data_18717 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of C-terminal domain of Ska1 ; _BMRB_accession_number 18717 _BMRB_flat_file_name bmr18717.str _Entry_type original _Submission_date 2012-09-14 _Accession_date 2012-09-14 _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 Boeszoermenyi Andras . . 2 Schmidt Jens C. . 3 Markus Michelle . . 4 Oberer Monika . . 5 Cheeseman Iain M. . 6 Wagner Gerhard . . 7 Arthanari Haribabu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 634 "13C chemical shifts" 536 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-12-02 update BMRB 'update chemical shifts' 2013-06-12 update author 'update author sequence' 2013-02-18 update BMRB 'update entry citation' 2012-10-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The kinetochore-bound Ska1 complex tracks depolymerizing microtubules and binds to curved protofilaments.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23085020 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schmidt Jens C. . 2 Arthanari Haribabu . . 3 Boeszoermenyi Andras . . 4 Dashkevich Natalia M. . 5 Wilson-Kubalek Elizabeth M. . 6 Monnier Nilah . . 7 Markus Michelle . . 8 Oberer Monika . . 9 Milligan Ron A. . 10 Bathe Mark . . 11 Wagner Gerhard . . 12 Grishchuk Ekaterina L. . 13 Cheeseman Iain M. . stop_ _Journal_abbreviation 'Dev. Cell' _Journal_name_full 'Developmental cell' _Journal_volume 23 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 968 _Page_last 980 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ska1-MTBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ska1-MTBD $Ska1-MTBD 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_Ska1-MTBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ska1-MTBD _Molecular_mass 15576.451 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; MNDIRIVPQITDEEFKTIPK YQLGRLTLEMMNEIVSKMDD FLMKKSKILGKTNKQLTRSD REVLDNWRELEMKARKRLPT TLFFIETDIRPMLQDRLRPS FAKAIPCLRHIRRIREERCG PLTFYYPGSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 117 MET 2 118 ASN 3 119 ASP 4 120 ILE 5 121 ARG 6 122 ILE 7 123 VAL 8 124 PRO 9 125 GLN 10 126 ILE 11 127 THR 12 128 ASP 13 129 GLU 14 130 GLU 15 131 PHE 16 132 LYS 17 133 THR 18 134 ILE 19 135 PRO 20 136 LYS 21 137 TYR 22 138 GLN 23 139 LEU 24 140 GLY 25 141 ARG 26 142 LEU 27 143 THR 28 144 LEU 29 145 GLU 30 146 MET 31 147 MET 32 148 ASN 33 149 GLU 34 150 ILE 35 151 VAL 36 152 SER 37 153 LYS 38 154 MET 39 155 ASP 40 156 ASP 41 157 PHE 42 158 LEU 43 159 MET 44 160 LYS 45 161 LYS 46 162 SER 47 163 LYS 48 164 ILE 49 165 LEU 50 166 GLY 51 167 LYS 52 168 THR 53 169 ASN 54 170 LYS 55 171 GLN 56 172 LEU 57 173 THR 58 174 ARG 59 175 SER 60 176 ASP 61 177 ARG 62 178 GLU 63 179 VAL 64 180 LEU 65 181 ASP 66 182 ASN 67 183 TRP 68 184 ARG 69 185 GLU 70 186 LEU 71 187 GLU 72 188 MET 73 189 LYS 74 190 ALA 75 191 ARG 76 192 LYS 77 193 ARG 78 194 LEU 79 195 PRO 80 196 THR 81 197 THR 82 198 LEU 83 199 PHE 84 200 PHE 85 201 ILE 86 202 GLU 87 203 THR 88 204 ASP 89 205 ILE 90 206 ARG 91 207 PRO 92 208 MET 93 209 LEU 94 210 GLN 95 211 ASP 96 212 ARG 97 213 LEU 98 214 ARG 99 215 PRO 100 216 SER 101 217 PHE 102 218 ALA 103 219 LYS 104 220 ALA 105 221 ILE 106 222 PRO 107 223 CYS 108 224 LEU 109 225 ARG 110 226 HIS 111 227 ILE 112 228 ARG 113 229 ARG 114 230 ILE 115 231 ARG 116 232 GLU 117 233 GLU 118 234 ARG 119 235 CYS 120 236 GLY 121 237 PRO 122 238 LEU 123 239 THR 124 240 PHE 125 241 TYR 126 242 TYR 127 243 PRO 128 244 GLY 129 245 SER 130 246 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 PDB 2LYC "Structure Of C-Terminal Domain Of Ska1" 100.00 130 100.00 100.00 1.56e-88 EMBL CAA21578 "Spindle and kinetochore-associated protein 1 [Caenorhabditis elegans]" 96.92 243 100.00 100.00 4.78e-85 REF NP_492739 "Spindle and kinetochore-associated protein 1 [Caenorhabditis elegans]" 96.92 243 100.00 100.00 4.78e-85 SP Q9XWS0 "RecName: Full=Spindle and kinetochore-associated protein 1" 96.92 243 100.00 100.00 4.78e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ska1-MTBD Nematodes 6239 Eukaryota Metazoa Caenorhabditis elegans 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 $Ska1-MTBD 'recombinant technology' . Escherichia coli . pET3aTr stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ska1-MTBD 0.800 mM '[U-100% 15N ILV-Methyl 13C]' 'potassium phosphate' 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1.5 mM 'natural abundance' H2O 55 mM 'natural abundance' 'sodium azide' 0.0001 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ska1-MTBD 0.800 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1.5 mM 'natural abundance' H2O 55 mM 'natural abundance' 'sodium azide' 0.00001 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ska1-MTBD 0.800 mM '[U-100% 15N; ILV-Methyl 13C]' 'potassium phosphate' 20 mM 'natural abundance' NaCl 150 mM 'natural abundance' DTT 1.5 mM 'natural abundance' H2O 55 mM 'natural abundance' 'sodium azide' 0.00001 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task validation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_time_shared_13C-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D time shared 13C-15N NOESY' _Sample_label $sample_2 save_ save_4D_HMQC-NOESY-HMQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HMQC-NOESY-HMQC' _Sample_label $sample_3 save_ save_2D-HBCBCGCDHD_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HBCBCGCDHD _Sample_label $sample_1 save_ save_2D-HBCBCGCDCEHE_12 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HBCBCGCDCEHE _Sample_label $sample_1 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 0.150 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HCACO' 2D-HBCBCGCDHD '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' 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 Ska1-MTBD _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 1 118 2 ASN C C 174.295 0.000 1 2 118 2 ASN CA C 53.038 0.000 1 3 118 2 ASN CB C 38.651 0.000 1 4 119 3 ASP H H 8.330 0.004 1 5 119 3 ASP HA H 4.487 0.000 1 6 119 3 ASP HB2 H 2.446 0.000 2 7 119 3 ASP HB3 H 2.564 0.000 2 8 119 3 ASP C C 175.666 0.002 1 9 119 3 ASP CA C 54.131 0.020 1 10 119 3 ASP CB C 40.887 0.062 1 11 119 3 ASP N N 120.758 0.002 1 12 120 4 ILE H H 7.973 0.003 1 13 120 4 ILE HA H 4.048 0.002 1 14 120 4 ILE HB H 1.728 0.004 1 15 120 4 ILE HG12 H 1.328 0.000 2 16 120 4 ILE HG13 H 1.038 0.004 2 17 120 4 ILE HG2 H 0.761 0.001 1 18 120 4 ILE HD1 H 0.698 0.006 1 19 