.326 0.01 1 666 70 70 MET HA H 4.433 0.009 1 667 70 70 MET HB2 H 1.917 0.014 1 668 70 70 MET HB3 H 1.378 0.011 1 669 70 70 MET HG2 H 2.717 0.012 1 670 70 70 MET HG3 H 2.391 0.006 1 671 70 70 MET C C 175.632 0.024 1 672 70 70 MET CA C 52.331 0.132 1 673 70 70 MET CB C 31.808 0.09 1 674 70 70 MET CG C 33.063 0.072 1 675 70 70 MET N N 121.605 0.102 1 676 71 71 CYS H H 8.159 0.013 1 677 71 71 CYS HA H 3.812 0.009 1 678 71 71 CYS HB2 H 2.439 0.014 1 679 71 71 CYS HB3 H 2.439 0.014 1 680 71 71 CYS HG H 1.664 0 1 681 71 71 CYS C C 177.57 0.013 1 682 71 71 CYS CA C 58.788 0.079 1 683 71 71 CYS CB C 32.72 0.064 1 684 71 71 CYS N N 125.774 0.066 1 685 72 72 SER H H 9.501 0.01 1 686 72 72 SER HA H 4.098 0.01 1 687 72 72 SER HB2 H 3.789 0.012 1 688 72 72 SER HB3 H 3.021 0.017 1 689 72 72 SER C C 172.83 0 1 690 72 72 SER CA C 62.234 0.06 1 691 72 72 SER CB C 63.209 0.167 1 692 72 72 SER N N 126.179 0.077 1 693 73 73 LEU H H 8.778 0.011 1 694 73 73 LEU HA H 4.625 0.015 1 695 73 73 LEU HB2 H 2.068 0.01 1 696 73 73 LEU HB3 H 1.297 0.012 1 697 73 73 LEU HG H 1.462 0.011 1 698 73 73 LEU HD1 H 1.059 0.008 1 699 73 73 LEU HD2 H 0.9 0.009 1 700 73 73 LEU C C 176.177 0.003 1 701 73 73 LEU CA C 56.331 0.109 1 702 73 73 LEU CB C 44.456 0.163 1 703 73 73 LEU CG C 27.211 0.071 1 704 73 73 LEU CD1 C 26.235 0.099 1 705 73 73 LEU CD2 C 23.181 0.068 1 706 73 73 LEU N N 120.949 0.095 1 707 74 74 CYS H H 8.175 0.016 1 708 74 74 CYS HA H 4.268 0.012 1 709 74 74 CYS HB2 H 3.189 0.013 1 710 74 74 CYS HB3 H 2.416 0.013 1 711 74 74 CYS C C 175.977 0 1 712 74 74 CYS CA C 59.933 0.193 1 713 74 74 CYS CB C 31.646 0.06 1 714 74 74 CYS N N 115.939 0.21 1 715 75 75 HIS H H 8.573 0.003 1 716 75 75 HIS HA H 3.996 0.001 1 717 75 75 HIS HB2 H 2.01 0 1 718 75 75 HIS HB3 H 1.693 0.001 1 719 75 75 HIS CA C 56.909 0.009 1 720 75 75 HIS CB C 29.669 0.148 1 721 75 75 HIS N N 123.105 0.085 1 722 76 76 CYS H H 8.767 0.011 1 723 76 76 CYS HA H 4.314 0.001 1 724 76 76 CYS HB2 H 3.149 0.004 1 725 76 76 CYS HB3 H 2.942 0.001 1 726 76 76 CYS CA C 57.696 0.109 1 727 76 76 CYS CB C 29.676 0 1 728 76 76 CYS N N 119.366 0.03 1 729 77 77 PRO HA H 5.243 0.01 1 730 77 77 PRO HB2 H 2.353 0.014 1 731 77 77 PRO HB3 H 2.131 0.004 1 732 77 77 PRO HG2 H 2.061 0.007 1 733 77 77 PRO HG3 H 1.949 0.009 1 734 77 77 PRO C C 177.493 0 1 735 77 77 PRO CA C 62.807 0.098 1 736 77 77 PRO CB C 32.378 0.094 1 737 77 77 PRO CG C 