data_27301 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain assignments of Scm3 from Saccharomyces cerevisiae ; _BMRB_accession_number 27301 _BMRB_flat_file_name bmr27301.str _Entry_type original _Submission_date 2017-11-07 _Accession_date 2017-11-07 _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 Bhattacharya Anusri . . 2 Shukla Vaibhav Kumar . 3 Hosur Ramakrishna V. . 4 Kumar Ashutosh . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1081 "13C chemical shifts" 754 "15N chemical shifts" 203 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-12 update BMRB 'update entry citation' 2019-04-12 original author 'original release' stop_ _Original_release_date 2017-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain resonance assignments of centromeric protein Scm3 from Saccharomyces cerevisiae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30937734 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Anusri . . 2 Shukla Vaibhav Kumar . 3 Hosur Ramakrishna V. . 4 Kumar Ashutosh . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 267 _Page_last 273 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Scm3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Scm3 $Scm3 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_Scm3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Scm3 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 223 _Mol_residue_sequence ; MKTNKKISKRRSLKNLHGAL KGLLKESGKKSESKIRKHSD CNPVHRVYPPNIEKRKTKKD DGISRPIAERNGHVYIMSKE NHIIPKLTDDEVMERHKLAD ENMRKVWSNIISKYESIEEQ GDLVDLKTGEIVEDNGHIKT LTANNSTKDKRTKYTSVLRD IIDISDEEDGDKNDEYTLWA NDSEASDSEVDADNDTEEEK DEKLIDADFKKYEAKLSKRI LRD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 THR 4 ASN 5 LYS 6 LYS 7 ILE 8 SER 9 LYS 10 ARG 11 ARG 12 SER 13 LEU 14 LYS 15 ASN 16 LEU 17 HIS 18 GLY 19 ALA 20 LEU 21 LYS 22 GLY 23 LEU 24 LEU 25 LYS 26 GLU 27 SER 28 GLY 29 LYS 30 LYS 31 SER 32 GLU 33 SER 34 LYS 35 ILE 36 ARG 37 LYS 38 HIS 39 SER 40 ASP 41 CYS 42 ASN 43 PRO 44 VAL 45 HIS 46 ARG 47 VAL 48 TYR 49 PRO 50 PRO 51 ASN 52 ILE 53 GLU 54 LYS 55 ARG 56 LYS 57 THR 58 LYS 59 LYS 60 ASP 61 ASP 62 GLY 63 ILE 64 SER 65 ARG 66 PRO 67 ILE 68 ALA 69 GLU 70 ARG 71 ASN 72 GLY 73 HIS 74 VAL 75 TYR 76 ILE 77 MET 78 SER 79 LYS 80 GLU 81 ASN 82 HIS 83 ILE 84 ILE 85 PRO 86 LYS 87 LEU 88 THR 89 ASP 90 ASP 91 GLU 92 VAL 93 MET 94 GLU 95 ARG 96 HIS 97 LYS 98 LEU 99 ALA 100 ASP 101 GLU 102 ASN 103 MET 104 ARG 105 LYS 106 VAL 107 TRP 108 SER 109 ASN 110 ILE 111 ILE 112 SER 113 LYS 114 TYR 115 GLU 116 SER 117 ILE 118 GLU 119 GLU 120 GLN 121 GLY 122 ASP 123 LEU 124 VAL 125 ASP 126 LEU 127 LYS 128 THR 129 GLY 130 GLU 131 ILE 132 VAL 133 GLU 134 ASP 135 ASN 136 GLY 137 HIS 138 ILE 139 LYS 140 THR 141 LEU 142 THR 143 ALA 144 ASN 145 ASN 146 SER 147 THR 148 LYS 149 ASP 150 LYS 151 ARG 152 THR 153 LYS 154 TYR 155 THR 156 SER 157 VAL 158 LEU 159 ARG 160 ASP 161 ILE 162 ILE 163 ASP 164 ILE 165 SER 166 ASP 167 GLU 168 GLU 169 ASP 170 GLY 171 ASP 172 LYS 173 ASN 174 ASP 175 GLU 176 TYR 177 THR 178 LEU 179 TRP 180 ALA 181 ASN 182 ASP 183 SER 184 GLU 185 ALA 186 SER 187 ASP 188 SER 189 GLU 190 VAL 191 ASP 192 ALA 193 ASP 194 ASN 195 ASP 196 THR 197 GLU 198 GLU 199 GLU 200 LYS 201 ASP 202 GLU 203 LYS 204 LEU 205 ILE 206 ASP 207 ALA 208 ASP 209 PHE 210 LYS 211 LYS 212 TYR 213 GLU 214 ALA 215 LYS 216 LEU 217 SER 218 LYS 219 ARG 220 ILE 221 LEU 222 ARG 223 ASP 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 $Scm3 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Scm3 'recombinant technology' . Escherichia coli . pHAT2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 15N loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' DTT 5 mM 'natural abundance' $Scm3 1 mM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N 13C' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' DTT 5 mM 'natural abundance' $Scm3 1 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model ASCEND _Field_strength 750 _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_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HCCcoNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCcoNH' _Sample_label $sample_2 save_ save_3D_CCcoNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCcoNH' _Sample_label $sample_2 save_ save_3D_HNN_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_MUSIC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D MUSIC' _Sample_label $sample_2 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' 500 . mM pH 7.4 . pH pressure 1 . atm temperature 283 . 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' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D HCCcoNH' '3D CCcoNH' '3D HNN' '3D 1H-15N TOCSY' '2D MUSIC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Scm3 _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 2 2 LYS H H 8.281 0.020 1 2 2 2 LYS HA H 4.162 0.020 1 3 2 2 LYS HB2 H 1.614 0.020 1 4 2 2 LYS HB3 H 1.614 0.020 1 5 2 2 LYS HG2 H 1.248 0.020 1 6 2 2 LYS HG3 H 1.248 0.020 1 7 2 2 LYS HD2 H 1.614 0.020 1 8 2 2 LYS HD3 H 1.614 0.020 1 9 2 2 LYS HE2 H 2.512 0.020 1 10 2 2 LYS HE3 H 2.512 0.020 1 11 2 2 LYS C C 176.536 0.3 1 12 2 2 LYS CA C 56.470 0.3 1 13 2 2 LYS CB C 33.047 0.3 1 14 2 2 LYS CG C 24.797 0.3 1 15 2 2 LYS CE C 40.996 0.3 1 16 2 2 LYS N N 123.446 0.3 1 17 3 3 THR H H 8.082 0.020 1 18 3 3 THR HA H 4.198 0.020 1 19 3 3 THR HB H 3.685 0.020 1 20 3 3 THR CA C 61.246 0.3 1 21 3 3 THR CB C 70.142 0.3 1 22 3 3 THR N N 115.905 0.3 1 23 5 5 LYS H H 8.057 0.020 1 24 5 5 LYS HA H 4.088 0.020 1 25 5 5 LYS HB2 H 1.523 0.020 1 26 5 5 LYS HB3 H 1.523 0.020 1 27 5 5 LYS HG2 H 1.230 0.020 1 28 5 5 LYS HG3 H 1.230 0.020 1 29 5 5 LYS HD2 H 1.523 0.020 1 30 5 5 LYS HD3 H 1.523 0.020 1 31 5 5 LYS HE2 H 2.604 0.020 1 32 5 5 LYS HE3 H 2.604 0.020 1 33 5 5 LYS C C 175.357 0.3 1 34 5 5 LYS CA C 56.288 0.3 1 35 5 5 LYS CB C 32.243 0.3 1 36 5 5 LYS CG C 24.697 0.3 1 37 5 5 LYS CE C 41.398 0.3 1 38 5 5 LYS N N 119.840 0.3 1 39 6 6 LYS H H 8.153 0.020 1 40 6 6 LYS HA H 4.070 0.020 1 41 6 6 LYS HB2 H 1.541 0.020 1 42 6 6 LYS HB3 H 1.541 0.020 1 43 6 6 LYS HG2 H 1.193 0.020 1 44 6 6 LYS HG3 H 1.193 0.020 1 45 6 6 LYS HD2 H 1.541 0.020 1 46 6 6 LYS HD3 H 1.541 