120 4 ILE C C 175.667 0.001 1 20 120 4 ILE CA C 60.723 0.000 1 21 120 4 ILE CB C 38.460 0.019 1 22 120 4 ILE CG1 C 26.760 0.000 1 23 120 4 ILE CG2 C 17.197 0.000 1 24 120 4 ILE CD1 C 12.537 0.121 1 25 120 4 ILE N N 121.146 0.004 1 26 121 5 ARG H H 8.074 0.008 1 27 121 5 ARG HA H 4.471 0.004 1 28 121 5 ARG HB2 H 1.715 0.000 2 29 121 5 ARG HB3 H 1.719 0.000 2 30 121 5 ARG HG2 H 1.593 0.000 2 31 121 5 ARG HG3 H 1.431 0.007 2 32 121 5 ARG HD2 H 3.162 0.000 2 33 121 5 ARG HD3 H 3.068 0.001 2 34 121 5 ARG C C 175.716 0.000 1 35 121 5 ARG CA C 54.419 0.004 1 36 121 5 ARG CB C 30.142 0.000 1 37 121 5 ARG CG C 26.209 0.000 1 38 121 5 ARG CD C 42.246 0.000 1 39 121 5 ARG N N 123.642 0.051 1 40 122 6 ILE H H 9.079 0.006 1 41 122 6 ILE HA H 3.799 0.012 1 42 122 6 ILE HB H 1.748 0.007 1 43 122 6 ILE HG12 H 1.498 0.000 2 44 122 6 ILE HG13 H 1.497 0.000 2 45 122 6 ILE HG2 H 0.834 0.000 1 46 122 6 ILE HD1 H 0.610 0.009 1 47 122 6 ILE C C 177.295 0.000 1 48 122 6 ILE CA C 63.441 0.018 1 49 122 6 ILE CB C 38.184 0.015 1 50 122 6 ILE CG1 C 28.208 0.000 1 51 122 6 ILE CG2 C 18.942 0.000 1 52 122 6 ILE CD1 C 12.899 0.094 1 53 122 6 ILE N N 124.879 0.023 1 54 123 7 VAL H H 9.077 0.013 1 55 123 7 VAL HA H 4.091 0.000 1 56 123 7 VAL HB H 2.138 0.000 1 57 123 7 VAL HG1 H 0.837 0.000 1 58 123 7 VAL HG2 H 0.767 0.008 1 59 123 7 VAL C C 171.889 0.000 1 60 123 7 VAL CA C 58.665 0.021 1 61 123 7 VAL CB C 31.692 0.000 1 62 123 7 VAL CG2 C 20.453 0.024 1 63 123 7 VAL N N 120.500 0.053 1 64 124 8 PRO HA H 4.050 0.001 1 65 124 8 PRO HB3 H 2.239 0.000 1 66 124 8 PRO HG2 H 1.775 0.000 2 67 124 8 PRO HG3 H 1.694 0.000 2 68 124 8 PRO HD2 H 2.878 0.000 2 69 124 8 PRO HD3 H 2.951 0.000 2 70 124 8 PRO C C 176.526 0.000 1 71 124 8 PRO CA C 62.509 0.000 1 72 124 8 PRO CB C 32.637 0.000 1 73 124 8 PRO CG C 26.934 0.000 1 74 124 8 PRO CD C 50.695 0.000 1 75 125 9 GLN H H 8.306 0.003 1 76 125 9 GLN HA H 3.860 0.002 1 77 125 9 GLN HB2 H 1.797 0.000 2 78 125 9 GLN HB3 H 1.699 0.000 2 79 125 9 GLN HG2 H 2.340 0.000 2 80 125 9 GLN HG3 H 2.135 0.000 2 81 125 9 GLN C C 175.808 0.000 1 82 125 9 GLN CA C 55.899 0.002 1 83 125 9 GLN CB C 29.822 0.000 1 84 125 9 GLN CG C 33.641 0.000 1 85 125 9 GLN N N 120.443 0.074 1 86 126 10 ILE H H 10.050 0.010 1 87 126 10 ILE HA H 4.050 0.000 1 88 126 10 ILE HB H 1.980 0.000 1 89 126 10 ILE HG12 H 1.750 0.000 2 90 126 10 ILE HG13 H 1.465 0.002 2 91 126 10 ILE HG2 H 0.768 0.001 1 92 126 10 ILE HD1 H 0.647 0.008 1 93 126 10 ILE C C 177.397 0.000 1 94 126 10 ILE CA C 60.287 0.059 1 95 126 10 ILE CB C 37.150 0.000 1 96 126 10 ILE CG1 C 27.367 0.000 1 97 126 10 ILE CG2 C 18.001 0.000 1 98 126 10 ILE CD1 C 13.355 0.076 1 99 126 10 ILE N N 125.713 0.053 1 100 127 11 THR H H 8.674 0.014 1 101 127 11 THR HA H 4.458 0.001 1 102 127 11 THR HB H 4.672 0.003 1 103 127 11 THR HG2 H 1.200 0.002 1 104 127 11 THR C C 175.359 0.002 1 105 127 11 THR CA C 60.124 0.033 1 106 127 11 THR CB C 71.036 0.000 1 107 127 11 THR CG2 C 21.550 0.000 1 108 127 11 THR N N 118.976 0.001 1 109 128 12 ASP H H 8.890 0.003 1 110 128 12 ASP HA H 4.233 0.000 1 111 128 12 ASP HB3 H 2.536 0.001 1 112 128 12 ASP C C 178.241 0.000 1 113 128 12 ASP CA C 57.791 0.000 1 114 128 12 ASP CB C 40.845 0.000 1 115 128 12 ASP N N 121.587 0.103 1 116 129 13 GLU H H 8.421 0.001 1 117 129 13 GLU HA H 3.848 0.002 1 118 129 13 GLU HB2 H 1.963 0.000 2 119 129 13 GLU HB3 H 1.882 0.001 2 120 129 13 GLU HG3 H 2.250 0.000 1 121 129 13 GLU C C 179.434 0.002 1 122 129 13 GLU CA C 59.683 0.000 1 123 129 13 GLU CB C 29.155 0.000 1 124 129 13 GLU CG C 36.271 0.000 1 125 129 13 GLU N N 117.150 0.083 1 126 130 14 GLU H H 7.653 0.007 1 127 130 14 GLU HA H 3.977 0.000 1 128 130 14 GLU HB3 H 1.736 0.000 1 129 130 14 GLU HG2 H 2.387 0.002 2 130 130 14 GLU HG3 H 2.147 0.000 2 131 130 14 GLU C C 180.305 0.010 1 132 130 14 GLU CA C 58.493 0.004 1 133 130 14 GLU CB C 31.415 0.000 1 134 130 14 GLU CG C 37.008 0.000 1 135 130 14 GLU N N 118.527 0.083 1 136 131 15 PHE H H 8.826 0.004 1 137 131 15 PHE HA H 3.844 0.002 1 138 131 15 PHE HB2 H 3.250 0.007 2 139 131 15 PHE HB3 H 3.105 0.006 2 140 131 15 PHE HD1 H 6.971 0.008 3 141 131 15 PHE HD2 H 6.971 0.008 3 142 131 15 PHE HE1 H 7.032 0.005 3 143 131 15 PHE HE2 H 7.032 0.005 3 144 131 15 PHE C C 177.510 0.000 1 145 131 15 PHE CA C 61.006 0.001 1 146 131 15 PHE CB C 40.101 0.004 1 147 131 15 PHE CD1 C 132.695 0.000 3 148 131 15 PHE CD2 C 132.695 0.000 3 149 131 15 PHE N N 122.818 0.080 1 150 132 16 LYS H H 7.749 0.008 1 151 132 16 LYS HA H 3.963 0.000 1 152 132 16 LYS HB2 H 1.902 0.000 2 153 132 16 LYS HB3 H 1.827 0.000 2 154 132 16 LYS HG2 H 1.669 0.002 2 155 132 16 LYS HG3 H 1.535 0.001 2 156 132 16 LYS HE3 H 2.923 0.000 1 157 132 16 LYS C C 176.988 0.003 1 158 132 16 LYS CA C 58.086 0.015 1 159 132 16 LYS CB C 32.608 0.000 1 160 132 16 LYS CG C 25.611 0.000 1 161 132 16 LYS CE C 41.833 0.000 1 162 132 16 LYS N N 115.158 0.049 1 163 133 17 THR H H 7.520 0.002 1 164 133 17 THR HA H 4.271 0.003 1 165 133 17 THR HB H 4.406 0.004 1 166 133 17 THR HG2 H 1.306 0.003 1 167 133 17 THR C C 174.741 0.000 1 168 133 17 THR CA C 61.767 0.006 1 169 133 17 THR CB C 69.956 0.001 1 170 133 17 THR CG2 C 21.323 0.000 1 171 133 17 THR N N 108.693 0.017 1 172 134 18 ILE H H 7.069 0.007 1 173 134 18 ILE HA H 3.621 0.000 1 174 134 18 ILE HB H 1.321 0.002 1 175 134 18 ILE HG2 H 0.647 0.001 1 176 134 18 ILE HD1 H 0.636 0.007 1 177 134 18 ILE C C 173.734 0.000 1 178 134 18 ILE CA C 59.401 0.086 1 179 134 18 ILE CB C 38.283 0.024 1 180 134 18 ILE CD1 C 14.153 0.116 1 181 134 18 ILE N N 124.684 0.038 1 182 135 19 PRO HA H 4.089 0.000 1 183 135 19 PRO C C 178.325 0.000 1 184 135 19 PRO CA C 62.565 0.000 1 185 135 19 PRO CB C 32.687 0.000 1 186 135 19 PRO CG C 27.490 0.000 1 187 135 19 PRO CD C 49.763 0.000 1 188 136 20 LYS H H 8.638 0.001 1 189 136 20 LYS HA H 3.707 0.002 1 190 136 20 LYS HB2 H 1.764 0.000 2 191 136 20 LYS HB3 H 1.812 0.000 2 192 136 20 LYS HG2 H 1.400 0.001 2 193 136 20 LYS HG3 H 1.468 0.000 2 194 136 20 LYS HD2 H 1.648 0.000 1 195 136 20 LYS HD3 H 1.648 0.000 1 196 136 20 LYS C C 179.479 0.000 1 197 136 20 LYS CA C 59.180 0.025 1 198 136 20 LYS CB C 31.439 0.019 1 199 136 20 LYS CG C 24.768 0.000 1 200 136 20 LYS CD C 28.401 0.000 1 201 136 20 LYS N N 124.588 0.088 1 202 137 21 TYR H H 7.900 0.004 1 203 137 21 TYR HA H 4.314 0.000 1 204 137 21 TYR HB2 H 2.879 0.000 2 205 137 21 TYR HB3 H 3.117 0.001 2 206 137 21 TYR