27.987 0.011 1 738 77 77 PRO CD C 50.131 0 1 739 78 78 GLY H H 8.253 0.009 1 740 78 78 GLY HA2 H 5.316 0.009 1 741 78 78 GLY HA3 H 3.913 0.011 1 742 78 78 GLY C C 173.525 0.009 1 743 78 78 GLY CA C 45.27 0.134 1 744 78 78 GLY N N 112.192 0.087 1 745 79 79 ALA H H 7.325 0.014 1 746 79 79 ALA HA H 3.669 0.017 1 747 79 79 ALA HB H 0.444 0.011 1 748 79 79 ALA C C 174.888 0.023 1 749 79 79 ALA CA C 50.282 0.11 1 750 79 79 ALA CB C 17.397 0.195 1 751 79 79 ALA N N 123.172 0.097 1 752 80 80 THR H H 7.553 0.011 1 753 80 80 THR HA H 4.062 0.014 1 754 80 80 THR HB H 4.721 0.011 1 755 80 80 THR HG2 H 1.199 0.01 1 756 80 80 THR C C 174.118 0.007 1 757 80 80 THR CA C 62.105 0.053 1 758 80 80 THR CB C 68.064 0.064 1 759 80 80 THR CG2 C 23.486 0.115 1 760 80 80 THR N N 110.325 0.077 1 761 81 81 ILE H H 8.232 0.013 1 762 81 81 ILE HA H 4.312 0.02 1 763 81 81 ILE HB H 1.91 0.009 1 764 81 81 ILE HG12 H 1.63 0.015 1 765 81 81 ILE HG13 H 1.63 0.015 1 766 81 81 ILE HG2 H 0.795 0.007 1 767 81 81 ILE HD1 H 0.839 0.01 1 768 81 81 ILE C C 174.47 0.002 1 769 81 81 ILE CA C 60.882 0.123 1 770 81 81 ILE CB C 36.499 0.182 1 771 81 81 ILE CG1 C 25.526 0.065 1 772 81 81 ILE CG2 C 17.26 0.086 1 773 81 81 ILE CD1 C 15.116 0.033 1 774 81 81 ILE N N 124.818 0.101 1 775 82 82 GLY H H 8.464 0.01 1 776 82 82 GLY HA2 H 4.638 0.021 1 777 82 82 GLY HA3 H 3.517 0.017 1 778 82 82 GLY C C 172.976 0.027 1 779 82 82 GLY CA C 44.49 0.132 1 780 82 82 GLY N N 114.384 0.059 1 781 83 83 CYS H H 7.421 0.018 1 782 83 83 CYS HA H 4.234 0.011 1 783 83 83 CYS HB2 H 2.955 0.012 1 784 83 83 CYS HB3 H 2.89 0.013 1 785 83 83 CYS C C 176.329 0.013 1 786 83 83 CYS CA C 60.176 0.086 1 787 83 83 CYS CB C 31.293 0.097 1 788 83 83 CYS N N 122.545 0.101 1 789 84 84 ASP H H 8.79 0.011 1 790 84 84 ASP HA H 4.307 0.018 1 791 84 84 ASP HB2 H 2.349 0.011 1 792 84 84 ASP HB3 H 2.165 0.013 1 793 84 84 ASP C C 176.642 0.002 1 794 84 84 ASP CA C 57.258 0.071 1 795 84 84 ASP CB C 43.257 0.104 1 796 84 84 ASP N N 128.109 0.105 1 797 85 85 VAL H H 8.001 0.015 1 798 85 85 VAL HA H 3.841 0.011 1 799 85 85 VAL HB H 1.776 0.013 1 800 85 85 VAL HG1 H 0.904 0.01 1 801 85 85 VAL HG2 H 0.457 0.008 1 802 85 85 VAL C C 178.229 0 1 803 85 85 VAL CA C 64.388 0.113 1 804 85 85 VAL CB C 30.505 0.237 1 805 85 85 VAL CG1 C 22.879 0.14 1 806 85 85 VAL CG2 C 20.676 0.047 1 807 85 85 VAL N N 119.347 0.103 1 808 86 86 LYS H H 8.646 0.01 1 809 