0.020 1 47 6 6 LYS HE2 H 2.567 0.020 2 48 6 6 LYS HE3 H 2.604 0.020 2 49 6 6 LYS C C 176.825 0.3 1 50 6 6 LYS CA C 56.490 0.3 1 51 6 6 LYS CB C 32.645 0.3 1 52 6 6 LYS CG C 24.797 0.3 1 53 6 6 LYS CE C 42.102 0.3 1 54 6 6 LYS N N 122.176 0.3 1 55 7 7 ILE H H 8.044 0.020 1 56 7 7 ILE HA H 3.923 0.020 1 57 7 7 ILE HG2 H 0.680 0.020 1 58 7 7 ILE HD1 H 0.680 0.020 1 59 7 7 ILE C C 176.515 0.3 1 60 7 7 ILE CA C 61.118 0.3 1 61 7 7 ILE CB C 39.084 0.3 1 62 7 7 ILE CG1 C 27.313 0.3 1 63 7 7 ILE CG2 C 17.453 0.3 1 64 7 7 ILE N N 122.624 0.3 1 65 8 8 SER H H 8.278 0.020 1 66 8 8 SER HA H 4.033 0.020 1 67 8 8 SER HB2 H 3.648 0.020 1 68 8 8 SER HB3 H 3.648 0.020 1 69 8 8 SER C C 174.779 0.3 1 70 8 8 SER CA C 58.424 0.3 1 71 8 8 SER CB C 63.797 0.3 1 72 8 8 SER N N 120.549 0.3 1 73 9 9 LYS H H 8.237 0.020 1 74 9 9 LYS HA H 4.125 0.020 1 75 9 9 LYS HB2 H 1.651 0.020 1 76 9 9 LYS HB3 H 1.651 0.020 1 77 9 9 LYS HG2 H 1.266 0.020 1 78 9 9 LYS HG3 H 1.266 0.020 1 79 9 9 LYS HD2 H 1.651 0.020 1 80 9 9 LYS HD3 H 1.651 0.020 1 81 9 9 LYS HE2 H 2.806 0.020 1 82 9 9 LYS HE3 H 2.806 0.020 1 83 9 9 LYS C C 176.479 0.3 1 84 9 9 LYS CA C 56.791 0.3 1 85 9 9 LYS CB C 32.645 0.3 1 86 9 9 LYS CG C 24.697 0.3 1 87 9 9 LYS CE C 41.197 0.3 1 88 9 9 LYS N N 123.824 0.3 1 89 10 10 ARG H H 8.238 0.020 1 90 10 10 ARG HA H 4.088 0.020 1 91 10 10 ARG HB2 H 1.596 0.020 1 92 10 10 ARG HB3 H 1.596 0.020 1 93 10 10 ARG HG2 H 1.193 0.020 1 94 10 10 ARG HG3 H 1.193 0.020 1 95 10 10 ARG C C 176.972 0.3 1 96 10 10 ARG CA C 56.275 0.3 1 97 10 10 ARG CB C 30.733 0.3 1 98 10 10 ARG CG C 24.797 0.3 1 99 10 10 ARG N N 122.177 0.3 1 100 11 11 ARG H H 8.003 0.020 1 101 11 11 ARG HA H 4.180 0.020 1 102 11 11 ARG HG2 H 1.468 0.020 1 103 11 11 ARG HG3 H 1.468 0.020 1 104 11 11 ARG HD2 H 3.044 0.020 1 105 11 11 ARG HD3 H 3.044 0.020 1 106 11 11 ARG C C 176.706 0.3 1 107 11 11 ARG CB C 30.754 0.3 1 108 11 11 ARG N N 122.717 0.3 1 109 12 12 SER H H 8.210 0.020 1 110 12 12 SER HA H 3.997 0.020 1 111 12 12 SER CA C 58.552 0.3 1 112 12 12 SER CB C 63.974 0.3 1 113 12 12 SER N N 116.555 0.3 1 114 13 13 LEU H H 8.198 0.020 1 115 13 13 LEU HA H 4.253 0.020 1 116 13 13 LEU HB2 H 1.468 0.020 1 117 13 13 LEU HB3 H 1.468 0.020 1 118 13 13 LEU C C 176.515 0.3 1 119 13 13 LEU CA C 55.685 0.3 1 120 13 13 LEU CB C 42.505 0.3 1 121 13 13 LEU CG C 27.413 0.3 1 122 13 13 LEU N N 124.953 0.3 1 123 14 14 LYS H H 8.131 0.020 1 124 14 14 LYS HA H 4.107 0.020 1 125 14 14 LYS HB2 H 1.559 0.020 1 126 14 14 LYS HB3 H 1.559 0.020 1 127 14 14 LYS HG2 H 1.230 0.020 1 128 14 14 LYS HG3 H 1.230 0.020 1 129 14 14 LYS HD2 H 1.559 0.020 1 130 14 14 LYS HD3 H 1.559 0.020 1 131 14 14 LYS HE2 H 2.567 0.020 1 132 14 14 LYS HE3 H 2.567 0.020 1 133 14 14 LYS C C 176.881 0.3 1 134 14 14 LYS CA C 56.763 0.3 1 135 14 14 LYS CB C 32.828 0.3 1 136 14 14 LYS CG C 24.797 0.3 1 137 14 14 LYS CD C 30.432 0.3 1 138 14 14 LYS CE C 41.096 0.3 1 139 14 14 LYS N N 121.994 0.3 1 140 15 15 ASN H H 8.213 0.020 1 141 15 15 ASN HA H 4.363 0.020 1 142 15 15 ASN HB2 H 2.457 0.020 1 143 15 15 ASN HB3 H 2.457 0.020 1 144 15 15 ASN CA C 54.659 0.3 1 145 15 15 ASN CB C 41.076 0.3 1 146 15 15 ASN N N 120.967 0.3 1 147 18 18 GLY H H 8.209 0.020 1 148 18 18 GLY HA2 H 3.722 0.020 1 149 18 18 GLY HA3 H 3.722 0.020 1 150 18 18 GLY C C 174.460 0.3 1 151 18 18 GLY CA C 45.523 0.3 1 152 18 18 GLY N N 109.573 0.3 1 153 19 19 ALA H H 8.019 0.020 1 154 19 19 ALA HA H 3.978 0.020 1 155 19 19 ALA HB H 1.175 0.020 1 156 19 19 ALA C C 174.275 0.3 1 157 19 19 ALA CA C 53.504 0.3 1 158 19 19 ALA CB C 18.962 0.3 1 159 19 19 ALA N N 123.560 0.3 1 160 20 20 LEU H H 8.156 0.020 1 161 20 20 LEU HA H 4.059 0.020 1 162 20 20 LEU HB2 H 1.420 0.020 1 163 20 20 LEU HB3 H 1.420 0.020 1 164 20 20 LEU HG H 1.420 0.020 1 165 20 20 LEU HD1 H 0.706 0.020 1 166 20 20 LEU HD2 H 0.706 0.020 1 167 20 20 LEU C C 177.860 0.3 1 168 20 20 LEU CA C 55.685 0.3 1 169 20 20 LEU CB C 42.203 0.3 1 170 20 20 LEU N N 118.236 0.3 1 171 21 21 LYS H H 8.314 0.020 1 172 21 21 LYS HA H 4.180 0.020 1 173 21 21 LYS HB2 H 1.669 0.020 1 174 21 21 LYS HB3 H 1.669 0.020 1 175 21 21 LYS HG2 H 1.211 0.020 1 176 21 21 LYS HG3 H 1.211 0.020 1 177 21 21 LYS HD2 H 1.669 0.020 1 178 21 21 LYS HD3 H 1.669 0.020 1 179 21 21 LYS CA C 56.832 0.3 1 180 21 21 LYS CB C 32.520 0.3 1 181 21 21 LYS N N 120.917 0.3 1 182 23 23 LEU H H 7.857 0.020 1 183 23 23 LEU HA H 3.978 0.020 1 184 23 23 LEU HB2 H 1.413 0.020 1 185 23 23 LEU HB3 H 1.413 0.020 1 186 23 23 LEU C C 177.612 0.3 1 187 23 23 LEU CA C 56.490 0.3 1 188 23 23 LEU CB C 42.203 0.3 1 189 23 23 LEU N N 121.440 0.3 1 190 24 24 LEU H H 8.100 0.020 1 191 24 24 LEU HA H 4.143 0.020 1 192 24 24 LEU HB2 H 1.413 0.020 1 193 24 24 LEU HB3 H 1.413 0.020 1 194 24 24 LEU C C 177.795 0.3 1 195 24 24 LEU CA C 56.490 0.3 1 196 24 24 LEU CB C 41.599 0.3 1 197 24 24 LEU CG C 27.011 0.3 1 198 24 24 LEU N N 122.305 0.3 1 199 25 25 LYS H H 8.020 0.020 1 200 25 25 LYS HA H 4.107 0.020 1 201 25 25 LYS HB2 H 1.559 0.020 1 202 25 25 LYS HB3 H 1.559 0.020 1 203 25 25 LYS HG2 H 1.211 0.020 1 204 25 25 LYS HG3 H 1.211 0.020 1 205 25 25 LYS HD2 H 1.559 0.020 1 206 25 25 LYS HD3 H 1.559 0.020 1 207 25 25 LYS HE2 H 2.549 0.020 1 208 25 25 LYS HE3 H 2.549 0.020 1 209 25 25 LYS C C 176.820 0.3 1 210 25 25 LYS CA C 56.691 0.3 1 211 25 25 LYS CB C 32.645 0.3 1 212 25 25 LYS CG C 24.596 0.3 1 213 25 25 LYS CE C 40.794 0.3 1 214 25 25 LYS N N 121.129 0.3 1 215 26 26 GLU H H 8.229 0.020 1 216 26 26 GLU HA H 4.143 0.020 1 217 26 26 GLU HB2 H 1.614 0.020 1 218 26 26 GLU HB3 H 1.614 0.020 1 219 26 26 GLU HG2 H 2.036 0.020 1 220 26 26 GLU HG3 H 2.036 0.020 1 221 26 26 GLU C C 176.972 0.3 1 222 26 26 GLU CA C 56.490 0.3 1 223 26 26 GLU CB C 30.230 0.3 1 224 26 26 GLU CG C 32.746 0.3 1 225 26 26 GLU N N 120.748 0.3 1 226 27 27 SER H H 8.258 0.020 1 227 27 27 SER HA H 4.070 0.020 1 228 27 27 SER HB2 H 3.703 0.020 1 229 27 27 SER HB3 H 3.703 0.020 1 230 27 27 SER C C 175.566 0.3 1 231 27 27 SER CA C 58.665 0.3 1 232 27 27 SER CB C 63.895 0.3 1 233 27 27 SER N N 117.216 0.3 1 234 28 28 GLY H H 8.312 0.020 1 235 28 28 GLY HA2 H 3.777 0.020 1 236 28 28 GLY HA3 H 3.777 0.020 1 237 28 28 GLY C C 174.261 0.3 1 