HD1 H 7.010 0.005 3 207 137 21 TYR HD2 H 7.010 0.005 3 208 137 21 TYR HE1 H 6.754 0.007 3 209 137 21 TYR HE2 H 6.754 0.007 3 210 137 21 TYR C C 176.892 0.005 1 211 137 21 TYR CA C 58.914 0.000 1 212 137 21 TYR CB C 36.332 0.020 1 213 137 21 TYR CD1 C 133.550 0.000 3 214 137 21 TYR CD2 C 133.550 0.000 3 215 137 21 TYR CE1 C 118.657 0.000 3 216 137 21 TYR CE2 C 118.657 0.000 3 217 137 21 TYR N N 115.083 0.080 1 218 138 22 GLN H H 6.761 0.002 1 219 138 22 GLN HA H 3.926 0.002 1 220 138 22 GLN HB3 H 1.468 0.000 1 221 138 22 GLN HG2 H 1.860 0.000 2 222 138 22 GLN HG3 H 1.602 0.000 2 223 138 22 GLN C C 176.508 0.005 1 224 138 22 GLN CA C 56.606 0.000 1 225 138 22 GLN CB C 29.465 0.000 1 226 138 22 GLN CG C 33.962 0.000 1 227 138 22 GLN N N 119.714 0.057 1 228 139 23 LEU H H 7.119 0.005 1 229 139 23 LEU HA H 3.852 0.000 1 230 139 23 LEU HB2 H 1.452 0.000 2 231 139 23 LEU HB3 H 1.386 0.003 2 232 139 23 LEU HG H 1.335 0.002 1 233 139 23 LEU HD1 H 0.485 0.001 1 234 139 23 LEU HD2 H 0.602 0.006 1 235 139 23 LEU C C 178.702 0.006 1 236 139 23 LEU CA C 56.569 0.013 1 237 139 23 LEU CB C 43.590 0.014 1 238 139 23 LEU CG C 26.142 0.017 1 239 139 23 LEU CD1 C 25.426 0.000 1 240 139 23 LEU CD2 C 24.830 0.048 1 241 139 23 LEU N N 118.585 0.061 1 242 140 24 GLY H H 7.543 0.002 1 243 140 24 GLY HA2 H 3.749 0.001 2 244 140 24 GLY HA3 H 3.616 0.001 2 245 140 24 GLY C C 175.762 0.005 1 246 140 24 GLY CA C 46.923 0.012 1 247 140 24 GLY N N 103.579 0.066 1 248 141 25 ARG H H 8.850 0.003 1 249 141 25 ARG HA H 4.280 0.000 1 250 141 25 ARG C C 175.767 0.000 1 251 141 25 ARG CA C 55.373 0.000 1 252 141 25 ARG CB C 29.946 0.000 1 253 141 25 ARG CG C 26.756 0.000 1 254 141 25 ARG CD C 42.943 0.000 1 255 141 25 ARG N N 126.030 0.000 1 256 142 26 LEU H H 8.021 0.005 1 257 142 26 LEU HA H 4.258 0.005 1 258 142 26 LEU HB2 H 1.811 0.000 2 259 142 26 LEU HB3 H 2.052 0.001 2 260 142 26 LEU HG H 1.308 0.000 1 261 142 26 LEU HD1 H 0.843 0.006 1 262 142 26 LEU HD2 H 0.840 0.006 1 263 142 26 LEU C C 176.524 0.000 1 264 142 26 LEU CA C 56.596 0.014 1 265 142 26 LEU CB C 42.745 0.033 1 266 142 26 LEU CG C 26.961 0.000 1 267 142 26 LEU CD1 C 24.415 0.028 1 268 142 26 LEU CD2 C 24.408 0.018 1 269 142 26 LEU N N 121.262 0.042 1 270 143 27 THR H H 7.138 0.010 1 271 143 27 THR HA H 4.635 0.002 1 272 143 27 THR HB H 4.575 0.002 1 273 143 27 THR HG2 H 1.256 0.003 1 274 143 27 THR C C 174.974 0.000 1 275 143 27 THR CA C 58.272 0.013 1 276 143 27 THR CG2 C 21.735 0.000 1 277 143 27 THR N N 110.948 0.009 1 278 144 28 LEU H H 8.402 0.002 1 279 144 28 LEU HA H 3.225 0.004 1 280 144 28 LEU HB2 H -0.185 0.004 2 281 144 28 LEU HB3 H 1.179 0.005 2 282 144 28 LEU HD1 H 0.434 0.004 1 283 144 28 LEU HD2 H 0.507 0.005 1 284 144 28 LEU C C 177.901 0.005 1 285 144 28 LEU CA C 57.834 0.000 1 286 144 28 LEU CB C 39.929 0.000 1 287 144 28 LEU CD1 C 22.781 0.000 1 288 144 28 LEU CD2 C 25.349 0.022 1 289 144 28 LEU N N 124.515 0.106 1 290 145 29 GLU H H 8.359 0.003 1 291 145 29 GLU HA H 3.886 0.002 1 292 145 29 GLU HB2 H 1.957 0.006 2 293 145 29 GLU HB3 H 1.814 0.000 2 294 145 29 GLU HG2 H 2.230 0.000 2 295 145 29 GLU HG3 H 2.176 0.004 2 296 145 29 GLU C C 180.121 0.000 1 297 145 29 GLU CA C 59.967 0.000 1 298 145 29 GLU CB C 28.813 0.013 1 299 145 29 GLU CG C 36.334 0.000 1 300 145 29 GLU N N 117.001 0.041 1 301 146 30 MET H H 7.544 0.010 1 302 146 30 MET HA H 3.999 0.001 1 303 146 30 MET HB2 H 2.407 0.000 1 304 146 30 MET HB3 H 2.407 0.003 1 305 146 30 MET HG2 H 2.755 0.000 2 306 146 30 MET HG3 H 2.602 0.000 2 307 146 30 MET C C 178.239 0.000 1 308 146 30 MET CA C 58.946 0.000 1 309 146 30 MET CB C 31.941 0.000 1 310 146 30 MET CG C 31.826 0.042 1 311 146 30 MET N N 119.099 0.095 1 312 147 31 MET H H 8.314 0.005 1 313 147 31 MET HA H 3.825 0.003 1 314 147 31 MET HB2 H 2.120 0.004 2 315 147 31 MET HB3 H 1.956 0.002 2 316 147 31 MET HG2 H 2.431 0.000 2 317 147 31 MET HG3 H 2.286 0.002 2 318 147 31 MET C C 178.015 0.010 1 319 147 31 MET CA C 58.966 0.011 1 320 147 31 MET CB C 32.253 0.020 1 321 147 31 MET CG C 33.108 0.000 1 322 147 31 MET N N 117.280 0.085 1 323 148 32 ASN H H 8.733 0.007 1 324 148 32 ASN HA H 4.960 0.003 1 325 148 32 ASN HB2 H 2.940 0.000 2 326 148 32 ASN HB3 H 2.681 0.001 2 327 148 32 ASN C C 179.074 0.000 1 328 148 32 ASN CA C 54.275 0.016 1 329 148 32 ASN CB C 36.915 0.000 1 330 148 32 ASN N N 116.584 0.086 1 331 149 33 GLU H H 7.921 0.004 1 332 149 33 GLU HA H 4.186 0.000 1 333 149 33 GLU HG2 H 2.206 0.002 2 334 149 33 GLU HG3 H 2.135 0.001 2 335 149 33 GLU C C 179.007 0.000 1 336 149 33 GLU CA C 59.511 0.000 1 337 149 33 GLU CB C 29.228 0.000 1 338 149 33 GLU CG C 35.968 0.000 1 339 149 33 GLU N N 125.286 0.071 1 340 150 34 ILE H H 7.578 0.002 1 341 150 34 ILE HA H 3.471 0.002 1 342 150 34 ILE HB H 1.987 0.011 1 343 150 34 ILE HG12 H 1.742 0.000 2 344 150 34 ILE HG13 H 1.459 0.000 2 345 150 34 ILE HG2 H 0.831 0.000 1 346 150 34 ILE HD1 H 0.646 0.006 1 347 150 34 ILE C C 178.052 0.000 1 348 150 34 ILE CA C 65.794 0.000 1 349 150 34 ILE CB C 37.922 0.000 1 350 150 34 ILE CG1 C 27.332 0.000 1 351 150 34 ILE CG2 C 17.801 0.000 1 352 150 34 ILE CD1 C 13.149 0.087 1 353 150 34 ILE N N 119.887 0.109 1 354 151 35 VAL H H 8.665 0.009 1 355 151 35 VAL HA H 3.578 0.003 1 356 151 35 VAL HB H 2.111 0.002 1 357 151 35 VAL HG1 H 0.806 0.044 1 358 151 35 VAL HG2 H 0.949 0.007 1 359 151 35 VAL C C 177.649 0.010 1 360 151 35 VAL CA C 66.145 0.000 1 361 151 35 VAL CB C 31.499 0.000 1 362 151 35 VAL CG1 C 21.978 0.000 1 363 151 35 VAL CG2 C 24.489 0.074 1 364 151 35 VAL N N 118.969 0.070 1 365 152 36 SER H H 8.174 0.001 1 366 152 36 SER HA H 4.169 0.003 1 367 152 36 SER HB2 H 4.021 0.000 2 368 152 36 SER HB3 H 4.013 0.001 2 369 152 36 SER C C 176.433 0.000 1 370 152 36 SER CA C 61.604 0.000 1 371 152 36 SER CB C 62.415 0.014 1 372 152 36 SER N N 114.910 0.101 1 373 153 37 LYS H H 7.288 0.005 1 374 153 37 LYS HA H 4.177 0.001 1 375 153 37 LYS HB3 H 1.892 0.002 1 376 153 37 LYS HG3 H 1.707 0.000 1 377 153 37 LYS HD3 H 1.803 0.001 1 378 153 37 LYS C C 178.884 0.000 1 379 153 37 LYS CA C 57.155 0.000 1 380 153 37 LYS CB C 30.380 0.000 1 381 153 37 LYS CG C 24.595 0.000 1 382 153 37 LYS CD C 26.978 0.000 1 383 153 37 LYS N N 118.939 0.079 1 384 154 38 MET H H 7.743 0.004 1 385 154 38 MET HA H 3.433 0.003 1 386 154 38 MET C C 177.059 0.003 1 387 154 38 MET CA C 59.676 0.000 1 388 154 38 MET CB C 31.961 0.000 1 389 154 38 MET N N 