86 86 LYS HA H 4.062 0.007 1 810 86 86 LYS HB2 H 1.883 0.011 1 811 86 86 LYS HB3 H 1.883 0.011 1 812 86 86 LYS HG2 H 1.591 0.014 1 813 86 86 LYS HG3 H 1.591 0.014 1 814 86 86 LYS HD2 H 1.687 0.007 1 815 86 86 LYS HD3 H 1.687 0.007 1 816 86 86 LYS HE2 H 3.034 0.003 1 817 86 86 LYS HE3 H 3.034 0.003 1 818 86 86 LYS C C 177.855 0 1 819 86 86 LYS CA C 58.654 0.08 1 820 86 86 LYS CB C 31.789 0.06 1 821 86 86 LYS CG C 24.85 0.138 1 822 86 86 LYS CD C 28.642 0.051 1 823 86 86 LYS CE C 42.402 0.003 1 824 86 86 LYS N N 127.919 0.107 1 825 87 87 THR H H 7.075 0.01 1 826 87 87 THR HA H 4.15 0.009 1 827 87 87 THR HB H 4.469 0.003 1 828 87 87 THR HG2 H 1.16 0.01 1 829 87 87 THR C C 173.248 0 1 830 87 87 THR CA C 61.045 0.155 1 831 87 87 THR CB C 68.491 0.083 1 832 87 87 THR CG2 C 21.77 0.071 1 833 87 87 THR N N 105.21 0.071 1 834 88 88 CYS H H 7.797 0.015 1 835 88 88 CYS C C 175.427 0 1 836 88 88 CYS CA C 60.061 0.137 1 837 88 88 CYS CB C 31.977 0 1 838 88 88 CYS N N 126.005 0.077 1 839 89 89 HIS HA H 4.875 0.007 1 840 89 89 HIS HB2 H 3.334 0.01 1 841 89 89 HIS HB3 H 3.161 0.013 1 842 89 89 HIS C C 175.244 0 1 843 89 89 HIS CA C 55.265 0.076 1 844 89 89 HIS CB C 29.362 0.113 1 845 90 90 ARG H H 8.814 0.007 1 846 90 90 ARG HA H 4.208 0.022 1 847 90 90 ARG HB2 H 1.549 0.019 1 848 90 90 ARG HB3 H 1.549 0.019 1 849 90 90 ARG HD2 H 3.105 0.016 1 850 90 90 ARG HD3 H 3.105 0.016 1 851 90 90 ARG C C 175.408 0.001 1 852 90 90 ARG CA C 58.049 0.067 1 853 90 90 ARG CB C 30.29 0.341 1 854 90 90 ARG CD C 42.452 0 1 855 90 90 ARG N N 123.841 0.092 1 856 91 91 THR H H 8.034 0.017 1 857 91 91 THR HA H 4.962 0.004 1 858 91 91 THR HB H 3.642 0.016 1 859 91 91 THR HG2 H 1.018 0.013 1 860 91 91 THR C C 171.673 0 1 861 91 91 THR CA C 60.325 0.113 1 862 91 91 THR CB C 70.993 0.064 1 863 91 91 THR CG2 C 20.162 0.239 1 864 91 91 THR N N 119.009 0.152 1 865 92 92 TYR H H 8.786 0.009 1 866 92 92 TYR HA H 5.876 0.019 1 867 92 92 TYR HB2 H 3.789 0.013 1 868 92 92 TYR HB3 H 2.154 0.009 1 869 92 92 TYR C C 177.587 0 1 870 92 92 TYR CA C 59.3 0.116 1 871 92 92 TYR CB C 44.743 0.145 1 872 92 92 TYR N N 123.102 0.109 1 873 93 93 HIS H H 6.847 0.012 1 874 93 93 HIS HA H 5.1 0.007 1 875 93 93 HIS HB2 H 3.83 0.002 1 876 93 93 HIS HB3 H 3.656 0.014 1 877 93 93 HIS C C 177.113 0 1 878 93 93 HIS CA C 57.293 0.058 1 879 93 93 HIS CB C 32.153 0.105 1 880 93 93 HIS N N 115.914 0.063 1 881 94 94 TYR