238 28 28 GLY CA C 45.333 0.3 1 239 28 28 GLY N N 110.967 0.3 1 240 29 29 LYS H H 7.992 0.020 1 241 29 29 LYS HA H 4.253 0.020 1 242 29 29 LYS HB2 H 1.853 0.020 1 243 29 29 LYS HB3 H 1.853 0.020 1 244 29 29 LYS HG2 H 1.285 0.020 1 245 29 29 LYS HG3 H 1.285 0.020 1 246 29 29 LYS HD2 H 1.541 0.020 1 247 29 29 LYS HD3 H 1.541 0.020 1 248 29 29 LYS HE2 H 2.604 0.020 2 249 29 29 LYS HE3 H 2.567 0.020 2 250 29 29 LYS C C 176.809 0.3 1 251 29 29 LYS CA C 56.288 0.3 1 252 29 29 LYS CB C 32.142 0.3 1 253 29 29 LYS CE C 41.700 0.3 1 254 29 29 LYS N N 120.806 0.3 1 255 30 30 LYS H H 8.149 0.020 1 256 30 30 LYS HA H 4.125 0.020 1 257 30 30 LYS HB2 H 1.633 0.020 1 258 30 30 LYS HB3 H 1.633 0.020 1 259 30 30 LYS HD2 H 1.413 0.020 1 260 30 30 LYS HD3 H 1.413 0.020 1 261 30 30 LYS C C 177.886 0.3 1 262 30 30 LYS CA C 56.188 0.3 1 263 30 30 LYS CB C 33.047 0.3 1 264 30 30 LYS CG C 24.898 0.3 1 265 30 30 LYS CE C 42.102 0.3 1 266 30 30 LYS N N 122.049 0.3 1 267 31 31 SER H H 8.035 0.020 1 268 31 31 SER HA H 4.162 0.020 1 269 31 31 SER HB2 H 3.648 0.020 1 270 31 31 SER HB3 H 3.648 0.020 1 271 31 31 SER C C 174.443 0.3 1 272 31 31 SER CA C 58.301 0.3 1 273 31 31 SER CB C 63.827 0.3 1 274 31 31 SER N N 115.922 0.3 1 275 32 32 GLU H H 8.369 0.020 1 276 32 32 GLU HA H 4.143 0.020 1 277 32 32 GLU HB2 H 1.614 0.020 1 278 32 32 GLU HB3 H 1.614 0.020 1 279 32 32 GLU HG2 H 2.054 0.020 1 280 32 32 GLU HG3 H 2.054 0.020 1 281 32 32 GLU C C 176.809 0.3 1 282 32 32 GLU CA C 56.590 0.3 1 283 32 32 GLU CB C 30.331 0.3 1 284 32 32 GLU CG C 32.846 0.3 1 285 32 32 GLU N N 122.827 0.3 1 286 33 33 SER H H 8.264 0.020 1 287 33 33 SER HA H 4.107 0.020 1 288 33 33 SER HB2 H 3.685 0.020 1 289 33 33 SER HB3 H 3.685 0.020 1 290 33 33 SER C C 174.718 0.3 1 291 33 33 SER CA C 58.717 0.3 1 292 33 33 SER CB C 63.834 0.3 1 293 33 33 SER N N 117.090 0.3 1 294 34 34 LYS H H 8.016 0.020 1 295 34 34 LYS HA H 4.125 0.020 1 296 34 34 LYS HB2 H 1.578 0.020 1 297 34 34 LYS HB3 H 1.578 0.020 1 298 34 34 LYS HG2 H 1.230 0.020 1 299 34 34 LYS HG3 H 1.230 0.020 1 300 34 34 LYS HD2 H 1.578 0.020 1 301 34 34 LYS HD3 H 1.578 0.020 1 302 34 34 LYS HE2 H 2.787 0.020 1 303 34 34 LYS HE3 H 2.787 0.020 1 304 34 34 LYS C C 176.637 0.3 1 305 34 34 LYS CA C 56.389 0.3 1 306 34 34 LYS CB C 32.828 0.3 1 307 34 34 LYS CG C 24.797 0.3 1 308 34 34 LYS CD C 29.023 0.3 1 309 34 34 LYS CE C 42.102 0.3 1 310 34 34 LYS N N 122.761 0.3 1 311 35 35 ILE H H 7.940 0.020 1 312 35 35 ILE HA H 3.942 0.020 1 313 35 35 ILE HB H 1.688 0.020 1 314 35 35 ILE HG12 H 1.248 0.020 2 315 35 35 ILE HG13 H 1.010 0.020 2 316 35 35 ILE HG2 H 0.662 0.020 1 317 35 35 ILE HD1 H 0.662 0.020 1 318 35 35 ILE C C 176.330 0.3 1 319 35 35 ILE CA C 62.224 0.3 1 320 35 35 ILE CB C 38.495 0.3 1 321 35 35 ILE CG1 C 27.111 0.3 1 322 35 35 ILE CG2 C 17.352 0.3 1 323 35 35 ILE CD1 C 13.227 0.3 1 324 35 35 ILE N N 121.944 0.3 1 325 36 36 ARG H H 8.292 0.020 1 326 36 36 ARG HA H 4.052 0.020 1 327 36 36 ARG HB2 H 1.688 0.020 1 328 36 36 ARG HB3 H 1.688 0.020 1 329 36 36 ARG HG2 H 1.211 0.020 1 330 36 36 ARG HG3 H 1.211 0.020 1 331 36 36 ARG HD2 H 2.897 0.020 1 332 36 36 ARG HD3 H 2.897 0.020 1 333 36 36 ARG C C 176.911 0.3 1 334 36 36 ARG CA C 56.763 0.3 1 335 36 36 ARG CB C 30.191 0.3 1 336 36 36 ARG CG C 24.898 0.3 1 337 36 36 ARG CD C 42.002 0.3 1 338 36 36 ARG N N 124.750 0.3 1 339 37 37 LYS H H 8.216 0.020 1 340 37 37 LYS HA H 4.088 0.020 1 341 37 37 LYS HB2 H 1.578 0.020 1 342 37 37 LYS HB3 H 1.578 0.020 1 343 37 37 LYS HG2 H 1.248 0.020 1 344 37 37 LYS HG3 H 1.248 0.020 1 345 37 37 LYS HD2 H 1.505 0.020 1 346 37 37 LYS HD3 H 1.505 0.020 1 347 37 37 LYS HE2 H 2.622 0.020 1 348 37 37 LYS HE3 H 2.622 0.020 1 349 37 37 LYS C C 176.536 0.3 1 350 37 37 LYS CA C 56.389 0.3 1 351 37 37 LYS CB C 32.947 0.3 1 352 37 37 LYS CG C 24.797 0.3 1 353 37 37 LYS CE C 41.700 0.3 1 354 37 37 LYS N N 121.694 0.3 1 355 38 38 HIS H H 8.046 0.020 1 356 38 38 HIS HA H 4.107 0.020 1 357 38 38 HIS HB2 H 2.897 0.020 1 358 38 38 HIS HB3 H 2.897 0.020 1 359 38 38 HIS C C 176.698 0.3 1 360 38 38 HIS CA C 56.568 0.3 1 361 38 38 HIS CB C 30.331 0.3 1 362 38 38 HIS N N 122.185 0.3 1 363 39 39 SER H H 8.199 0.020 1 364 39 39 SER HA H 4.070 0.020 1 365 39 39 SER HB2 H 3.667 0.020 1 366 39 39 SER HB3 H 3.667 0.020 1 367 39 39 SER C C 174.626 0.3 1 368 39 39 SER CA C 58.602 0.3 1 369 39 39 SER CB C 63.797 0.3 1 370 39 39 SER N N 116.949 0.3 1 371 40 40 ASP H H 8.254 0.020 1 372 40 40 ASP HA H 4.436 0.020 1 373 40 40 ASP HB2 H 2.494 0.020 1 374 40 40 ASP HB3 H 2.494 0.020 1 375 40 40 ASP C C 176.241 0.3 1 376 40 40 ASP CA C 54.516 0.3 1 377 40 40 ASP CB C 41.132 0.3 1 378 40 40 ASP N N 122.684 0.3 1 379 41 41 CYS H H 8.025 0.020 1 380 41 41 CYS HA H 4.162 0.020 1 381 41 41 CYS HB2 H 2.732 0.020 1 382 41 41 CYS HB3 H 2.732 0.020 1 383 41 41 CYS HG H 1.266 0.020 1 384 41 41 CYS C C 174.245 0.3 1 385 41 41 CYS CA C 58.522 0.3 1 386 41 41 CYS CB C 28.237 0.3 1 387 41 41 CYS N N 118.493 0.3 1 388 44 44 VAL H H 8.013 0.020 1 389 44 44 VAL HA H 4.143 0.020 1 390 44 44 VAL HB H 1.706 0.020 1 391 44 44 VAL C C 176.515 0.3 1 392 44 44 VAL CA C 63.532 0.3 1 393 44 44 VAL CB C 32.633 0.3 1 394 44 44 VAL N N 119.904 0.3 1 395 45 45 HIS H H 8.225 0.020 1 396 45 45 HIS HA H 4.088 0.020 1 397 45 45 HIS HB2 H 2.806 0.020 1 398 45 45 HIS HB3 H 2.806 0.020 1 399 45 45 HIS C C 176.516 0.3 1 400 45 45 HIS CA C 56.499 0.3 1 401 45 45 HIS CB C 30.219 0.3 1 402 45 45 HIS N N 121.961 0.3 1 403 46 46 ARG H H 8.269 0.020 1 404 46 46 ARG HA H 4.088 0.020 1 405 46 46 ARG HB2 H 1.706 0.020 1 406 46 46 ARG HB3 H 1.706 0.020 1 407 46 46 ARG HG2 H 1.395 0.020 1 408 46 46 ARG HG3 H 1.395 0.020 1 409 46 46 ARG HD2 H 2.457 0.020 1 410 46 46 ARG HD3 H 2.457 0.020 1 411 46 46 ARG C C 176.607 0.3 1 412 46 46 ARG CA C 56.389 0.3 1 413 46 46 ARG CB C 30.935 0.3 1 414 46 46 ARG N N 121.928 0.3 1 415 47 47 VAL H H 7.944 0.020 1 416 47 47 VAL HA H 3.997 0.020 1 417 47 47 VAL HB H 1.816 0.020 1 418 47 47 VAL HG1 H 0.643 0.020 1 419 47 47 VAL HG2 H 0.643 0.020 1 420 47 47 VAL CA C 62.367 0.3 1 421 47 47 VAL CB C 32.946 0.3 1 422 47 47 VAL CG1 C 21.276 0.3 1 423 47 47 VAL N N 120.751 0.3 1 424 48 48 TYR H H 8.188 0.020 1 