119.010 0.091 1 390 155 39 ASP H H 8.605 0.003 1 391 155 39 ASP HA H 4.089 0.001 1 392 155 39 ASP HB2 H 2.856 0.001 2 393 155 39 ASP HB3 H 2.675 0.000 2 394 155 39 ASP C C 177.348 0.000 1 395 155 39 ASP CA C 58.773 0.000 1 396 155 39 ASP CB C 43.142 0.000 1 397 155 39 ASP N N 118.369 0.104 1 398 156 40 ASP H H 8.395 0.006 1 399 156 40 ASP HA H 4.189 0.000 1 400 156 40 ASP HB2 H 2.826 0.000 2 401 156 40 ASP HB3 H 2.571 0.001 2 402 156 40 ASP C C 179.247 0.013 1 403 156 40 ASP CA C 57.327 0.000 1 404 156 40 ASP CB C 41.041 0.000 1 405 156 40 ASP N N 117.392 0.113 1 406 157 41 PHE H H 8.254 0.006 1 407 157 41 PHE HA H 3.971 0.000 1 408 157 41 PHE HB2 H 3.068 0.004 2 409 157 41 PHE HB3 H 2.652 0.004 2 410 157 41 PHE HD1 H 7.012 0.007 3 411 157 41 PHE HD2 H 7.012 0.007 3 412 157 41 PHE C C 177.361 0.000 1 413 157 41 PHE CA C 62.162 0.000 1 414 157 41 PHE CB C 39.698 0.005 1 415 157 41 PHE N N 119.440 0.081 1 416 158 42 LEU H H 8.211 0.008 1 417 158 42 LEU HA H 3.725 0.000 1 418 158 42 LEU HB2 H 1.891 0.000 2 419 158 42 LEU HB3 H 1.188 0.002 2 420 158 42 LEU HD1 H 0.849 0.000 1 421 158 42 LEU HD2 H 0.754 0.007 1 422 158 42 LEU C C 178.874 0.000 1 423 158 42 LEU CA C 57.168 0.000 1 424 158 42 LEU CB C 41.649 0.000 1 425 158 42 LEU CD1 C 25.963 0.000 1 426 158 42 LEU CD2 C 22.840 0.025 1 427 158 42 LEU N N 118.004 0.095 1 428 159 43 MET H H 9.074 0.002 1 429 159 43 MET HA H 4.070 0.003 1 430 159 43 MET HB2 H 2.201 0.001 2 431 159 43 MET HB3 H 1.944 0.003 2 432 159 43 MET HG3 H 2.522 0.003 1 433 159 43 MET C C 179.283 0.010 1 434 159 43 MET CA C 57.664 0.013 1 435 159 43 MET CB C 30.833 0.034 1 436 159 43 MET CG C 32.203 0.000 1 437 159 43 MET N N 121.822 0.079 1 438 160 44 LYS H H 7.680 0.003 1 439 160 44 LYS HA H 3.865 0.000 1 440 160 44 LYS HB2 H 1.810 0.005 2 441 160 44 LYS HB3 H 1.765 0.000 2 442 160 44 LYS HD2 H 1.646 0.000 2 443 160 44 LYS HD3 H 1.522 0.000 2 444 160 44 LYS C C 178.949 0.000 1 445 160 44 LYS CA C 59.484 0.000 1 446 160 44 LYS CB C 31.525 0.000 1 447 160 44 LYS N N 122.214 0.108 1 448 161 45 LYS H H 7.973 0.000 1 449 161 45 LYS CA C 59.502 0.000 1 450 161 45 LYS CB C 30.935 0.000 1 451 161 45 LYS CG C 24.866 0.000 1 452 161 45 LYS CD C 27.853 0.000 1 453 161 45 LYS CE C 41.105 0.000 1 454 162 46 SER H H 8.467 0.001 1 455 162 46 SER HA H 3.747 0.003 1 456 162 46 SER HB2 H 3.918 0.005 2 457 162 46 SER HB3 H 3.859 0.007 2 458 162 46 SER C C 177.383 0.002 1 459 162 46 SER CA C 61.358 0.000 1 460 162 46 SER CB C 62.674 0.000 1 461 162 46 SER N N 113.452 0.086 1 462 163 47 LYS H H 7.659 0.001 1 463 163 47 LYS HA H 3.955 0.000 1 464 163 47 LYS HB2 H 1.909 0.000 2 465 163 47 LYS HB3 H 1.864 0.000 2 466 163 47 LYS HG2 H 1.494 0.000 2 467 163 47 LYS HG3 H 1.313 0.003 2 468 163 47 LYS C C 179.580 0.007 1 469 163 47 LYS CA C 58.814 0.000 1 470 163 47 LYS CB C 32.013 0.000 1 471 163 47 LYS CG C 25.015 0.000 1 472 163 47 LYS N N 120.209 0.045 1 473 164 48 ILE H H 7.802 0.002 1 474 164 48 ILE HA H 3.463 0.003 1 475 164 48 ILE HB H 2.017 0.001 1 476 164 48 ILE HD1 H 0.846 0.008 1 477 164 48 ILE C C 178.589 0.005 1 478 164 48 ILE CA C 66.092 0.000 1 479 164 48 ILE CB C 37.947 0.015 1 480 164 48 ILE CD1 C 13.804 0.191 1 481 164 48 ILE N N 120.645 0.077 1 482 165 49 LEU H H 8.669 0.002 1 483 165 49 LEU HA H 4.065 0.001 1 484 165 49 LEU HB2 H 1.700 0.000 2 485 165 49 LEU HB3 H 1.333 0.000 2 486 165 49 LEU HG H 1.798 0.001 1 487 165 49 LEU HD1 H 0.553 0.008 1 488 165 49 LEU HD2 H 0.934 0.008 1 489 165 49 LEU C C 178.248 0.003 1 490 165 49 LEU CA C 57.114 0.000 1 491 165 49 LEU CB C 41.593 0.000 1 492 165 49 LEU CG C 26.378 0.000 1 493 165 49 LEU CD1 C 22.158 0.123 1 494 165 49 LEU CD2 C 22.249 0.091 1 495 165 49 LEU N N 118.682 0.058 1 496 166 50 GLY H H 7.425 0.006 1 497 166 50 GLY HA2 H 4.129 0.000 2 498 166 50 GLY HA3 H 3.632 0.000 2 499 166 50 GLY C C 174.636 0.000 1 500 166 50 GLY CA C 44.546 0.023 1 501 166 50 GLY N N 103.246 0.038 1 502 167 51 LYS H H 7.232 0.006 1 503 167 51 LYS HA H 4.268 0.001 1 504 167 51 LYS HB3 H 1.765 0.000 1 505 167 51 LYS HG2 H 1.333 0.000 2 506 167 51 LYS HG3 H 1.195 0.000 2 507 167 51 LYS HD2 H 1.332 0.000 2 508 167 51 LYS HD3 H 1.333 0.000 2 509 167 51 LYS C C 177.873 0.000 1 510 167 51 LYS CA C 57.328 0.000 1 511 167 51 LYS CB C 34.176 0.000 1 512 167 51 LYS CG C 26.272 0.000 1 513 167 51 LYS CD C 30.265 0.000 1 514 167 51 LYS N N 121.571 0.089 1 515 168 52 THR H H 8.305 0.009 1 516 168 52 THR HA H 4.367 0.003 1 517 168 52 THR HB H 4.506 0.008 1 518 168 52 THR HG2 H 1.219 0.003 1 519 168 52 THR C C 175.993 0.000 1 520 168 52 THR CA C 60.280 0.013 1 521 168 52 THR CB C 69.989 0.000 1 522 168 52 THR CG2 C 21.539 0.000 1 523 168 52 THR N N 112.447 0.056 1 524 169 53 ASN H H 8.739 0.000 1 525 169 53 ASN HA H 4.263 0.000 1 526 169 53 ASN HB2 H 2.804 0.000 2 527 169 53 ASN HB3 H 2.719 0.000 2 528 169 53 ASN C C 177.636 0.000 1 529 169 53 ASN CA C 56.566 0.000 1 530 169 53 ASN CB C 38.190 0.000 1 531 169 53 ASN N N 118.660 0.000 1 532 170 54 LYS H H 7.954 0.011 1 533 170 54 LYS HA H 4.084 0.000 1 534 170 54 LYS HB2 H 1.752 0.000 2 535 170 54 LYS HB3 H 1.710 0.000 2 536 170 54 LYS HG3 H 1.406 0.000 1 537 170 54 LYS C C 177.333 0.000 1 538 170 54 LYS CA C 57.551 0.000 1 539 170 54 LYS CB C 32.378 0.000 1 540 170 54 LYS CG C 24.838 0.000 1 541 170 54 LYS N N 116.227 0.039 1 542 171 55 GLN H H 7.496 0.007 1 543 171 55 GLN HA H 4.183 0.000 1 544 171 55 GLN C C 176.690 0.002 1 545 171 55 GLN CA C 55.621 0.006 1 546 171 55 GLN CB C 30.523 0.000 1 547 171 55 GLN N N 116.351 0.075 1 548 172 56 LEU H H 7.142 0.007 1 549 172 56 LEU HA H 4.447 0.002 1 550 172 56 LEU HB3 H 1.820 0.000 1 551 172 56 LEU HG H 1.243 0.001 1 552 172 56 LEU HD1 H 0.794 0.000 1 553 172 56 LEU HD2 H 0.819 0.007 1 554 172 56 LEU C C 178.069 0.003 1 555 172 56 LEU CA C 55.325 0.016 1 556 172 56 LEU CB C 43.024 0.010 1 557 172 56 LEU CG C 25.888 0.000 1 558 172 56 LEU CD1 C 24.627 0.019 1 559 172 56 LEU CD2 C 24.733 0.131 1 560 172 56 LEU N N 119.981 0.054 1 561 173 57 THR H H 8.995 0.012 1 562 173 57 THR HA H 4.498 0.004 1 563 173 57 THR HB H 4.637 0.000 1 564 173 57 THR HG2 H 1.235 0.005 1 565 173 57 THR C C 175.354 0.000 1 566 173 57 THR CA C 59.638 0.006 1 567 173 57 THR CB C 71.233 0.000 1 568 173 57 THR CG2 C 21.546 0.000 1 569 173 57 THR N N 115.645 0.044 1 570 174 58 ARG H H 8.784 0.002 1 571 174 58 ARG HA H 3.877 0.001 1 572 174 58 ARG HB2 H 1.865 0.000 2 573 174 58 