H H 10.341 0.01 1 882 94 94 TYR HA H 3.422 0.012 1 883 94 94 TYR HB2 H 3.033 0.009 1 884 94 94 TYR HB3 H 2.729 0.008 1 885 94 94 TYR C C 175.894 0 1 886 94 94 TYR CA C 64.908 0.052 1 887 94 94 TYR CB C 38.477 0.155 1 888 94 94 TYR N N 127.806 0.059 1 889 95 95 HIS H H 9.317 0.013 1 890 95 95 HIS C C 177.115 0 1 891 95 95 HIS CA C 58.585 0.091 1 892 95 95 HIS CB C 29.006 0.004 1 893 95 95 HIS N N 115.436 0.118 1 894 96 96 CYS H H 6.303 0.009 1 895 96 96 CYS HA H 3.702 0.016 1 896 96 96 CYS HB2 H 3.002 0.012 1 897 96 96 CYS HB3 H 3.002 0.012 1 898 96 96 CYS C C 175.855 0 1 899 96 96 CYS CA C 62.763 0.067 1 900 96 96 CYS CB C 30.587 0.288 1 901 96 96 CYS N N 119.955 0.037 1 902 97 97 ALA H H 8.033 0.013 1 903 97 97 ALA HA H 2.429 0.012 1 904 97 97 ALA HB H 0.558 0.011 1 905 97 97 ALA C C 178.75 0 1 906 97 97 ALA CA C 54.683 0.06 1 907 97 97 ALA CB C 15.097 0.051 1 908 97 97 ALA N N 122.038 0.105 1 909 98 98 LEU H H 6.883 0.009 1 910 98 98 LEU HA H 3.667 0.013 1 911 98 98 LEU HB2 H 1.503 0.013 1 912 98 98 LEU HB3 H 1.282 0.014 1 913 98 98 LEU HG H 1.138 0.011 1 914 98 98 LEU HD1 H 0.587 0.012 1 915 98 98 LEU HD2 H 0.5 0.003 1 916 98 98 LEU C C 181.486 0 1 917 98 98 LEU CA C 57.374 0.109 1 918 98 98 LEU CB C 41.063 0.084 1 919 98 98 LEU CD1 C 25.061 0.073 1 920 98 98 LEU CD2 C 22.612 0.064 1 921 98 98 LEU N N 115.608 0.13 1 922 99 99 HIS H H 7.952 0.023 1 923 99 99 HIS HA H 4.309 0.004 1 924 99 99 HIS HB2 H 3.132 0.031 1 925 99 99 HIS HB3 H 2.937 0.015 1 926 99 99 HIS C C 174.41 0.057 1 927 99 99 HIS CA C 58.047 0.13 1 928 99 99 HIS CB C 29.834 0.066 1 929 99 99 HIS N N 119.394 0.162 1 930 100 100 ASP H H 8.037 0.015 1 931 100 100 ASP HA H 5.065 0.009 1 932 100 100 ASP HB2 H 2.471 0.001 1 933 100 100 ASP HB3 H 2.374 0.013 1 934 100 100 ASP C C 175.384 0 1 935 100 100 ASP CA C 53.103 0.079 1 936 100 100 ASP CB C 42.248 0.081 1 937 100 100 ASP N N 118.869 0.109 1 938 101 101 LYS H H 7.591 0.012 1 939 101 101 LYS HA H 3.804 0.008 1 940 101 101 LYS HB2 H 1.93 0.007 1 941 101 101 LYS HB3 H 1.748 0.006 1 942 101 101 LYS HG2 H 1.342 0.003 1 943 101 101 LYS HG3 H 1.239 0.002 1 944 101 101 LYS HD2 H 1.565 0.01 1 945 101 101 LYS HD3 H 1.565 0.01 1 946 101 101 LYS HE2 H 2.953 0.003 1 947 101 101 LYS HE3 H 2.953 0.003 1 948 101 101 LYS C C 174.987 0.01 1 949 101 101 LYS CA C 56.587 0.1 1 950 101 101 LYS CB C 28.318 0.145 1 951 101 101 LYS CG C 24.98 0.067 1 952 