425 48 48 TYR HA H 4.400 0.020 1 426 48 48 TYR HB2 H 2.769 0.020 2 427 48 48 TYR HB3 H 2.567 0.020 2 428 48 48 TYR CA C 58.190 0.3 1 429 48 48 TYR CB C 38.971 0.3 1 430 48 48 TYR N N 124.556 0.3 1 431 51 51 ASN H H 8.364 0.020 1 432 51 51 ASN HA H 4.418 0.020 1 433 51 51 ASN HB2 H 2.586 0.020 1 434 51 51 ASN HB3 H 2.586 0.020 1 435 51 51 ASN C C 175.418 0.3 1 436 51 51 ASN CA C 55.484 0.3 1 437 51 51 ASN CB C 38.690 0.3 1 438 51 51 ASN N N 118.318 0.3 1 439 52 52 ILE H H 7.920 0.020 1 440 52 52 ILE HA H 3.942 0.020 1 441 52 52 ILE HB H 1.633 0.020 1 442 52 52 ILE HG12 H 0.991 0.020 1 443 52 52 ILE HG13 H 0.991 0.020 1 444 52 52 ILE HG2 H 0.662 0.020 1 445 52 52 ILE HD1 H 0.662 0.020 1 446 52 52 ILE C C 176.438 0.3 1 447 52 52 ILE CA C 61.382 0.3 1 448 52 52 ILE CB C 38.380 0.3 1 449 52 52 ILE CG1 C 27.212 0.3 1 450 52 52 ILE CG2 C 17.252 0.3 1 451 52 52 ILE N N 120.993 0.3 1 452 53 53 GLU H H 8.302 0.020 1 453 53 53 GLU HA H 4.107 0.020 1 454 53 53 GLU HB2 H 1.559 0.020 1 455 53 53 GLU HB3 H 1.559 0.020 1 456 53 53 GLU C C 174.893 0.3 1 457 53 53 GLU CA C 56.492 0.3 1 458 53 53 GLU CB C 30.822 0.3 1 459 53 53 GLU CG C 33.148 0.3 1 460 53 53 GLU N N 126.078 0.3 1 461 54 54 LYS H H 8.304 0.020 1 462 54 54 LYS HA H 4.107 0.020 1 463 54 54 LYS HB2 H 1.505 0.020 1 464 54 54 LYS HB3 H 1.505 0.020 1 465 54 54 LYS HG2 H 1.266 0.020 1 466 54 54 LYS HG3 H 1.266 0.020 1 467 54 54 LYS HD2 H 1.505 0.020 1 468 54 54 LYS HD3 H 1.505 0.020 1 469 54 54 LYS HE2 H 2.696 0.020 1 470 54 54 LYS HE3 H 2.696 0.020 1 471 54 54 LYS C C 176.294 0.3 1 472 54 54 LYS CA C 56.628 0.3 1 473 54 54 LYS CB C 32.746 0.3 1 474 54 54 LYS CG C 24.797 0.3 1 475 54 54 LYS CD C 30.432 0.3 1 476 54 54 LYS CE C 42.102 0.3 1 477 54 54 LYS N N 123.388 0.3 1 478 55 55 ARG H H 8.186 0.020 1 479 55 55 ARG HA H 4.162 0.020 1 480 55 55 ARG HB2 H 1.614 0.020 1 481 55 55 ARG HB3 H 1.614 0.020 1 482 55 55 ARG HG2 H 1.450 0.020 1 483 55 55 ARG HG3 H 1.450 0.020 1 484 55 55 ARG C C 177.798 0.3 1 485 55 55 ARG CA C 56.892 0.3 1 486 55 55 ARG CB C 30.633 0.3 1 487 55 55 ARG CD C 42.002 0.3 1 488 55 55 ARG N N 122.370 0.3 1 489 56 56 LYS H H 8.019 0.020 1 490 56 56 LYS HA H 4.125 0.020 1 491 56 56 LYS HB2 H 1.596 0.020 1 492 56 56 LYS HB3 H 1.596 0.020 1 493 56 56 LYS HG2 H 1.230 0.020 1 494 56 56 LYS HG3 H 1.230 0.020 1 495 56 56 LYS HD2 H 1.596 0.020 1 496 56 56 LYS HD3 H 1.596 0.020 1 497 56 56 LYS C C 177.003 0.3 1 498 56 56 LYS CA C 56.568 0.3 1 499 56 56 LYS CB C 33.024 0.3 1 500 56 56 LYS CG C 24.898 0.3 1 501 56 56 LYS CD C 29.023 0.3 1 502 56 56 LYS CE C 42.203 0.3 1 503 56 56 LYS N N 120.796 0.3 1 504 57 57 THR H H 7.971 0.020 1 505 57 57 THR HA H 4.125 0.020 1 506 57 57 THR HB H 3.942 0.020 1 507 57 57 THR HG2 H 1.028 0.020 1 508 57 57 THR C C 175.784 0.3 1 509 57 57 THR CA C 61.941 0.3 1 510 57 57 THR CB C 70.050 0.3 1 511 57 57 THR CG2 C 21.377 0.3 1 512 57 57 THR N N 114.887 0.3 1 513 58 58 LYS H H 8.255 0.020 1 514 58 58 LYS HA H 4.143 0.020 1 515 58 58 LYS HB2 H 1.578 0.020 1 516 58 58 LYS HB3 H 1.578 0.020 1 517 58 58 LYS HG2 H 1.193 0.020 1 518 58 58 LYS HG3 H 1.193 0.020 1 519 58 58 LYS HD2 H 1.578 0.020 1 520 58 58 LYS HD3 H 1.578 0.020 1 521 58 58 LYS HE2 H 2.989 0.020 1 522 58 58 LYS HE3 H 2.989 0.020 1 523 58 58 LYS C C 176.644 0.3 1 524 58 58 LYS CA C 56.288 0.3 1 525 58 58 LYS CB C 33.219 0.3 1 526 58 58 LYS CG C 24.596 0.3 1 527 58 58 LYS CD C 30.834 0.3 1 528 58 58 LYS CE C 43.209 0.3 1 529 58 58 LYS N N 124.169 0.3 1 530 59 59 LYS H H 8.291 0.020 1 531 59 59 LYS HA H 4.070 0.020 1 532 59 59 LYS HB2 H 1.578 0.020 1 533 59 59 LYS HB3 H 1.578 0.020 1 534 59 59 LYS HG2 H 1.211 0.020 1 535 59 59 LYS HG3 H 1.211 0.020 1 536 59 59 LYS HD2 H 1.578 0.020 1 537 59 59 LYS HD3 H 1.578 0.020 1 538 59 59 LYS HE2 H 2.861 0.020 2 539 59 59 LYS HE3 H 2.879 0.020 2 540 59 59 LYS C C 176.515 0.3 1 541 59 59 LYS CA C 56.560 0.3 1 542 59 59 LYS CB C 32.947 0.3 1 543 59 59 LYS CG C 24.596 0.3 1 544 59 59 LYS CD C 30.029 0.3 1 545 59 59 LYS CE C 42.304 0.3 1 546 59 59 LYS N N 123.586 0.3 1 547 60 60 ASP H H 8.251 0.020 1 548 60 60 ASP HA H 4.436 0.020 1 549 60 60 ASP HB2 H 2.476 0.020 1 550 60 60 ASP HB3 H 2.476 0.020 1 551 60 60 ASP C C 176.082 0.3 1 552 60 60 ASP CA C 54.387 0.3 1 553 60 60 ASP CB C 41.096 0.3 1 554 60 60 ASP N N 121.777 0.3 1 555 61 61 ASP H H 8.111 0.020 1 556 61 61 ASP HA H 4.363 0.020 1 557 61 61 ASP HB2 H 2.494 0.020 1 558 61 61 ASP HB3 H 2.494 0.020 1 559 61 61 ASP C C 177.121 0.3 1 560 61 61 ASP CA C 55.282 0.3 1 561 61 61 ASP CB C 41.076 0.3 1 562 61 61 ASP N N 121.439 0.3 1 563 62 62 GLY H H 8.309 0.020 1 564 62 62 GLY HA2 H 3.722 0.020 1 565 62 62 GLY HA3 H 3.722 0.020 1 566 62 62 GLY C C 174.374 0.3 1 567 62 62 GLY CA C 45.423 0.3 1 568 62 62 GLY N N 108.966 0.3 1 569 63 63 ILE H H 7.795 0.020 1 570 63 63 ILE HA H 3.997 0.020 1 571 63 63 ILE HB H 1.669 0.020 1 572 63 63 ILE HG12 H 1.285 0.020 2 573 63 63 ILE HG13 H 0.936 0.020 2 574 63 63 ILE HG2 H 0.680 0.020 1 575 63 63 ILE HD1 H 0.680 0.020 1 576 63 63 ILE C C 176.578 0.3 1 577 63 63 ILE CA C 61.257 0.3 1 578 63 63 ILE CB C 38.788 0.3 1 579 63 63 ILE CG1 C 27.212 0.3 1 580 63 63 ILE CG2 C 17.352 0.3 1 581 63 63 ILE N N 120.227 0.3 1 582 64 64 SER H H 8.347 0.020 1 583 64 64 SER HA H 4.235 0.020 1 584 64 64 SER HB2 H 3.648 0.020 1 585 64 64 SER HB3 H 3.648 0.020 1 586 64 64 SER C C 174.183 0.3 1 587 64 64 SER CA C 58.424 0.3 1 588 64 64 SER CB C 63.700 0.3 1 589 64 64 SER N N 120.586 0.3 1 590 65 65 ARG H H 8.207 0.020 1 591 65 65 ARG HA H 4.345 0.020 1 592 65 65 ARG HG2 H 1.486 0.020 1 593 65 65 ARG HG3 H 1.486 0.020 1 594 65 65 ARG HD2 H 2.714 0.020 1 595 65 65 ARG HD3 H 2.714 0.020 1 596 65 65 ARG CA C 55.677 0.3 1 597 65 65 ARG CB C 30.211 0.3 1 598 65 65 ARG N N 124.550 0.3 1 599 67 67 ILE H H 8.141 0.020 1 600 67 67 ILE HA H 3.858 0.020 1 601 67 67 ILE HB H 1.640 0.020 1 602 67 67 ILE HG12 H 1.274 0.020 2 603 67 67 ILE HG13 H 0.999 0.020 2 604 67 67 ILE HG2 H 0.688 0.020 1 605 67 67 ILE HD1 H 0.688 0.020 1 606 67 67 ILE C C 176.459 0.3 1 607 67 67 ILE CA C 61.550 0.3 1 608 67 67 ILE CB C 38.690 0.3 1 609 67 67 ILE CG1 C 27.514 0.3 1 610 67 67 ILE CG2 C 17.453 0.3 1 611 67 67 ILE CD1 C 12.925 