ARG HB3 H 1.774 0.002 2 574 174 58 ARG HG2 H 1.655 0.000 2 575 174 58 ARG HG3 H 1.540 0.000 2 576 174 58 ARG C C 179.012 0.002 1 577 174 58 ARG CA C 59.817 0.017 1 578 174 58 ARG CB C 29.331 0.000 1 579 174 58 ARG CG C 26.649 0.000 1 580 174 58 ARG N N 121.160 0.045 1 581 175 59 SER H H 8.201 0.005 1 582 175 59 SER HA H 4.116 0.002 1 583 175 59 SER HB2 H 3.801 0.000 2 584 175 59 SER HB3 H 3.740 0.000 2 585 175 59 SER C C 176.887 0.009 1 586 175 59 SER CA C 60.988 0.012 1 587 175 59 SER CB C 62.156 0.000 1 588 175 59 SER N N 113.852 0.056 1 589 176 60 ASP H H 7.630 0.010 1 590 176 60 ASP HA H 4.051 0.001 1 591 176 60 ASP HB2 H 2.907 0.004 2 592 176 60 ASP HB3 H 2.403 0.002 2 593 176 60 ASP C C 177.447 0.001 1 594 176 60 ASP CA C 56.538 0.000 1 595 176 60 ASP CB C 41.978 0.000 1 596 176 60 ASP N N 122.734 0.076 1 597 177 61 ARG H H 7.970 0.005 1 598 177 61 ARG HA H 3.719 0.000 1 599 177 61 ARG HB2 H 1.788 0.000 2 600 177 61 ARG HB3 H 1.712 0.000 2 601 177 61 ARG HG3 H 1.498 0.000 1 602 177 61 ARG HD2 H 3.175 0.002 2 603 177 61 ARG HD3 H 3.000 0.004 2 604 177 61 ARG C C 178.226 0.002 1 605 177 61 ARG CA C 59.537 0.000 1 606 177 61 ARG CB C 29.604 0.005 1 607 177 61 ARG CG C 28.572 0.000 1 608 177 61 ARG CD C 42.995 0.000 1 609 177 61 ARG N N 117.151 0.120 1 610 178 62 GLU H H 7.558 0.003 1 611 178 62 GLU HA H 3.942 0.000 1 612 178 62 GLU HB2 H 1.945 0.000 2 613 178 62 GLU HB3 H 2.065 0.000 2 614 178 62 GLU HG3 H 2.349 0.000 1 615 178 62 GLU C C 179.219 0.000 1 616 178 62 GLU CA C 59.036 0.000 1 617 178 62 GLU CB C 29.483 0.000 1 618 178 62 GLU CG C 35.993 0.000 1 619 178 62 GLU N N 118.317 0.070 1 620 179 63 VAL H H 7.405 0.007 1 621 179 63 VAL HA H 3.583 0.003 1 622 179 63 VAL HB H 1.462 0.002 1 623 179 63 VAL HG1 H 0.412 0.002 1 624 179 63 VAL HG2 H 0.580 0.006 1 625 179 63 VAL C C 176.852 0.003 1 626 179 63 VAL CA C 64.617 0.000 1 627 179 63 VAL CB C 30.281 0.020 1 628 179 63 VAL CG2 C 21.195 0.017 1 629 179 63 VAL N N 116.641 0.014 1 630 180 64 LEU H H 7.889 0.001 1 631 180 64 LEU HA H 3.707 0.003 1 632 180 64 LEU HB2 H 1.600 0.000 2 633 180 64 LEU HB3 H 1.411 0.000 2 634 180 64 LEU HG H 1.475 0.000 1 635 180 64 LEU HD1 H 0.830 0.000 1 636 180 64 LEU HD2 H 0.953 0.008 1 637 180 64 LEU C C 180.161 0.000 1 638 180 64 LEU CA C 57.867 0.014 1 639 180 64 LEU CB C 41.936 0.029 1 640 180 64 LEU CG C 26.701 0.000 1 641 180 64 LEU CD1 C 24.818 0.024 1 642 180 64 LEU CD2 C 24.806 0.002 1 643 180 64 LEU N N 121.421 0.098 1 644 181 65 ASP H H 7.850 0.005 1 645 181 65 ASP HA H 4.392 0.002 1 646 181 65 ASP HB2 H 2.729 0.003 2 647 181 65 ASP HB3 H 2.593 0.000 2 648 181 65 ASP C C 179.074 0.000 1 649 181 65 ASP CA C 57.262 0.000 1 650 181 65 ASP CB C 39.725 0.000 1 651 181 65 ASP N N 119.139 0.103 1 652 182 66 ASN H H 7.486 0.007 1 653 182 66 ASN HA H 4.503 0.000 1 654 182 66 ASN HB2 H 2.935 0.000 2 655 182 66 ASN HB3 H 2.839 0.004 2 656 182 66 ASN C C 178.621 0.009 1 657 182 66 ASN CA C 56.090 0.000 1 658 182 66 ASN CB C 38.019 0.018 1 659 182 66 ASN N N 120.173 0.149 1 660 183 67 TRP H H 8.731 0.001 1 661 183 67 TRP HA H 4.499 0.002 1 662 183 67 TRP HB2 H 3.532 0.000 2 663 183 67 TRP HB3 H 3.382 0.000 2 664 183 67 TRP HD1 H 7.207 0.000 1 665 183 67 TRP HE1 H 10.480 0.000 1 666 183 67 TRP C C 179.359 0.000 1 667 183 67 TRP CA C 58.287 0.003 1 668 183 67 TRP CB C 28.099 0.001 1 669 183 67 TRP N N 122.775 0.093 1 670 184 68 ARG H H 7.976 0.001 1 671 184 68 ARG HA H 4.844 0.000 1 672 184 68 ARG HD2 H 3.527 0.004 2 673 184 68 ARG HD3 H 3.376 0.000 2 674 184 68 ARG C C 179.433 0.000 1 675 184 68 ARG CA C 58.177 0.024 1 676 184 68 ARG CB C 28.306 0.000 1 677 184 68 ARG CD C 42.815 0.000 1 678 184 68 ARG N N 120.275 0.000 1 679 185 69 GLU H H 8.674 0.003 1 680 185 69 GLU HA H 4.282 0.000 1 681 185 69 GLU HG2 H 2.399 0.000 2 682 185 69 GLU HG3 H 2.237 0.003 2 683 185 69 GLU C C 179.099 0.009 1 684 185 69 GLU CA C 59.305 0.000 1 685 185 69 GLU CB C 29.982 0.000 1 686 185 69 GLU CG C 36.162 0.000 1 687 185 69 GLU N N 121.625 0.067 1 688 186 70 LEU H H 7.967 0.004 1 689 186 70 LEU HA H 4.135 0.000 1 690 186 70 LEU HB2 H 2.395 0.005 2 691 186 70 LEU HB3 H 1.782 0.000 2 692 186 70 LEU HG H 2.058 0.001 1 693 186 70 LEU HD1 H 1.237 0.004 1 694 186 70 LEU HD2 H 1.035 0.007 1 695 186 70 LEU C C 178.653 0.009 1 696 186 70 LEU CA C 58.001 0.000 1 697 186 70 LEU CB C 42.370 0.000 1 698 186 70 LEU CG C 26.858 0.000 1 699 186 70 LEU CD1 C 25.928 0.000 1 700 186 70 LEU CD2 C 24.058 0.020 1 701 186 70 LEU N N 120.019 0.093 1 702 187 71 GLU H H 8.277 0.001 1 703 187 71 GLU HA H 3.568 0.003 1 704 187 71 GLU HB2 H 2.112 0.006 1 705 187 71 GLU HG3 H 2.371 0.001 1 706 187 71 GLU C C 179.810 0.000 1 707 187 71 GLU CA C 59.318 0.001 1 708 187 71 GLU CB C 30.170 0.000 1 709 187 71 GLU CG C 36.392 0.000 1 710 187 71 GLU N N 118.314 0.045 1 711 188 72 MET H H 7.969 0.004 1 712 188 72 MET HA H 4.163 0.000 1 713 188 72 MET HB2 H 2.748 0.000 2 714 188 72 MET HB3 H 2.609 0.000 2 715 188 72 MET HG2 H 2.247 0.000 2 716 188 72 MET HG3 H 2.147 0.000 2 717 188 72 MET C C 179.407 0.010 1 718 188 72 MET CA C 57.906 0.004 1 719 188 72 MET CB C 32.006 0.000 1 720 188 72 MET N N 117.886 0.058 1 721 189 73 LYS H H 7.960 0.003 1 722 189 73 LYS HA H 4.057 0.000 1 723 189 73 LYS HB2 H 2.102 0.001 2 724 189 73 LYS HB3 H 1.927 0.000 2 725 189 73 LYS HG2 H 1.720 0.000 2 726 189 73 LYS HG3 H 1.491 0.000 2 727 189 73 LYS C C 177.449 0.006 1 728 189 73 LYS CA C 58.117 0.000 1 729 189 73 LYS CB C 32.393 0.025 1 730 189 73 LYS CG C 25.725 0.000 1 731 189 73 LYS N N 119.827 0.055 1 732 190 74 ALA H H 7.509 0.006 1 733 190 74 ALA HA H 4.017 0.000 1 734 190 74 ALA HB H 0.936 0.001 1 735 190 74 ALA C C 177.516 0.000 1 736 190 74 ALA CA C 53.110 0.000 1 737 190 74 ALA CB C 18.496 0.000 1 738 190 74 ALA N N 120.564 0.059 1 739 191 75 ARG H H 7.555 0.005 1 740 191 75 ARG HA H 3.805 0.001 1 741 191 75 ARG C C 175.141 0.000 1 742 191 75 ARG CA C 57.373 0.000 1 743 191 75 ARG CB C 27.396 0.000 1 744 191 75 ARG N N 111.864 0.059 1 745 192 76 LYS H H 7.810 0.001 1 746 192 76 LYS HA H 4.114 0.001 1 747 192 76 LYS HB2 H 1.748 0.000 2 748 192 76 LYS HB3 H 1.644 0.008 2 749 192 76 LYS HD2 H 1.182 0.000 2 750 192 76 LYS HD3 H 1.047 0.000 2 751 192 76 LYS C C 175.474 0.000 1 752 192 76 LYS CA C 55.502 0.000 1 753 192 76 LYS CB C 32.276 0.000 1 754 192 76 LYS N N 114.590 0.015 1 755 193 77 ARG H H 7.919 0.006 1 756 193 77 ARG HA H 4.048 0.000 1 757 193 