101 101 LYS CE C 42.033 0.033 1 953 101 101 LYS N N 111.396 0.09 1 954 102 102 ALA H H 7.621 0.021 1 955 102 102 ALA HA H 4.102 0.007 1 956 102 102 ALA HB H 0.759 0.013 1 957 102 102 ALA C C 176.528 0.01 1 958 102 102 ALA CA C 52.264 0.083 1 959 102 102 ALA CB C 19.275 0.058 1 960 102 102 ALA N N 118.385 0.081 1 961 103 103 GLN H H 9.288 0.009 1 962 103 103 GLN HA H 4.475 0.009 1 963 103 103 GLN HB2 H 1.947 0.001 1 964 103 103 GLN HB3 H 1.84 0.015 1 965 103 103 GLN HG2 H 2.505 0 1 966 103 103 GLN HG3 H 2.433 0.005 1 967 103 103 GLN C C 173.69 0.004 1 968 103 103 GLN CA C 54.518 0.107 1 969 103 103 GLN CB C 32.706 0.108 1 970 103 103 GLN CG C 34.337 0.089 1 971 103 103 GLN N N 121.371 0.091 1 972 104 104 ILE H H 8.569 0.01 1 973 104 104 ILE HA H 4.465 0.015 1 974 104 104 ILE HB H 1.799 0.01 1 975 104 104 ILE HG12 H 1.107 0.01 1 976 104 104 ILE HG13 H 0.989 0.009 1 977 104 104 ILE HG2 H 0.807 0.008 1 978 104 104 ILE HD1 H 0.234 0.011 1 979 104 104 ILE C C 176.031 0.001 1 980 104 104 ILE CA C 59.956 0.052 1 981 104 104 ILE CB C 38.02 0.1 1 982 104 104 ILE CG1 C 27.72 0.06 1 983 104 104 ILE CG2 C 19.147 0.085 1 984 104 104 ILE CD1 C 11.845 0.037 1 985 104 104 ILE N N 128.146 0.06 1 986 105 105 ARG H H 9.34 0.008 1 987 105 105 ARG HA H 4.701 0.007 1 988 105 105 ARG HB2 H 1.709 0.01 1 989 105 105 ARG HB3 H 1.655 0.006 1 990 105 105 ARG HG2 H 1.579 0.007 1 991 105 105 ARG HG3 H 1.406 0.009 1 992 105 105 ARG HD2 H 3.139 0.006 1 993 105 105 ARG HD3 H 3.139 0.006 1 994 105 105 ARG C C 172.753 0.007 1 995 105 105 ARG CA C 54.955 0.075 1 996 105 105 ARG CB C 32.211 0.075 1 997 105 105 ARG CG C 27.042 0.075 1 998 105 105 ARG CD C 43.526 0.051 1 999 105 105 ARG N N 129.913 0.086 1 1000 106 106 GLU H H 8.729 0.008 1 1001 106 106 GLU HA H 4.923 0.006 1 1002 106 106 GLU HB2 H 2.112 0.006 1 1003 106 106 GLU HB3 H 2.008 0.006 1 1004 106 106 GLU HG2 H 2.319 0 1 1005 106 106 GLU HG3 H 2.223 0 1 1006 106 106 GLU C C 175.274 0.003 1 1007 106 106 GLU CA C 54.337 0.14 1 1008 106 106 GLU CB C 32.995 0.186 1 1009 106 106 GLU CG C 36.158 0.074 1 1010 106 106 GLU N N 124.18 0.08 1 1011 107 107 LYS H H 8.854 0.008 1 1012 107 107 LYS HA H 4.737 0.004 1 1013 107 107 LYS HB2 H 1.756 0.011 1 1014 107 107 LYS HB3 H 1.609 0.008 1 1015 107 107 LYS HG2 H 1.221 0 1 1016 107 107 LYS HG3 H 1.221 0 1 1017 107 107 LYS C C 174.32 0 1 1018 107 107 LYS CA C 52.706 0.043 1 1019 107 107 LYS