0.3 1 612 67 67 ILE N N 121.763 0.3 1 613 68 68 ALA H H 8.247 0.020 1 614 68 68 ALA HA H 4.096 0.020 1 615 68 68 ALA HB H 1.164 0.020 1 616 68 68 ALA C C 177.886 0.3 1 617 68 68 ALA CA C 52.660 0.3 1 618 68 68 ALA CB C 19.347 0.3 1 619 68 68 ALA N N 127.091 0.3 1 620 69 69 GLU H H 8.118 0.020 1 621 69 69 GLU HA H 4.077 0.020 1 622 69 69 GLU HB2 H 1.732 0.020 1 623 69 69 GLU HB3 H 1.732 0.020 1 624 69 69 GLU HG2 H 2.043 0.020 1 625 69 69 GLU HG3 H 2.043 0.020 1 626 69 69 GLU C C 176.825 0.3 1 627 69 69 GLU CA C 56.666 0.3 1 628 69 69 GLU CB C 30.331 0.3 1 629 69 69 GLU CG C 32.746 0.3 1 630 69 69 GLU N N 119.687 0.3 1 631 70 70 ARG H H 8.173 0.020 1 632 70 70 ARG HA H 4.041 0.020 1 633 70 70 ARG HB2 H 1.585 0.020 1 634 70 70 ARG HB3 H 1.585 0.020 1 635 70 70 ARG HG2 H 1.256 0.020 1 636 70 70 ARG HG3 H 1.256 0.020 1 637 70 70 ARG HD2 H 2.721 0.020 1 638 70 70 ARG HD3 H 2.721 0.020 1 639 70 70 ARG C C 175.266 0.3 1 640 70 70 ARG CA C 56.666 0.3 1 641 70 70 ARG CB C 30.706 0.3 1 642 70 70 ARG CD C 43.209 0.3 1 643 70 70 ARG N N 121.824 0.3 1 644 71 71 ASN H H 8.163 0.020 1 645 71 71 ASN HA H 4.426 0.020 1 646 71 71 ASN HB2 H 2.593 0.020 1 647 71 71 ASN HB3 H 2.593 0.020 1 648 71 71 ASN C C 175.747 0.3 1 649 71 71 ASN CA C 53.572 0.3 1 650 71 71 ASN CB C 38.480 0.3 1 651 71 71 ASN N N 121.101 0.3 1 652 72 72 GLY H H 8.241 0.020 1 653 72 72 GLY HA2 H 3.784 0.020 1 654 72 72 GLY HA3 H 3.784 0.020 1 655 72 72 GLY C C 176.667 0.3 1 656 72 72 GLY CA C 45.221 0.3 1 657 72 72 GLY N N 108.919 0.3 1 658 73 73 HIS H H 7.944 0.020 1 659 73 73 HIS HA H 4.096 0.020 1 660 73 73 HIS HB2 H 2.923 0.020 1 661 73 73 HIS HB3 H 2.923 0.020 1 662 73 73 HIS C C 175.346 0.3 1 663 73 73 HIS CA C 55.987 0.3 1 664 73 73 HIS CB C 31.035 0.3 1 665 73 73 HIS N N 120.560 0.3 1 666 74 74 VAL H H 7.973 0.020 1 667 74 74 VAL HA H 3.913 0.020 1 668 74 74 VAL HB H 1.457 0.020 1 669 74 74 VAL HG1 H 0.688 0.020 1 670 74 74 VAL HG2 H 0.688 0.020 1 671 74 74 VAL CA C 61.564 0.3 1 672 74 74 VAL CB C 32.946 0.3 1 673 74 74 VAL N N 121.729 0.3 1 674 75 75 TYR H H 7.889 0.020 1 675 75 75 TYR HA H 4.407 0.020 1 676 75 75 TYR HB2 H 2.703 0.020 1 677 75 75 TYR HB3 H 2.703 0.020 1 678 75 75 TYR C C 175.532 0.3 1 679 75 75 TYR CA C 57.898 0.3 1 680 75 75 TYR CB C 38.883 0.3 1 681 75 75 TYR N N 120.511 0.3 1 682 76 76 ILE H H 7.988 0.020 1 683 76 76 ILE HA H 3.931 0.020 1 684 76 76 ILE HB H 1.585 0.020 1 685 76 76 ILE HG12 H 0.926 0.020 1 686 76 76 ILE HG13 H 0.926 0.020 1 687 76 76 ILE HG2 H 0.669 0.020 1 688 76 76 ILE HD1 H 0.669 0.020 1 689 76 76 ILE C C 175.902 0.3 1 690 76 76 ILE CA C 60.907 0.3 1 691 76 76 ILE CB C 38.782 0.3 1 692 76 76 ILE CG1 C 27.111 0.3 1 693 76 76 ILE CG2 C 17.453 0.3 1 694 76 76 ILE N N 123.858 0.3 1 695 77 77 MET H H 8.242 0.020 1 696 77 77 MET HA H 4.261 0.020 1 697 77 77 MET HB2 H 1.860 0.020 1 698 77 77 MET HB3 H 1.860 0.020 1 699 77 77 MET HG2 H 2.373 0.020 1 700 77 77 MET HG3 H 2.373 0.020 1 701 77 77 MET HE H 1.860 0.020 1 702 77 77 MET C C 176.294 0.3 1 703 77 77 MET CA C 55.493 0.3 1 704 77 77 MET CB C 31.840 0.3 1 705 77 77 MET N N 124.734 0.3 1 706 78 78 SER H H 8.207 0.020 1 707 78 78 SER HA H 4.297 0.020 1 708 78 78 SER HB2 H 3.674 0.020 1 709 78 78 SER HB3 H 3.674 0.020 1 710 78 78 SER C C 174.779 0.3 1 711 78 78 SER CA C 58.522 0.3 1 712 78 78 SER CB C 63.834 0.3 1 713 78 78 SER N N 117.715 0.3 1 714 79 79 LYS H H 8.231 0.020 1 715 79 79 LYS HA H 4.077 0.020 1 716 79 79 LYS HB2 H 1.475 0.020 1 717 79 79 LYS HB3 H 1.475 0.020 1 718 79 79 LYS HD2 H 1.475 0.020 1 719 79 79 LYS HD3 H 1.475 0.020 1 720 79 79 LYS HE2 H 2.850 0.020 1 721 79 79 LYS HE3 H 2.850 0.020 1 722 79 79 LYS C C 176.698 0.3 1 723 79 79 LYS CA C 56.470 0.3 1 724 79 79 LYS CB C 32.645 0.3 1 725 79 79 LYS CG C 24.797 0.3 1 726 79 79 LYS CD C 30.331 0.3 1 727 79 79 LYS CE C 42.102 0.3 1 728 79 79 LYS N N 123.671 0.3 1 729 80 80 GLU H H 8.162 0.020 1 730 80 80 GLU HA H 4.023 0.020 1 731 80 80 GLU HB2 H 1.677 0.020 1 732 80 80 GLU HB3 H 1.677 0.020 1 733 80 80 GLU HG2 H 2.007 0.020 1 734 80 80 GLU HG3 H 2.007 0.020 1 735 80 80 GLU C C 176.185 0.3 1 736 80 80 GLU CA C 56.691 0.3 1 737 80 80 GLU CB C 29.828 0.3 1 738 80 80 GLU CG C 36.166 0.3 1 739 80 80 GLU N N 122.444 0.3 1 740 81 81 ASN H H 8.180 0.020 1 741 81 81 ASN HA H 4.261 0.020 1 742 81 81 ASN HB2 H 2.557 0.020 1 743 81 81 ASN HB3 H 2.557 0.020 1 744 81 81 ASN C C 174.761 0.3 1 745 81 81 ASN CA C 52.868 0.3 1 746 81 81 ASN CB C 38.782 0.3 1 747 81 81 ASN N N 118.949 0.3 1 748 82 82 HIS H H 8.040 0.020 1 749 82 82 HIS HA H 4.407 0.020 1 750 82 82 HIS HB2 H 2.831 0.020 1 751 82 82 HIS HB3 H 2.831 0.020 1 752 82 82 HIS C C 175.053 0.3 1 753 82 82 HIS CA C 56.188 0.3 1 754 82 82 HIS CB C 30.874 0.3 1 755 82 82 HIS N N 120.052 0.3 1 756 83 83 ILE H H 7.938 0.020 1 757 83 83 ILE HA H 3.894 0.020 1 758 83 83 ILE HB H 1.585 0.020 1 759 83 83 ILE HG12 H 1.127 0.020 1 760 83 83 ILE HG13 H 1.127 0.020 1 761 83 83 ILE HG2 H 0.596 0.020 1 762 83 83 ILE HD1 H 0.596 0.020 1 763 83 83 ILE C C 176.000 0.3 1 764 83 83 ILE CA C 61.062 0.3 1 765 83 83 ILE CB C 38.592 0.3 1 766 83 83 ILE CG1 C 27.212 0.3 1 767 83 83 ILE CG2 C 17.352 0.3 1 768 83 83 ILE CD1 C 12.624 0.3 1 769 83 83 ILE N N 123.002 0.3 1 770 84 84 ILE H H 8.184 0.020 1 771 84 84 ILE HA H 4.242 0.020 1 772 84 84 ILE HB H 1.750 0.020 1 773 84 84 ILE HG2 H 0.761 0.020 1 774 84 84 ILE C C 174.481 0.3 1 775 84 84 ILE CA C 60.771 0.3 1 776 84 84 ILE CB C 38.495 0.3 1 777 84 84 ILE N N 127.743 0.3 1 778 86 86 LYS H H 8.220 0.020 1 779 86 86 LYS HA H 4.033 0.020 1 780 86 86 LYS HB2 H 1.559 0.020 1 781 86 86 LYS HB3 H 1.559 0.020 1 782 86 86 LYS HG2 H 1.230 0.020 1 783 86 86 LYS HG3 H 1.230 0.020 1 784 86 86 LYS HD2 H 1.559 0.020 1 785 86 86 LYS HD3 H 1.559 0.020 1 786 86 86 LYS HE2 H 2.806 0.020 1 787 86 86 LYS HE3 H 2.806 0.020 1 788 86 86 LYS C C 176.970 0.3 1 789 86 86 LYS CA C 56.560 0.3 1 790 86 86 LYS CB C 32.544 0.3 1 791 86 86 LYS CG C 24.697 0.3 1 792 86 86 LYS CD C 29.023 0.3 1 793 86 86 LYS N N 121.842 0.3 1 794 87 87 LEU H H 7.964 0.020 1 795 87 87 LEU HA H 4.125 0.020 1 796 87 87 LEU HB2 H 1.541 0.020 2 797 87 87 LEU HB3 H 1.285 0.020 2 798 87 87 LEU HG H 1.285 