77 ARG HG2 H 1.524 0.000 2 758 193 77 ARG HG3 H 1.451 0.000 2 759 193 77 ARG C C 176.378 0.000 1 760 193 77 ARG CA C 55.690 0.000 1 761 193 77 ARG CB C 30.476 0.000 1 762 193 77 ARG N N 119.199 0.001 1 763 194 78 LEU HA H 4.164 0.001 1 764 194 78 LEU HB2 H 1.095 0.001 2 765 194 78 LEU HB3 H 0.910 0.001 2 766 194 78 LEU HG H 1.397 0.004 1 767 194 78 LEU HD1 H -0.215 0.004 1 768 194 78 LEU HD2 H 0.126 0.005 1 769 194 78 LEU CD1 C 24.981 0.015 1 770 194 78 LEU CD2 C 21.896 0.025 1 771 195 79 PRO HA H 4.201 0.000 1 772 195 79 PRO C C 174.852 0.000 1 773 196 80 THR H H 6.538 0.011 1 774 196 80 THR HA H 4.534 0.007 1 775 196 80 THR HB H 4.005 0.013 1 776 196 80 THR HG2 H 0.697 0.008 1 777 196 80 THR C C 171.630 0.019 1 778 196 80 THR CA C 58.081 0.000 1 779 196 80 THR CB C 67.980 0.000 1 780 196 80 THR CG2 C 19.086 0.000 1 781 196 80 THR N N 110.203 0.045 1 782 197 81 THR H H 7.680 0.007 1 783 197 81 THR HA H 4.264 0.004 1 784 197 81 THR HB H 4.167 0.006 1 785 197 81 THR HG2 H 1.217 0.002 1 786 197 81 THR C C 174.701 0.004 1 787 197 81 THR CA C 61.767 0.000 1 788 197 81 THR CB C 68.383 0.001 1 789 197 81 THR CG2 C 23.072 0.000 1 790 197 81 THR N N 114.561 0.015 1 791 198 82 LEU H H 8.468 0.004 1 792 198 82 LEU HA H 3.998 0.008 1 793 198 82 LEU HB2 H 1.581 0.004 2 794 198 82 LEU HB3 H 1.579 0.000 2 795 198 82 LEU HG H 1.435 0.006 1 796 198 82 LEU HD1 H 0.714 0.000 1 797 198 82 LEU HD2 H 0.632 0.007 1 798 198 82 LEU C C 172.201 0.000 1 799 198 82 LEU CA C 52.714 0.001 1 800 198 82 LEU CB C 39.378 0.022 1 801 198 82 LEU CG C 26.324 0.000 1 802 198 82 LEU CD1 C 23.984 0.028 1 803 198 82 LEU CD2 C 23.997 0.117 1 804 198 82 LEU N N 127.098 0.097 1 805 199 83 PHE H H 6.377 0.006 1 806 199 83 PHE HA H 5.918 0.007 1 807 199 83 PHE HB2 H 2.526 0.006 2 808 199 83 PHE HB3 H 3.251 0.005 2 809 199 83 PHE HD1 H 6.968 0.006 3 810 199 83 PHE HD2 H 6.968 0.006 3 811 199 83 PHE HE1 H 7.312 0.009 3 812 199 83 PHE HE2 H 7.312 0.009 3 813 199 83 PHE C C 175.290 0.002 1 814 199 83 PHE CA C 53.664 0.000 1 815 199 83 PHE CB C 43.093 0.001 1 816 199 83 PHE CE1 C 130.372 0.000 3 817 199 83 PHE CE2 C 130.372 0.000 3 818 199 83 PHE N N 113.536 0.022 1 819 200 84 PHE H H 9.580 0.003 1 820 200 84 PHE HA H 5.271 0.005 1 821 200 84 PHE HB2 H 3.296 0.002 2 822 200 84 PHE HB3 H 3.084 0.003 2 823 200 84 PHE HD1 H 7.070 0.008 3 824 200 84 PHE HD2 H 7.070 0.008 3 825 200 84 PHE HE1 H 7.385 0.013 3 826 200 84 PHE HE2 H 7.385 0.013 3 827 200 84 PHE C C 172.737 0.000 1 828 200 84 PHE CA C 55.351 0.000 1 829 200 84 PHE CB C 43.155 0.005 1 830 200 84 PHE CD1 C 130.731 0.000 3 831 200 84 PHE CD2 C 130.731 0.000 3 832 200 84 PHE CE1 C 131.851 0.000 3 833 200 84 PHE CE2 C 131.851 0.000 3 834 200 84 PHE N N 116.599 0.037 1 835 201 85 ILE H H 9.420 0.012 1 836 201 85 ILE HA H 5.143 0.002 1 837 201 85 ILE HB H 2.059 0.004 1 838 201 85 ILE HG12 H 1.251 0.000 2 839 201 85 ILE HG13 H 0.974 0.007 2 840 201 85 ILE HG2 H 0.629 0.003 1 841 201 85 ILE HD1 H 0.792 0.006 1 842 201 85 ILE C C 178.704 0.000 1 843 201 85 ILE CA C 59.286 0.000 1 844 201 85 ILE CB C 41.287 0.000 1 845 201 85 ILE CG1 C 25.788 0.000 1 846 201 85 ILE CG2 C 17.712 0.000 1 847 201 85 ILE CD1 C 14.719 0.014 1 848 201 85 ILE N N 113.837 0.007 1 849 202 86 GLU H H 9.958 0.005 1 850 202 86 GLU HA H 3.624 0.002 1 851 202 86 GLU HB2 H 2.174 0.003 2 852 202 86 GLU HB3 H 2.065 0.004 2 853 202 86 GLU HG2 H 1.725 0.002 2 854 202 86 GLU HG3 H 1.474 0.004 2 855 202 86 GLU C C 178.536 0.000 1 856 202 86 GLU CA C 60.716 0.000 1 857 202 86 GLU CB C 29.010 0.000 1 858 202 86 GLU CG C 35.188 0.000 1 859 202 86 GLU N N 124.694 0.054 1 860 203 87 THR H H 7.664 0.009 1 861 203 87 THR HA H 3.695 0.000 1 862 203 87 THR HB H 4.325 0.002 1 863 203 87 THR HG2 H 1.180 0.000 1 864 203 87 THR C C 175.123 0.000 1 865 203 87 THR CA C 63.680 0.000 1 866 203 87 THR CB C 67.530 0.000 1 867 203 87 THR N N 106.316 0.030 1 868 204 88 ASP H H 7.612 0.008 1 869 204 88 ASP HA H 4.213 0.002 1 870 204 88 ASP HB2 H 2.490 0.004 2 871 204 88 ASP HB3 H 0.974 0.007 2 872 204 88 ASP C C 175.812 0.002 1 873 204 88 ASP CA C 56.498 0.000 1 874 204 88 ASP CB C 41.081 0.000 1 875 204 88 ASP N N 119.798 0.023 1 876 205 89 ILE H H 6.539 0.001 1 877 205 89 ILE HA H 3.812 0.004 1 878 205 89 ILE HB H 1.624 0.009 1 879 205 89 ILE HG12 H 1.403 0.000 2 880 205 89 ILE HG13 H 1.367 0.009 2 881 205 89 ILE HG2 H 0.996 1.639 1 882 205 89 ILE HD1 H -0.084 0.006 1 883 205 89 ILE C C 176.999 0.009 1 884 205 89 ILE CA C 58.507 0.000 1 885 205 89 ILE CB C 36.800 0.000 1 886 205 89 ILE CG1 C 28.083 0.000 1 887 205 89 ILE CG2 C 17.373 0.000 1 888 205 89 ILE CD1 C 11.105 5.682 1 889 205 89 ILE N N 113.176 0.102 1 890 206 90 ARG H H 7.724 0.004 1 891 206 90 ARG HA H 3.626 0.005 1 892 206 90 ARG C C 174.088 0.000 1 893 206 90 ARG CA C 62.065 0.005 1 894 206 90 ARG CB C 28.893 0.000 1 895 206 90 ARG N N 119.478 0.040 1 896 207 91 PRO C C 177.511 0.000 1 897 207 91 PRO CA C 65.046 0.000 1 898 207 91 PRO CB C 31.016 0.000 1 899 207 91 PRO CG C 27.753 0.000 1 900 207 91 PRO CD C 50.442 0.000 1 901 208 92 MET H H 7.550 0.002 1 902 208 92 MET HA H 4.175 0.000 1 903 208 92 MET HB2 H 2.069 0.000 2 904 208 92 MET HB3 H 2.066 0.000 2 905 208 92 MET HG2 H 2.578 0.000 2 906 208 92 MET HG3 H 2.478 0.000 2 907 208 92 MET C C 176.484 0.013 1 908 208 92 MET CA C 55.799 0.015 1 909 208 92 MET CB C 33.950 0.000 1 910 208 92 MET CG C 31.722 0.000 1 911 208 92 MET N N 113.478 0.031 1 912 209 93 LEU H H 7.302 0.007 1 913 209 93 LEU HA H 4.434 0.000 1 914 209 93 LEU HB2 H 1.804 0.003 2 915 209 93 LEU HB3 H 1.255 0.001 2 916 209 93 LEU HG H 1.497 0.000 1 917 209 93 LEU HD1 H 0.755 0.010 1 918 209 93 LEU HD2 H 0.735 0.008 1 919 209 93 LEU C C 176.935 0.008 1 920 209 93 LEU CA C 52.855 0.000 1 921 209 93 LEU CB C 42.859 0.000 1 922 209 93 LEU CG C 26.079 0.000 1 923 209 93 LEU CD1 C 23.172 0.031 1 924 209 93 LEU CD2 C 23.209 0.029 1 925 209 93 LEU N N 117.902 0.054 1 926 210 94 GLN H H 8.676 0.002 1 927 210 94 GLN HA H 4.167 0.000 1 928 210 94 GLN HB2 H 2.167 0.000 2 929 210 94 GLN HB3 H 1.913 0.000 2 930 210 94 GLN HG2 H 2.504 0.000 2 931 210 94 GLN HG3 H 2.438 0.000 2 932 210 94 GLN C C 177.564 0.001 1 933 210 94 GLN CA C 56.091 0.013 1 934 210 94 GLN CB C 29.163 0.000 1 935 210 94 GLN CG C 33.899 0.000 1 936 210 94 GLN N N 121.452 0.152 1 937 211 95 ASP H H 8.804 0.000 1 938 211 95 ASP HA H 3.884 0.000 1 939 211 95 ASP HB2 H 2.619 0.000 2 940 