CB C 32.866 0.033 1 1020 107 107 LYS N N 123.465 0.069 1 1021 109 109 SER HA H 4.205 0.008 1 1022 109 109 SER HB2 H 3.918 0.007 1 1023 109 109 SER HB3 H 3.918 0.007 1 1024 109 109 SER C C 175.062 0 1 1025 109 109 SER CA C 60.965 0.09 1 1026 109 109 SER CB C 62.123 0.048 1 1027 110 110 GLN H H 7.292 0.015 1 1028 110 110 GLN HA H 4.495 0.006 1 1029 110 110 GLN HB2 H 2.298 0.01 1 1030 110 110 GLN HB3 H 1.585 0.01 1 1031 110 110 GLN HG2 H 2.331 0.006 1 1032 110 110 GLN HG3 H 2.23 0.007 1 1033 110 110 GLN HE21 H 7.531 0.007 1 1034 110 110 GLN HE22 H 6.856 0.006 1 1035 110 110 GLN C C 175.541 0.006 1 1036 110 110 GLN CA C 55.003 0.069 1 1037 110 110 GLN CB C 31.064 0.103 1 1038 110 110 GLN CG C 34.386 0.049 1 1039 110 110 GLN N N 118.038 0.049 1 1040 110 110 GLN NE2 N 111.913 0.291 1 1041 111 111 GLY H H 7.816 0.015 1 1042 111 111 GLY HA2 H 3.961 0.009 1 1043 111 111 GLY HA3 H 3.716 0.008 1 1044 111 111 GLY C C 173.383 0 1 1045 111 111 GLY CA C 46.596 0.141 1 1046 111 111 GLY N N 108.954 0.04 1 1047 112 112 ILE H H 6.72 0.007 1 1048 112 112 ILE HA H 3.964 0.01 1 1049 112 112 ILE HB H 1.366 0.016 1 1050 112 112 ILE HG12 H 1.331 0.011 1 1051 112 112 ILE HG13 H 0.914 0.011 1 1052 112 112 ILE HG2 H 0.689 0.009 1 1053 112 112 ILE HD1 H 0.732 0.012 1 1054 112 112 ILE C C 172.474 0.01 1 1055 112 112 ILE CA C 60.238 0.119 1 1056 112 112 ILE CB C 39.499 0.099 1 1057 112 112 ILE CG1 C 26.68 0.077 1 1058 112 112 ILE CG2 C 16.935 0.034 1 1059 112 112 ILE CD1 C 12.657 0.15 1 1060 112 112 ILE N N 119.334 0.026 1 1061 113 113 TYR H H 8.315 0.011 1 1062 113 113 TYR HA H 4.513 0.016 1 1063 113 113 TYR HB2 H 2.2 0.008 1 1064 113 113 TYR HB3 H 1.047 0.013 1 1065 113 113 TYR C C 173.868 0.023 1 1066 113 113 TYR CA C 57.098 0.101 1 1067 113 113 TYR CB C 38.16 0.091 1 1068 113 113 TYR N N 127.194 0.085 1 1069 114 114 MET H H 8.985 0.008 1 1070 114 114 MET HA H 4.933 0.005 1 1071 114 114 MET HB2 H 1.983 0.005 1 1072 114 114 MET HB3 H 1.88 0.006 1 1073 114 114 MET HG2 H 2.339 0.007 1 1074 114 114 MET HG3 H 2.183 0.014 1 1075 114 114 MET C C 173.052 0.01 1 1076 114 114 MET CA C 54.665 0.109 1 1077 114 114 MET CB C 37.395 0.203 1 1078 114 114 MET CG C 31.232 0.106 1 1079 114 114 MET N N 121.109 0.095 1 1080 115 115 VAL H H 8.977 0.008 1 1081 115 115 VAL HA H 5.046 0.003 1 1082 115 115 VAL HB H 1.748 0.017 1 1083 115 115 VAL HG1 H 0.668 0.046 1 1084 115 115 VAL HG2 H 0.519 0.056 