0.020 1 799 87 87 LEU HD1 H 0.680 0.020 1 800 87 87 LEU HD2 H 0.680 0.020 1 801 87 87 LEU C C 176.850 0.3 1 802 87 87 LEU CA C 56.389 0.3 1 803 87 87 LEU CB C 42.109 0.3 1 804 87 87 LEU CD1 C 24.697 0.3 1 805 87 87 LEU N N 122.805 0.3 1 806 88 88 THR H H 8.031 0.020 1 807 88 88 THR HA H 4.143 0.020 1 808 88 88 THR HB H 3.905 0.020 1 809 88 88 THR HG2 H 1.010 0.020 1 810 88 88 THR C C 175.814 0.3 1 811 88 88 THR CA C 62.234 0.3 1 812 88 88 THR CB C 69.952 0.3 1 813 88 88 THR CG2 C 20.974 0.3 1 814 88 88 THR N N 116.080 0.3 1 815 89 89 ASP H H 8.278 0.020 1 816 89 89 ASP HA H 4.381 0.020 1 817 89 89 ASP HB2 H 2.494 0.020 1 818 89 89 ASP HB3 H 2.494 0.020 1 819 89 89 ASP C C 176.562 0.3 1 820 89 89 ASP CA C 54.075 0.3 1 821 89 89 ASP CB C 41.499 0.3 1 822 89 89 ASP N N 124.106 0.3 1 823 90 90 ASP H H 8.131 0.020 1 824 90 90 ASP HA H 4.363 0.020 1 825 90 90 ASP HB2 H 2.476 0.020 1 826 90 90 ASP HB3 H 2.476 0.020 1 827 90 90 ASP C C 176.637 0.3 1 828 90 90 ASP CA C 54.545 0.3 1 829 90 90 ASP CB C 41.063 0.3 1 830 90 90 ASP N N 120.982 0.3 1 831 91 91 GLU H H 8.312 0.020 1 832 91 91 GLU HA H 4.015 0.020 1 833 91 91 GLU HB2 H 1.816 0.020 1 834 91 91 GLU HB3 H 1.816 0.020 1 835 91 91 GLU HG2 H 2.036 0.020 1 836 91 91 GLU HG3 H 2.036 0.020 1 837 91 91 GLU C C 175.297 0.3 1 838 91 91 GLU CA C 56.188 0.3 1 839 91 91 GLU CB C 30.935 0.3 1 840 91 91 GLU N N 122.514 0.3 1 841 92 92 VAL H H 7.806 0.020 1 842 92 92 VAL HA H 4.052 0.020 1 843 92 92 VAL HB H 1.596 0.020 1 844 92 92 VAL HG1 H 0.607 0.020 1 845 92 92 VAL HG2 H 0.607 0.020 1 846 92 92 VAL C C 177.063 0.3 1 847 92 92 VAL CA C 63.331 0.3 1 848 92 92 VAL CB C 32.041 0.3 1 849 92 92 VAL CG2 C 18.660 0.3 1 850 92 92 VAL N N 121.725 0.3 1 851 93 93 MET H H 8.003 0.020 1 852 93 93 MET HA H 4.326 0.020 1 853 93 93 MET HB3 H 1.651 0.020 1 854 93 93 MET CA C 56.900 0.3 1 855 93 93 MET CB C 32.655 0.3 1 856 93 93 MET N N 119.699 0.3 1 857 95 95 ARG H H 8.345 0.020 1 858 95 95 ARG HA H 4.114 0.020 1 859 95 95 ARG HB2 H 1.805 0.020 1 860 95 95 ARG HB3 H 1.805 0.020 1 861 95 95 ARG HG2 H 1.494 0.020 1 862 95 95 ARG HG3 H 1.494 0.020 1 863 95 95 ARG C C 175.326 0.3 1 864 95 95 ARG CA C 55.886 0.3 1 865 95 95 ARG CB C 30.935 0.3 1 866 95 95 ARG CD C 43.410 0.3 1 867 95 95 ARG N N 122.592 0.3 1 868 96 96 HIS H H 7.910 0.020 1 869 96 96 HIS HA H 4.096 0.020 1 870 96 96 HIS C C 174.900 0.3 1 871 96 96 HIS CA C 56.288 0.3 1 872 96 96 HIS CB C 30.822 0.3 1 873 96 96 HIS N N 125.871 0.3 1 874 97 97 LYS H H 8.310 0.020 1 875 97 97 LYS HA H 4.041 0.020 1 876 97 97 LYS HB2 H 1.585 0.020 1 877 97 97 LYS HB3 H 1.585 0.020 1 878 97 97 LYS HG2 H 1.219 0.020 1 879 97 97 LYS HG3 H 1.219 0.020 1 880 97 97 LYS HD2 H 1.585 0.020 1 881 97 97 LYS HD3 H 1.585 0.020 1 882 97 97 LYS HE2 H 2.740 0.020 1 883 97 97 LYS HE3 H 2.740 0.020 1 884 97 97 LYS C C 176.972 0.3 1 885 97 97 LYS CA C 56.628 0.3 1 886 97 97 LYS CB C 32.444 0.3 1 887 97 97 LYS CG C 24.697 0.3 1 888 97 97 LYS CD C 28.922 0.3 1 889 97 97 LYS CE C 42.102 0.3 1 890 97 97 LYS N N 123.363 0.3 1 891 98 98 LEU H H 7.983 0.020 1 892 98 98 LEU C C 176.119 0.3 1 893 98 98 LEU CA C 55.338 0.3 1 894 98 98 LEU CB C 40.996 0.3 1 895 98 98 LEU N N 122.477 0.3 1 896 99 99 ALA H H 8.128 0.020 1 897 99 99 ALA HA H 4.077 0.020 1 898 99 99 ALA HB H 1.182 0.020 1 899 99 99 ALA C C 177.283 0.3 1 900 99 99 ALA CA C 52.825 0.3 1 901 99 99 ALA CB C 19.063 0.3 1 902 99 99 ALA N N 124.675 0.3 1 903 100 100 ASP H H 8.255 0.020 1 904 100 100 ASP HA H 4.279 0.020 1 905 100 100 ASP HB2 H 2.447 0.020 1 906 100 100 ASP HB3 H 2.447 0.020 1 907 100 100 ASP CA C 53.531 0.3 1 908 100 100 ASP CB C 38.670 0.3 1 909 100 100 ASP N N 118.003 0.3 1 910 101 101 GLU H H 8.319 0.020 1 911 101 101 GLU HA H 4.004 0.020 1 912 101 101 GLU HB2 H 1.824 0.020 1 913 101 101 GLU HB3 H 1.824 0.020 1 914 101 101 GLU HG2 H 2.098 0.020 1 915 101 101 GLU HG3 H 2.098 0.020 1 916 101 101 GLU CA C 57.104 0.3 1 917 101 101 GLU CB C 30.075 0.3 1 918 101 101 GLU N N 122.265 0.3 1 919 103 103 MET H H 8.130 0.020 1 920 103 103 MET HA H 4.077 0.020 1 921 103 103 MET HB3 H 1.585 0.020 1 922 103 103 MET HG2 H 2.373 0.020 1 923 103 103 MET HG3 H 2.373 0.020 1 924 103 103 MET HE H 1.585 0.020 1 925 103 103 MET C C 176.521 0.3 1 926 103 103 MET CA C 56.389 0.3 1 927 103 103 MET CB C 32.947 0.3 1 928 103 103 MET N N 123.650 0.3 1 929 104 104 ARG H H 8.056 0.020 1 930 104 104 ARG HA H 4.143 0.020 1 931 104 104 ARG HB2 H 1.559 0.020 1 932 104 104 ARG HB3 H 1.559 0.020 1 933 104 104 ARG HG2 H 1.248 0.020 1 934 104 104 ARG HG3 H 1.248 0.020 1 935 104 104 ARG HD2 H 2.970 0.020 1 936 104 104 ARG HD3 H 2.970 0.020 1 937 104 104 ARG C C 176.150 0.3 1 938 104 104 ARG CA C 56.356 0.3 1 939 104 104 ARG CB C 30.754 0.3 1 940 104 104 ARG CG C 27.111 0.3 1 941 104 104 ARG CD C 43.209 0.3 1 942 104 104 ARG N N 122.232 0.3 1 943 105 105 LYS H H 8.263 0.020 1 944 105 105 LYS HA H 4.070 0.020 1 945 105 105 LYS HB2 H 1.578 0.020 1 946 105 105 LYS HB3 H 1.578 0.020 1 947 105 105 LYS HG2 H 1.230 0.020 1 948 105 105 LYS HG3 H 1.230 0.020 1 949 105 105 LYS HD2 H 1.578 0.020 1 950 105 105 LYS HD3 H 1.578 0.020 1 951 105 105 LYS HE2 H 2.842 0.020 1 952 105 105 LYS HE3 H 2.842 0.020 1 953 105 105 LYS C C 175.266 0.3 1 954 105 105 LYS CA C 56.590 0.3 1 955 105 105 LYS CB C 32.645 0.3 1 956 105 105 LYS CG C 24.797 0.3 1 957 105 105 LYS CD C 30.834 0.3 1 958 105 105 LYS CE C 41.298 0.3 1 959 105 105 LYS N N 123.267 0.3 1 960 106 106 VAL H H 7.971 0.020 1 961 106 106 VAL HA H 3.905 0.020 1 962 106 106 VAL HB H 1.908 0.020 1 963 106 106 VAL HG1 H 0.735 0.020 1 964 106 106 VAL HG2 H 0.735 0.020 1 965 106 106 VAL C C 176.109 0.3 1 966 106 106 VAL CA C 62.325 0.3 1 967 106 106 VAL CB C 32.142 0.3 1 968 106 106 VAL CG1 C 20.974 0.3 1 969 106 106 VAL N N 121.925 0.3 1 970 107 107 TRP H H 8.102 0.020 1 971 107 107 TRP HA H 4.363 0.020 1 972 107 107 TRP HB2 H 2.897 0.020 1 973 107 107 TRP HB3 H 2.897 0.020 1 974 107 107 TRP C C 175.820 0.3 1 975 107 107 TRP CA C 56.691 0.3 1 976 107 107 TRP CB C 30.935 0.3 1 977 107 107 TRP N N 125.243 0.3 1 978 108 108 SER H H 8.065 0.020 1 979 108 108 SER HA H 3.868 0.020 1 980 108 108 SER HB2 H 3.630 0.020 1 981 108 108 SER