211 95 ASP HB3 H 2.583 0.000 2 941 211 95 ASP C C 178.989 0.000 1 942 211 95 ASP CA C 58.493 0.000 1 943 211 95 ASP CB C 40.180 0.018 1 944 211 95 ASP N N 123.372 0.000 1 945 212 96 ARG H H 8.653 0.002 1 946 212 96 ARG HA H 4.089 0.000 1 947 212 96 ARG HB2 H 1.836 0.000 2 948 212 96 ARG HB3 H 1.750 0.000 2 949 212 96 ARG HG2 H 1.512 0.000 2 950 212 96 ARG HG3 H 1.478 0.000 2 951 212 96 ARG HD3 H 3.122 0.000 1 952 212 96 ARG C C 176.852 0.000 1 953 212 96 ARG CA C 57.807 0.000 1 954 212 96 ARG CB C 29.431 0.000 1 955 212 96 ARG CG C 26.722 0.000 1 956 212 96 ARG CD C 42.918 0.000 1 957 212 96 ARG N N 115.305 0.074 1 958 213 97 LEU H H 7.778 0.002 1 959 213 97 LEU HA H 4.390 0.000 1 960 213 97 LEU HB2 H 1.690 0.000 2 961 213 97 LEU HB3 H 1.575 0.000 2 962 213 97 LEU HG H 1.571 0.001 1 963 213 97 LEU HD1 H 0.936 0.000 1 964 213 97 LEU HD2 H 0.876 0.008 1 965 213 97 LEU C C 177.465 0.012 1 966 213 97 LEU CA C 54.411 0.000 1 967 213 97 LEU CB C 44.094 0.012 1 968 213 97 LEU CG C 27.323 0.000 1 969 213 97 LEU CD1 C 24.068 0.030 1 970 213 97 LEU CD2 C 24.079 0.016 1 971 213 97 LEU N N 118.479 0.020 1 972 214 98 ARG H H 7.553 0.001 1 973 214 98 ARG HA H 3.909 0.000 1 974 214 98 ARG C C 176.002 0.000 1 975 214 98 ARG CA C 62.291 0.001 1 976 214 98 ARG CB C 27.825 0.000 1 977 214 98 ARG N N 119.863 0.000 1 978 215 99 PRO C C 177.791 0.000 1 979 215 99 PRO CA C 64.875 0.000 1 980 215 99 PRO CB C 31.223 0.000 1 981 215 99 PRO CG C 27.870 0.000 1 982 215 99 PRO CD C 50.786 0.000 1 983 216 100 SER H H 7.626 0.013 1 984 216 100 SER HA H 4.360 0.000 1 985 216 100 SER HB2 H 3.942 0.001 2 986 216 100 SER HB3 H 3.859 0.000 2 987 216 100 SER C C 174.384 0.014 1 988 216 100 SER CA C 59.923 0.000 1 989 216 100 SER CB C 63.304 0.012 1 990 216 100 SER N N 111.360 0.052 1 991 217 101 PHE H H 7.725 0.004 1 992 217 101 PHE HA H 3.707 0.002 1 993 217 101 PHE HB2 H 2.822 0.005 2 994 217 101 PHE HB3 H 3.290 0.004 2 995 217 101 PHE HD1 H 6.934 0.006 3 996 217 101 PHE HD2 H 6.934 0.006 3 997 217 101 PHE HE1 H 7.011 0.009 3 998 217 101 PHE HE2 H 7.011 0.009 3 999 217 101 PHE C C 175.633 0.000 1 1000 217 101 PHE CA C 62.716 0.000 1 1001 217 101 PHE CB C 38.798 0.002 1 1002 217 101 PHE CE1 C 130.731 0.000 3 1003 217 101 PHE CE2 C 130.731 0.000 3 1004 217 101 PHE N N 123.321 0.072 1 1005 218 102 ALA H H 8.527 0.003 1 1006 218 102 ALA HA H 3.877 0.002 1 1007 218 102 ALA HB H 1.455 0.004 1 1008 218 102 ALA C C 180.479 0.000 1 1009 218 102 ALA CA C 54.538 0.010 1 1010 218 102 ALA CB C 18.130 0.001 1 1011 218 102 ALA N N 117.406 0.095 1 1012 219 103 LYS H H 7.010 0.013 1 1013 219 103 LYS HA H 4.074 0.005 1 1014 219 103 LYS HB2 H 2.029 0.000 2 1015 219 103 LYS HB3 H 1.801 0.000 2 1016 219 103 LYS HD2 H 1.621 0.000 2 1017 219 103 LYS HD3 H 1.523 0.000 2 1018 219 103 LYS C C 177.982 0.000 1 1019 219 103 LYS CA C 56.736 0.000 1 1020 219 103 LYS CB C 32.047 0.000 1 1021 219 103 LYS CD C 28.370 0.000 1 1022 219 103 LYS N N 115.057 0.033 1 1023 220 104 ALA H H 7.955 0.001 1 1024 220 104 ALA HA H 3.809 0.001 1 1025 220 104 ALA HB H 1.195 0.002 1 1026 220 104 ALA C C 179.254 0.002 1 1027 220 104 ALA CA C 53.999 0.000 1 1028 220 104 ALA CB C 17.915 0.000 1 1029 220 104 ALA N N 119.918 0.073 1 1030 221 105 ILE H H 7.033 0.005 1 1031 221 105 ILE HA H 3.449 0.001 1 1032 221 105 ILE HB H 2.072 0.005 1 1033 221 105 ILE HG12 H 0.884 0.000 2 1034 221 105 ILE HG13 H 0.820 0.000 2 1035 221 105 ILE HG2 H 0.713 0.000 1 1036 221 105 ILE HD1 H -0.376 0.006 1 1037 221 105 ILE C C 175.141 0.000 1 1038 221 105 ILE CA C 64.199 0.000 1 1039 221 105 ILE CB C 32.997 0.000 1 1040 221 105 ILE CD1 C 7.774 0.155 1 1041 221 105 ILE N N 115.966 0.074 1 1042 222 106 PRO HA H 4.033 0.002 1 1043 222 106 PRO HB2 H 2.294 0.010 2 1044 222 106 PRO HB3 H 1.770 0.001 2 1045 222 106 PRO C C 179.530 0.000 1 1046 222 106 PRO CA C 65.922 0.075 1 1047 222 106 PRO CB C 30.963 0.010 1 1048 222 106 PRO CG C 28.071 0.000 1 1049 222 106 PRO CD C 49.326 0.000 1 1050 223 107 CYS H H 6.563 0.008 1 1051 223 107 CYS HA H 3.874 0.001 1 1052 223 107 CYS HB2 H 3.139 0.001 2 1053 223 107 CYS HB3 H 2.432 0.005 2 1054 223 107 CYS C C 175.998 0.009 1 1055 223 107 CYS CA C 61.937 0.000 1 1056 223 107 CYS CB C 26.904 0.091 1 1057 223 107 CYS N N 115.518 0.064 1 1058 224 108 LEU H H 7.955 0.004 1 1059 224 108 LEU HA H 3.854 0.001 1 1060 224 108 LEU HB2 H 1.811 0.000 1 1061 224 108 LEU HB3 H 1.864 0.000 1 1062 224 108 LEU HG H 1.616 0.000 1 1063 224 108 LEU HD1 H 0.497 0.002 1 1064 224 108 LEU HD2 H 0.568 0.009 1 1065 224 108 LEU C C 179.633 0.000 1 1066 224 108 LEU CA C 56.572 0.036 1 1067 224 108 LEU CB C 41.977 0.133 1 1068 224 108 LEU CD1 C 25.732 0.006 1 1069 224 108 LEU CD2 C 23.493 0.021 1 1070 224 108 LEU N N 117.929 0.162 1 1071 225 109 ARG H H 8.508 0.004 1 1072 225 109 ARG HA H 4.394 0.000 1 1073 225 109 ARG HB2 H 1.774 0.000 2 1074 225 109 ARG HB3 H 1.960 0.000 2 1075 225 109 ARG HG2 H 1.701 0.000 2 1076 225 109 ARG HG3 H 1.435 0.000 2 1077 225 109 ARG HD2 H 3.210 0.000 2 1078 225 109 ARG HD3 H 3.085 0.000 2 1079 225 109 ARG C C 180.726 0.010 1 1080 225 109 ARG CA C 58.461 0.006 1 1081 225 109 ARG CB C 30.267 0.000 1 1082 225 109 ARG CG C 27.271 0.000 1 1083 225 109 ARG CD C 43.593 0.000 1 1084 225 109 ARG N N 120.546 0.064 1 1085 226 110 HIS H H 8.001 0.004 1 1086 226 110 HIS HA H 4.086 0.000 1 1087 226 110 HIS HB3 H 3.278 0.003 1 1088 226 110 HIS C C 177.228 0.000 1 1089 226 110 HIS CA C 60.758 0.000 1 1090 226 110 HIS CB C 30.895 0.000 1 1091 226 110 HIS N N 122.190 0.043 1 1092 227 111 ILE H H 6.910 0.007 1 1093 227 111 ILE HA H 4.337 0.005 1 1094 227 111 ILE HB H 2.181 0.001 1 1095 227 111 ILE HG2 H 0.864 0.001 1 1096 227 111 ILE HD1 H 0.728 0.009 1 1097 227 111 ILE C C 174.501 0.000 1 1098 227 111 ILE CA C 60.593 0.000 1 1099 227 111 ILE CB C 36.950 0.000 1 1100 227 111 ILE CG2 C 18.451 0.020 1 1101 227 111 ILE CD1 C 15.209 0.026 1 1102 227 111 ILE N N 105.612 0.001 1 1103 228 112 ARG H H 7.664 0.005 1 1104 228 112 ARG HA H 3.901 0.001 1 1105 228 112 ARG HD2 H 3.048 0.000 2 1106 228 112 ARG HD3 H 3.124 0.000 2 1107 228 112 ARG C C 175.834 0.000 1 1108 228 112 ARG CA C 57.315 0.015 1 1109 228 112 ARG CB C 26.043 0.004 1 1110 228 112 ARG CD C 42.991 0.000 1 1111 228 112 ARG N N 114.779 0.007 1 1112 229 113 ARG H H 8.154 0.006 1 1113 229 113 ARG HA H 4.250 0.000 1 1114 229 113 ARG HG2 H 1.769 0.000 2 1115 229 113 ARG HG3 H 1.678 0.000 2 1116 229 113 