1 1085 115 115 VAL C C 173.594 0.016 1 1086 115 115 VAL CA C 59.775 0.084 1 1087 115 115 VAL CB C 35.231 0.096 1 1088 115 115 VAL CG1 C 21.97 0.329 1 1089 115 115 VAL CG2 C 21.288 0.063 1 1090 115 115 VAL N N 118.89 0.07 1 1091 116 116 TYR H H 8.703 0.016 1 1092 116 116 TYR HA H 5.604 0.016 1 1093 116 116 TYR HB2 H 2.84 0 1 1094 116 116 TYR HB3 H 2.731 0.01 1 1095 116 116 TYR C C 175.869 0.099 1 1096 116 116 TYR CA C 55.539 0.095 1 1097 116 116 TYR CB C 41.51 0.078 1 1098 116 116 TYR N N 121.082 0.092 1 1099 117 117 CYS H H 10.108 0.022 1 1100 117 117 CYS HA H 4.638 0.006 1 1101 117 117 CYS HB2 H 3.486 0.024 1 1102 117 117 CYS HB3 H 3.486 0.024 1 1103 117 117 CYS C C 174.829 0.007 1 1104 117 117 CYS CA C 58.156 0.045 1 1105 117 117 CYS CB C 31.374 0.21 1 1106 117 117 CYS N N 123.575 0.071 1 1107 118 118 ARG H H 9.408 0.01 1 1108 118 118 ARG HA H 3.869 0.007 1 1109 118 118 ARG HB2 H 1.911 0.001 1 1110 118 118 ARG HB3 H 1.824 0.015 1 1111 118 118 ARG HG2 H 1.35 0.001 1 1112 118 118 ARG HG3 H 1.35 0.001 1 1113 118 118 ARG HD2 H 3.167 0.031 1 1114 118 118 ARG HD3 H 3.167 0.031 1 1115 118 118 ARG C C 176.906 0.039 1 1116 118 118 ARG CA C 58.749 0.103 1 1117 118 118 ARG CB C 29.392 0.088 1 1118 118 118 ARG CG C 29.911 0 1 1119 118 118 ARG CD C 43.331 0.111 1 1120 118 118 ARG N N 116.297 0.095 1 1121 119 119 LYS H H 8.26 0.011 1 1122 119 119 LYS HA H 4.157 0.006 1 1123 119 119 LYS HB2 H 1.329 0.011 1 1124 119 119 LYS HB3 H 1.329 0.011 1 1125 119 119 LYS HG2 H 1.208 0.009 1 1126 119 119 LYS HG3 H 1.046 0.011 1 1127 119 119 LYS HD2 H 1.488 0.011 1 1128 119 119 LYS HD3 H 1.488 0.011 1 1129 119 119 LYS HE2 H 2.853 0.008 1 1130 119 119 LYS HE3 H 2.853 0.008 1 1131 119 119 LYS C C 177.358 0.011 1 1132 119 119 LYS CA C 57.253 0.103 1 1133 119 119 LYS CB C 32.372 0.087 1 1134 119 119 LYS CG C 24.699 0.08 1 1135 119 119 LYS CD C 28.516 0.103 1 1136 119 119 LYS CE C 41.693 0.081 1 1137 119 119 LYS N N 120.223 0.134 1 1138 120 120 HIS H H 7.992 0.016 1 1139 120 120 HIS HA H 4.761 0.013 1 1140 120 120 HIS HB2 H 3.5 0.012 1 1141 120 120 HIS HB3 H 3 0.02 1 1142 120 120 HIS C C 174.038 0.036 1 1143 120 120 HIS CA C 58.376 0.129 1 1144 120 120 HIS CB C 32.752 0.109 1 1145 120 120 HIS N N 119.94 0.096 1 1146 121 121 LYS H H 7.661 0.015 1 1147 121 121 LYS HA H 4.251 0.004 1 1148 121 121 LYS HB2 H 1.779 0.002 1 1149 121 121 LYS HB3 H 1.779 0.002 1 1150 121 121 LYS HE2 