HB3 H 3.630 0.020 1 982 108 108 SER C C 176.302 0.3 1 983 108 108 SER CA C 58.301 0.3 1 984 108 108 SER CB C 63.633 0.3 1 985 108 108 SER N N 116.719 0.3 1 986 109 109 ASN H H 8.191 0.020 1 987 109 109 ASN HA H 4.088 0.020 1 988 109 109 ASN HB2 H 2.421 0.020 1 989 109 109 ASN HB3 H 2.421 0.020 1 990 109 109 ASN C C 176.210 0.3 1 991 109 109 ASN CA C 54.591 0.3 1 992 109 109 ASN CB C 41.212 0.3 1 993 109 109 ASN N N 124.217 0.3 1 994 110 110 ILE H H 8.006 0.020 1 995 110 110 ILE HA H 3.923 0.020 1 996 110 110 ILE HB H 1.651 0.020 1 997 110 110 ILE HG2 H 0.662 0.020 1 998 110 110 ILE HD1 H 0.662 0.020 1 999 110 110 ILE C C 176.302 0.3 1 1000 110 110 ILE CA C 61.453 0.3 1 1001 110 110 ILE CB C 38.788 0.3 1 1002 110 110 ILE CG1 C 27.212 0.3 1 1003 110 110 ILE CG2 C 17.554 0.3 1 1004 110 110 ILE N N 121.687 0.3 1 1005 111 111 ILE H H 8.038 0.020 1 1006 111 111 ILE HA H 4.015 0.020 1 1007 111 111 ILE HB H 1.724 0.020 1 1008 111 111 ILE HG2 H 0.680 0.020 1 1009 111 111 ILE HD1 H 0.680 0.020 1 1010 111 111 ILE C C 176.546 0.3 1 1011 111 111 ILE CA C 61.257 0.3 1 1012 111 111 ILE CB C 38.581 0.3 1 1013 111 111 ILE CG1 C 27.111 0.3 1 1014 111 111 ILE CG2 C 17.352 0.3 1 1015 111 111 ILE N N 124.836 0.3 1 1016 112 112 SER H H 8.335 0.020 1 1017 112 112 SER HA H 4.162 0.020 1 1018 112 112 SER HB2 H 3.685 0.020 1 1019 112 112 SER HB3 H 3.685 0.020 1 1020 112 112 SER C C 174.840 0.3 1 1021 112 112 SER CA C 58.301 0.3 1 1022 112 112 SER CB C 63.532 0.3 1 1023 112 112 SER N N 120.036 0.3 1 1024 113 113 LYS H H 8.351 0.020 1 1025 113 113 LYS HA H 4.107 0.020 1 1026 113 113 LYS HB2 H 1.541 0.020 1 1027 113 113 LYS HB3 H 1.541 0.020 1 1028 113 113 LYS HG2 H 1.211 0.020 1 1029 113 113 LYS HG3 H 1.211 0.020 1 1030 113 113 LYS HD2 H 1.541 0.020 1 1031 113 113 LYS HD3 H 1.541 0.020 1 1032 113 113 LYS HE2 H 2.641 0.020 1 1033 113 113 LYS HE3 H 2.641 0.020 1 1034 113 113 LYS C C 176.850 0.3 1 1035 113 113 LYS CA C 56.490 0.3 1 1036 113 113 LYS CB C 32.746 0.3 1 1037 113 113 LYS CG C 24.898 0.3 1 1038 113 113 LYS CD C 30.633 0.3 1 1039 113 113 LYS CE C 42.102 0.3 1 1040 113 113 LYS N N 123.223 0.3 1 1041 114 114 TYR H H 8.046 0.020 1 1042 114 114 TYR C C 176.332 0.3 1 1043 114 114 TYR CA C 61.481 0.3 1 1044 114 114 TYR CB C 38.718 0.3 1 1045 114 114 TYR N N 122.496 0.3 1 1046 115 115 GLU H H 8.289 0.020 1 1047 115 115 GLU C C 177.825 0.3 1 1048 115 115 GLU CA C 56.792 0.3 1 1049 115 115 GLU CB C 30.733 0.3 1 1050 115 115 GLU CG C 38.682 0.3 1 1051 115 115 GLU N N 125.030 0.3 1 1052 116 116 SER H H 8.173 0.020 1 1053 116 116 SER HA H 4.216 0.020 1 1054 116 116 SER HB2 H 3.612 0.020 1 1055 116 116 SER HB3 H 3.612 0.020 1 1056 116 116 SER C C 169.144 0.3 1 1057 116 116 SER CA C 58.453 0.3 1 1058 116 116 SER CB C 63.826 0.3 1 1059 116 116 SER N N 116.400 0.3 1 1060 118 118 GLU H H 8.264 0.020 1 1061 118 118 GLU C C 175.053 0.3 1 1062 118 118 GLU CA C 56.288 0.3 1 1063 118 118 GLU CB C 30.834 0.3 1 1064 118 118 GLU CG C 39.084 0.3 1 1065 118 118 GLU N N 126.196 0.3 1 1066 119 119 GLU H H 7.989 0.020 1 1067 119 119 GLU HA H 4.070 0.020 1 1068 119 119 GLU HB2 H 1.578 0.020 1 1069 119 119 GLU HB3 H 1.578 0.020 1 1070 119 119 GLU HG2 H 2.109 0.020 1 1071 119 119 GLU HG3 H 2.109 0.020 1 1072 119 119 GLU C C 175.284 0.3 1 1073 119 119 GLU CA C 55.815 0.3 1 1074 119 119 GLU CB C 31.294 0.3 1 1075 119 119 GLU N N 123.228 0.3 1 1076 121 121 GLY H H 8.255 0.020 1 1077 121 121 GLY HA2 H 3.777 0.020 1 1078 121 121 GLY HA3 H 3.777 0.020 1 1079 121 121 GLY C C 173.895 0.3 1 1080 121 121 GLY CA C 45.221 0.3 1 1081 121 121 GLY N N 109.692 0.3 1 1082 122 122 ASP H H 8.135 0.020 1 1083 122 122 ASP HA H 3.923 0.020 1 1084 122 122 ASP HB2 H 2.421 0.020 1 1085 122 122 ASP HB3 H 2.421 0.020 1 1086 122 122 ASP C C 175.099 0.3 1 1087 122 122 ASP CA C 54.591 0.3 1 1088 122 122 ASP CB C 41.280 0.3 1 1089 122 122 ASP N N 120.149 0.3 1 1090 123 123 LEU H H 7.908 0.020 1 1091 123 123 LEU HA H 4.180 0.020 1 1092 123 123 LEU HB2 H 1.431 0.020 1 1093 123 123 LEU HB3 H 1.431 0.020 1 1094 123 123 LEU HG H 1.431 0.020 1 1095 123 123 LEU HD1 H 0.680 0.020 1 1096 123 123 LEU HD2 H 0.680 0.020 1 1097 123 123 LEU C C 177.407 0.3 1 1098 123 123 LEU CA C 55.134 0.3 1 1099 123 123 LEU CB C 40.794 0.3 1 1100 123 123 LEU CD1 C 24.697 0.3 1 1101 123 123 LEU N N 124.272 0.3 1 1102 124 124 VAL H H 7.865 0.020 1 1103 124 124 VAL HA H 3.887 0.020 1 1104 124 124 VAL HB H 1.871 0.020 1 1105 124 124 VAL HG1 H 0.698 0.020 1 1106 124 124 VAL HG2 H 0.698 0.020 1 1107 124 124 VAL C C 176.541 0.3 1 1108 124 124 VAL CA C 63.130 0.3 1 1109 124 124 VAL CB C 31.740 0.3 1 1110 124 124 VAL N N 120.501 0.3 1 1111 125 125 ASP H H 8.304 0.020 1 1112 125 125 ASP HA H 4.107 0.020 1 1113 125 125 ASP HB2 H 2.421 0.020 1 1114 125 125 ASP HB3 H 2.421 0.020 1 1115 125 125 ASP C C 176.418 0.3 1 1116 125 125 ASP CA C 54.455 0.3 1 1117 125 125 ASP CB C 41.144 0.3 1 1118 125 125 ASP N N 118.805 0.3 1 1119 126 126 LEU H H 8.073 0.020 1 1120 126 126 LEU HA H 4.052 0.020 1 1121 126 126 LEU HB2 H 1.413 0.020 1 1122 126 126 LEU HB3 H 1.413 0.020 1 1123 126 126 LEU HG H 1.413 0.020 1 1124 126 126 LEU HD1 H 0.643 0.020 1 1125 126 126 LEU HD2 H 0.643 0.020 1 1126 126 126 LEU C C 177.856 0.3 1 1127 126 126 LEU CA C 55.685 0.3 1 1128 126 126 LEU CB C 42.207 0.3 1 1129 126 126 LEU N N 122.037 0.3 1 1130 127 127 LYS H H 8.307 0.020 1 1131 127 127 LYS HA H 4.143 0.020 1 1132 127 127 LYS HB2 H 1.633 0.020 1 1133 127 127 LYS HB3 H 1.633 0.020 1 1134 127 127 LYS HG2 H 1.266 0.020 1 1135 127 127 LYS HG3 H 1.266 0.020 1 1136 127 127 LYS C C 177.362 0.3 1 1137 127 127 LYS CA C 56.568 0.3 1 1138 127 127 LYS CB C 32.340 0.3 1 1139 127 127 LYS CG C 24.697 0.3 1 1140 127 127 LYS N N 121.224 0.3 1 1141 128 128 THR H H 7.938 0.020 1 1142 128 128 THR HA H 4.052 0.020 1 1143 128 128 THR HB H 3.703 0.020 1 1144 128 128 THR HG2 H 1.010 0.020 1 1145 128 128 THR C C 175.571 0.3 1 1146 128 128 THR CA C 62.332 0.3 1 1147 128 128 THR CB C 70.050 0.3 1 1148 128 128 THR CG2 C 21.477 0.3 1 1149 128 128 THR N N 113.571 0.3 1 1150 129 129 GLY H H 8.284 0.020 1 1151 129 129 GLY HA2 H 3.758 0.020 1 1152 129 129 GLY HA3 H 3.758 0.020 1 1153 129 129 GLY C C 173.956 0.3 1 