ARG C C 177.454 0.000 1 1117 229 113 ARG CA C 55.654 0.007 1 1118 229 113 ARG CB C 33.122 0.000 1 1119 229 113 ARG CG C 26.848 0.000 1 1120 229 113 ARG N N 114.992 0.000 1 1121 230 114 ILE H H 6.814 0.005 1 1122 230 114 ILE HA H 4.871 0.004 1 1123 230 114 ILE HB H 1.572 0.002 1 1124 230 114 ILE HG12 H 1.076 0.003 2 1125 230 114 ILE HG13 H 1.073 0.000 2 1126 230 114 ILE HD1 H 0.729 0.006 1 1127 230 114 ILE C C 173.553 0.000 1 1128 230 114 ILE CA C 56.602 0.000 1 1129 230 114 ILE CB C 42.400 0.024 1 1130 230 114 ILE CG1 C 26.575 0.000 1 1131 230 114 ILE CD1 C 12.422 0.020 1 1132 230 114 ILE N N 112.026 0.022 1 1133 231 115 ARG H H 8.809 0.009 1 1134 231 115 ARG HA H 4.359 0.003 1 1135 231 115 ARG HB2 H 0.630 0.000 2 1136 231 115 ARG HB3 H 0.577 0.001 2 1137 231 115 ARG HG2 H 1.450 0.000 2 1138 231 115 ARG HG3 H 1.257 0.000 2 1139 231 115 ARG C C 173.312 0.000 1 1140 231 115 ARG CA C 54.112 0.000 1 1141 231 115 ARG CB C 32.961 0.065 1 1142 231 115 ARG CG C 27.301 0.005 1 1143 231 115 ARG N N 122.922 0.047 1 1144 232 116 GLU H H 8.332 0.005 1 1145 232 116 GLU HA H 5.315 0.000 1 1146 232 116 GLU HB2 H 1.711 0.001 2 1147 232 116 GLU HB3 H 1.559 0.004 2 1148 232 116 GLU C C 175.332 0.000 1 1149 232 116 GLU CA C 53.102 0.002 1 1150 232 116 GLU CB C 34.934 0.051 1 1151 232 116 GLU N N 118.952 0.038 1 1152 233 117 GLU H H 9.031 0.007 1 1153 233 117 GLU HA H 4.531 0.000 1 1154 233 117 GLU HB2 H 1.828 0.000 1 1155 233 117 GLU HG2 H 2.034 0.000 2 1156 233 117 GLU HG3 H 1.973 0.000 2 1157 233 117 GLU C C 174.512 0.002 1 1158 233 117 GLU CA C 55.112 0.000 1 1159 233 117 GLU CB C 33.333 0.000 1 1160 233 117 GLU CG C 35.487 0.000 1 1161 233 117 GLU N N 124.548 0.118 1 1162 234 118 ARG H H 8.952 0.001 1 1163 234 118 ARG HA H 4.611 0.001 1 1164 234 118 ARG HB2 H 1.790 0.009 2 1165 234 118 ARG HB3 H 1.677 0.005 2 1166 234 118 ARG HG3 H 1.496 0.001 1 1167 234 118 ARG HD3 H 3.057 0.004 1 1168 234 118 ARG C C 176.108 0.000 1 1169 234 118 ARG CA C 55.793 0.001 1 1170 234 118 ARG CB C 30.141 0.000 1 1171 234 118 ARG CG C 27.102 0.000 1 1172 234 118 ARG CD C 42.988 0.000 1 1173 234 118 ARG N N 127.826 0.142 1 1174 235 119 CYS H H 8.835 0.006 1 1175 235 119 CYS HA H 4.660 0.004 1 1176 235 119 CYS HB2 H 2.939 0.003 2 1177 235 119 CYS HB3 H 2.767 0.002 2 1178 235 119 CYS C C 174.829 0.000 1 1179 235 119 CYS CA C 56.448 0.001 1 1180 235 119 CYS CB C 28.192 0.096 1 1181 235 119 CYS N N 126.748 0.069 1 1182 236 120 GLY H H 8.873 0.000 1 1183 236 120 GLY HA2 H 4.201 0.004 2 1184 236 120 GLY HA3 H 3.504 0.006 2 1185 236 120 GLY C C 173.404 0.000 1 1186 236 120 GLY CA C 44.512 0.001 1 1187 236 120 GLY N N 117.456 0.000 1 1188 237 121 PRO C C 175.713 0.000 1 1189 237 121 PRO CA C 63.283 0.000 1 1190 237 121 PRO CB C 32.263 0.000 1 1191 237 121 PRO CG C 26.083 0.000 1 1192 237 121 PRO CD C 50.437 0.000 1 1193 238 122 LEU H H 7.275 0.008 1 1194 238 122 LEU HA H 4.440 0.004 1 1195 238 122 LEU HB2 H 1.494 0.003 2 1196 238 122 LEU HB3 H 0.908 0.004 2 1197 238 122 LEU HG H 1.237 0.005 1 1198 238 122 LEU HD1 H 0.786 0.001 1 1199 238 122 LEU HD2 H 0.663 0.008 1 1200 238 122 LEU C C 175.067 0.014 1 1201 238 122 LEU CA C 53.609 0.000 1 1202 238 122 LEU CB C 44.979 0.022 1 1203 238 122 LEU CG C 26.878 0.000 1 1204 238 122 LEU CD1 C 25.434 0.000 1 1205 238 122 LEU CD2 C 24.051 0.091 1 1206 238 122 LEU N N 121.755 0.048 1 1207 239 123 THR H H 7.649 0.000 1 1208 239 123 THR HA H 4.407 0.000 1 1209 239 123 THR HB H 3.556 0.006 1 1210 239 123 THR HG2 H 0.488 0.003 1 1211 239 123 THR C C 172.077 0.000 1 1212 239 123 THR CA C 61.769 0.003 1 1213 239 123 THR CB C 69.263 0.000 1 1214 239 123 THR CG2 C 22.163 0.000 1 1215 239 123 THR N N 118.682 0.000 1 1216 240 124 PHE H H 8.563 0.010 1 1217 240 124 PHE HA H 4.272 0.002 1 1218 240 124 PHE HB2 H 2.678 0.002 2 1219 240 124 PHE HB3 H 2.327 0.002 2 1220 240 124 PHE HD1 H 6.558 0.006 3 1221 240 124 PHE HD2 H 6.558 0.006 3 1222 240 124 PHE HE1 H 6.634 0.007 3 1223 240 124 PHE HE2 H 6.634 0.007 3 1224 240 124 PHE C C 173.544 0.000 1 1225 240 124 PHE CA C 56.587 0.000 1 1226 240 124 PHE CB C 42.202 0.004 1 1227 240 124 PHE CD1 C 131.756 0.000 3 1228 240 124 PHE CD2 C 131.756 0.000 3 1229 240 124 PHE N N 125.193 0.081 1 1230 241 125 TYR H H 8.619 0.004 1 1231 241 125 TYR HA H 5.283 0.005 1 1232 241 125 TYR HB2 H 1.995 0.004 2 1233 241 125 TYR HB3 H 0.781 0.000 2 1234 241 125 TYR HD1 H 6.642 0.013 3 1235 241 125 TYR HD2 H 6.642 0.013 3 1236 241 125 TYR HE1 H 6.746 0.009 3 1237 241 125 TYR HE2 H 6.746 0.009 3 1238 241 125 TYR C C 174.710 0.000 1 1239 241 125 TYR CA C 55.750 0.004 1 1240 241 125 TYR CB C 40.013 0.006 1 1241 241 125 TYR CD1 C 133.175 0.000 3 1242 241 125 TYR CD2 C 133.175 0.000 3 1243 241 125 TYR CE1 C 117.736 0.000 3 1244 241 125 TYR CE2 C 117.736 0.000 3 1245 241 125 TYR N N 118.495 0.059 1 1246 242 126 TYR H H 8.360 0.005 1 1247 242 126 TYR HA H 5.270 0.015 1 1248 242 126 TYR HB2 H 2.931 0.007 2 1249 242 126 TYR HB3 H 2.834 0.002 2 1250 242 126 TYR HD1 H 6.725 0.003 3 1251 242 126 TYR HD2 H 6.725 0.003 3 1252 242 126 TYR HE1 H 6.410 0.002 3 1253 242 126 TYR HE2 H 6.410 0.002 3 1254 242 126 TYR C C 172.392 0.000 1 1255 242 126 TYR CA C 53.928 0.000 1 1256 242 126 TYR CB C 38.082 0.002 1 1257 242 126 TYR CD1 C 133.992 0.000 3 1258 242 126 TYR CD2 C 133.992 0.000 3 1259 242 126 TYR CE1 C 117.660 0.000 3 1260 242 126 TYR CE2 C 117.660 0.000 3 1261 242 126 TYR N N 115.841 0.017 1 1262 243 127 PRO HA H 4.622 0.003 1 1263 243 127 PRO HB2 H 2.146 0.003 2 1264 243 127 PRO HB3 H 2.297 0.008 2 1265 243 127 PRO HG2 H 1.674 0.016 1 1266 243 127 PRO CA C 62.929 0.000 1 1267 243 127 PRO CB C 32.453 0.000 1 1268 243 127 PRO CG C 28.462 0.000 1 1269 243 127 PRO CD C 51.038 0.000 1 1270 244 128 GLY H H 7.733 0.004 1 1271 244 128 GLY HA2 H 3.816 0.009 2 1272 244 128 GLY HA3 H 3.641 0.007 2 1273 244 128 GLY C C 173.605 0.003 1 1274 244 128 GLY CA C 44.707 0.001 1 1275 244 128 GLY N N 107.997 0.090 1 1276 245 129 SER H H 8.105 0.004 1 1277 245 129 SER HA H 4.443 0.007 1 1278 245 129 SER HB2 H 3.863 0.006 2 1279 245 129 SER HB3 H 3.786 0.002 2 1280 245 129 SER C C 174.743 0.005 1 1281 245 129 SER CA C 57.566 0.003 1 1282 245 129 SER CB C 63.772 0.000 1 1283 245 129 SER N N 114.218 0.019 1 1284 246 130 SER H H 8.396 0.013 1 1285 246 130 SER C C 174.350 0.000 1 1286 246 130 SER CA C 58.909 0.000 1 1287 246 130 SER CB C 63.810 0.000 1 1288 246 130 SER N N 117.850 0.116 1 stop_ save_