H 2.961 0.01 1 1151 121 121 LYS HE3 H 2.961 0.01 1 1152 121 121 LYS C C 176.487 0 1 1153 121 121 LYS CA C 56.655 0.253 1 1154 121 121 LYS CB C 32.855 0.081 1 1155 121 121 LYS N N 118.772 0.081 1 1156 122 122 LYS H H 8.543 0.006 1 1157 122 122 LYS HA H 4.359 0.004 1 1158 122 122 LYS HB2 H 1.732 0.012 1 1159 122 122 LYS HB3 H 1.604 0.02 1 1160 122 122 LYS HG2 H 1.253 0.012 1 1161 122 122 LYS HG3 H 1.183 0.002 1 1162 122 122 LYS HD2 H 1.52 0.007 1 1163 122 122 LYS HD3 H 1.52 0.007 1 1164 122 122 LYS HE2 H 2.776 0.014 1 1165 122 122 LYS HE3 H 2.776 0.014 1 1166 122 122 LYS C C 176.855 0.001 1 1167 122 122 LYS CA C 55.692 0.089 1 1168 122 122 LYS CB C 32.987 0.106 1 1169 122 122 LYS CG C 24.511 0.088 1 1170 122 122 LYS CD C 28.688 0.078 1 1171 122 122 LYS CE C 41.992 0.09 1 1172 122 122 LYS N N 123.458 0.084 1 1173 123 123 THR H H 8.087 0.014 1 1174 123 123 THR HA H 4.238 0.011 1 1175 123 123 THR HB H 4.167 0.003 1 1176 123 123 THR HG2 H 1.121 0.007 1 1177 123 123 THR C C 174.008 0.004 1 1178 123 123 THR CA C 61.813 0.101 1 1179 123 123 THR CB C 69.763 0.086 1 1180 123 123 THR CG2 C 21.719 0.208 1 1181 123 123 THR N N 114.962 0.058 1 1182 124 124 ALA H H 8.202 0.01 1 1183 124 124 ALA HA H 4.188 0.01 1 1184 124 124 ALA HB H 1.214 0.008 1 1185 124 124 ALA C C 177.204 0.01 1 1186 124 124 ALA CA C 52.522 0.087 1 1187 124 124 ALA CB C 19.236 0.173 1 1188 124 124 ALA N N 125.737 0.057 1 1189 125 125 HIS H H 8.338 0.009 1 1190 125 125 HIS HA H 4.599 0.011 1 1191 125 125 HIS HB2 H 3.154 0 1 1192 125 125 HIS HB3 H 3.046 0 1 1193 125 125 HIS C C 174.564 0.007 1 1194 125 125 HIS CA C 55.857 0.113 1 1195 125 125 HIS CB C 30.047 0.101 1 1196 125 125 HIS N N 118.318 0.101 1 1197 126 126 ASN H H 8.407 0.007 1 1198 126 126 ASN HA H 4.713 0.01 1 1199 126 126 ASN HB2 H 2.799 0.003 1 1200 126 126 ASN HB3 H 2.697 0.003 1 1201 126 126 ASN HD21 H 7.619 0.009 1 1202 126 126 ASN HD22 H 6.903 0.01 1 1203 126 126 ASN C C 174.03 0.002 1 1204 126 126 ASN CA C 53.196 0.077 1 1205 126 126 ASN CB C 38.864 0.101 1 1206 126 126 ASN N N 120.386 0.061 1 1207 126 126 ASN ND2 N 112.706 0.291 1 1208 127 127 SER H H 7.932 0.011 1 1209 127 127 SER HA H 4.223 0.002 1 1210 127 127 SER HB2 H 3.814 0.005 1 1211 127 127 SER HB3 H 3.814 0.005 1 1212 127 127 SER C C 178.42 0 1 1213 127 127 SER CA C 60.05 0.057 1 1214 127 127 SER CB C 64.69 0.046 1 1215 127 127 SER N N 121.435 0.061 1 stop_ save_