1154 129 129 GLY CA C 45.322 0.3 1 1155 129 129 GLY N N 111.080 0.3 1 1156 130 130 GLU H H 7.948 0.020 1 1157 130 130 GLU HA H 4.107 0.020 1 1158 130 130 GLU HB2 H 1.724 0.020 1 1159 130 130 GLU HB3 H 1.724 0.020 1 1160 130 130 GLU HG2 H 2.018 0.020 1 1161 130 130 GLU HG3 H 2.018 0.020 1 1162 130 130 GLU C C 176.268 0.3 1 1163 130 130 GLU CA C 56.288 0.3 1 1164 130 130 GLU CB C 30.331 0.3 1 1165 130 130 GLU CG C 36.066 0.3 1 1166 130 130 GLU N N 120.293 0.3 1 1167 131 131 ILE H H 8.198 0.020 1 1168 131 131 ILE HA H 3.997 0.020 1 1169 131 131 ILE HB H 1.633 0.020 1 1170 131 131 ILE HG12 H 1.285 0.020 1 1171 131 131 ILE HG13 H 1.285 0.020 1 1172 131 131 ILE HG2 H 0.680 0.020 1 1173 131 131 ILE HD1 H 0.680 0.020 1 1174 131 131 ILE C C 176.309 0.3 1 1175 131 131 ILE CA C 61.160 0.3 1 1176 131 131 ILE CB C 38.397 0.3 1 1177 131 131 ILE CG1 C 27.313 0.3 1 1178 131 131 ILE CG2 C 17.453 0.3 1 1179 131 131 ILE CD1 C 13.026 0.3 1 1180 131 131 ILE N N 122.843 0.3 1 1181 132 132 VAL H H 8.225 0.020 1 1182 132 132 VAL HA H 3.905 0.020 1 1183 132 132 VAL HB H 1.853 0.020 1 1184 132 132 VAL HG1 H 0.680 0.020 1 1185 132 132 VAL HG2 H 0.680 0.020 1 1186 132 132 VAL C C 176.047 0.3 1 1187 132 132 VAL CA C 61.941 0.3 1 1188 132 132 VAL CB C 32.731 0.3 1 1189 132 132 VAL CG1 C 20.974 0.3 1 1190 132 132 VAL N N 126.191 0.3 1 1191 133 133 GLU H H 8.411 0.020 1 1192 133 133 GLU HA H 4.088 0.020 1 1193 133 133 GLU HB2 H 1.724 0.020 1 1194 133 133 GLU HB3 H 1.724 0.020 1 1195 133 133 GLU HG2 H 2.018 0.020 1 1196 133 133 GLU HG3 H 2.018 0.020 1 1197 133 133 GLU C C 176.119 0.3 1 1198 133 133 GLU CA C 56.177 0.3 1 1199 133 133 GLU CB C 30.484 0.3 1 1200 133 133 GLU CG C 36.267 0.3 1 1201 133 133 GLU N N 125.673 0.3 1 1202 134 134 ASP H H 8.361 0.020 1 1203 134 134 ASP HA H 4.363 0.020 1 1204 134 134 ASP HB2 H 2.567 0.020 1 1205 134 134 ASP HB3 H 2.567 0.020 1 1206 134 134 ASP C C 176.363 0.3 1 1207 134 134 ASP CA C 54.223 0.3 1 1208 134 134 ASP CB C 41.230 0.3 1 1209 134 134 ASP N N 122.322 0.3 1 1210 135 135 ASN H H 8.151 0.020 1 1211 135 135 ASN HA H 4.491 0.020 1 1212 135 135 ASN HB2 H 2.604 0.020 1 1213 135 135 ASN HB3 H 2.604 0.020 1 1214 135 135 ASN C C 176.271 0.3 1 1215 135 135 ASN CA C 53.233 0.3 1 1216 135 135 ASN CB C 38.700 0.3 1 1217 135 135 ASN N N 124.038 0.3 1 1218 136 136 GLY H H 8.369 0.020 1 1219 136 136 GLY HA2 H 3.667 0.020 1 1220 136 136 GLY HA3 H 3.667 0.020 1 1221 136 136 GLY C C 174.322 0.3 1 1222 136 136 GLY CA C 45.624 0.3 1 1223 136 136 GLY N N 108.633 0.3 1 1224 137 137 HIS H H 7.978 0.020 1 1225 137 137 HIS HA H 4.400 0.020 1 1226 137 137 HIS HB2 H 2.879 0.020 1 1227 137 137 HIS HB3 H 2.879 0.020 1 1228 137 137 HIS C C 175.607 0.3 1 1229 137 137 HIS CA C 56.568 0.3 1 1230 137 137 HIS CB C 30.777 0.3 1 1231 137 137 HIS N N 119.282 0.3 1 1232 138 138 ILE H H 7.892 0.020 1 1233 138 138 ILE HA H 3.850 0.020 1 1234 138 138 ILE HB H 1.651 0.020 1 1235 138 138 ILE HG12 H 1.211 0.020 1 1236 138 138 ILE HG13 H 1.211 0.020 1 1237 138 138 ILE HG2 H 0.662 0.020 1 1238 138 138 ILE HD1 H 0.662 0.020 1 1239 138 138 ILE C C 176.454 0.3 1 1240 138 138 ILE CA C 61.621 0.3 1 1241 138 138 ILE CB C 38.279 0.3 1 1242 138 138 ILE CG1 C 27.215 0.3 1 1243 138 138 ILE CG2 C 17.255 0.3 1 1244 138 138 ILE N N 122.651 0.3 1 1245 139 139 LYS H H 8.328 0.020 1 1246 139 139 LYS HA H 4.162 0.020 1 1247 139 139 LYS HB2 H 1.578 0.020 1 1248 139 139 LYS HB3 H 1.578 0.020 1 1249 139 139 LYS HG2 H 0.643 0.020 1 1250 139 139 LYS HG3 H 0.643 0.020 1 1251 139 139 LYS HD2 H 1.285 0.020 1 1252 139 139 LYS HD3 H 1.285 0.020 1 1253 139 139 LYS HE2 H 2.806 0.020 1 1254 139 139 LYS HE3 H 2.806 0.020 1 1255 139 139 LYS C C 176.850 0.3 1 1256 139 139 LYS CA C 56.490 0.3 1 1257 139 139 LYS CB C 33.047 0.3 1 1258 139 139 LYS CG C 24.797 0.3 1 1259 139 139 LYS CD C 29.023 0.3 1 1260 139 139 LYS CE C 42.102 0.3 1 1261 139 139 LYS N N 125.776 0.3 1 1262 140 140 THR H H 8.026 0.020 1 1263 140 140 THR HA H 4.143 0.020 1 1264 140 140 THR HB H 3.997 0.020 1 1265 140 140 THR HG2 H 0.973 0.020 1 1266 140 140 THR C C 174.666 0.3 1 1267 140 140 THR CA C 62.137 0.3 1 1268 140 140 THR CB C 69.854 0.3 1 1269 140 140 THR CG2 C 21.578 0.3 1 1270 140 140 THR N N 116.256 0.3 1 1271 141 141 LEU H H 8.207 0.020 1 1272 141 141 LEU HA H 4.216 0.020 1 1273 141 141 LEU HB2 H 1.450 0.020 1 1274 141 141 LEU HB3 H 1.450 0.020 1 1275 141 141 LEU HG H 1.450 0.020 1 1276 141 141 LEU HD1 H 0.680 0.020 1 1277 141 141 LEU HD2 H 0.680 0.020 1 1278 141 141 LEU C C 177.695 0.3 1 1279 141 141 LEU CA C 55.396 0.3 1 1280 141 141 LEU CB C 42.207 0.3 1 1281 141 141 LEU CG C 26.910 0.3 1 1282 141 141 LEU CD1 C 24.898 0.3 1 1283 141 141 LEU CD2 C 23.490 0.3 1 1284 141 141 LEU N N 124.904 0.3 1 1285 142 142 THR H H 8.009 0.020 1 1286 142 142 THR HA H 4.107 0.020 1 1287 142 142 THR HB H 4.052 0.020 1 1288 142 142 THR HG2 H 1.010 0.020 1 1289 142 142 THR C C 174.522 0.3 1 1290 142 142 THR CA C 61.941 0.3 1 1291 142 142 THR CB C 70.050 0.3 1 1292 142 142 THR CG2 C 21.477 0.3 1 1293 142 142 THR N N 115.024 0.3 1 1294 143 143 ALA H H 8.183 0.020 1 1295 143 143 ALA HA H 4.088 0.020 1 1296 143 143 ALA HB H 1.193 0.020 1 1297 143 143 ALA C C 177.693 0.3 1 1298 143 143 ALA CA C 52.856 0.3 1 1299 143 143 ALA CB C 19.249 0.3 1 1300 143 143 ALA N N 126.218 0.3 1 1301 144 144 ASN H H 8.272 0.020 1 1302 144 144 ASN HA H 4.070 0.020 1 1303 144 144 ASN HB2 H 2.586 0.020 1 1304 144 144 ASN HB3 H 2.586 0.020 1 1305 144 144 ASN C C 175.318 0.3 1 1306 144 144 ASN CA C 53.246 0.3 1 1307 144 144 ASN CB C 38.480 0.3 1 1308 144 144 ASN N N 117.902 0.3 1 1309 145 145 ASN H H 8.242 0.020 1 1310 145 145 ASN HA H 4.180 0.020 1 1311 145 145 ASN HB2 H 2.494 0.020 1 1312 145 145 ASN HB3 H 2.494 0.020 1 1313 145 145 ASN C C 176.637 0.3 1 1314 145 145 ASN CA C 53.097 0.3 1 1315 145 145 ASN CB C 40.996 0.3 1 1316 145 145 ASN N N 119.255 0.3 1 1317 146 146 SER H H 8.120 0.020 1 1318 146 146 SER HA H 4.143 0.020 1 1319 146 146 SER HB2 H 3.740 0.020 1 1320 146 146 SER HB3 H 3.740 0.020 1 1321 146 146 SER C C 176.515 0.3 1 1322 146 146 SER CA C 58.904 0.3 1 1323 146 146 SER CB C 63.963 0.3 1 1324 146 146 SER N N 116.060 0.3 1 1325 147 147 THR H H 8.064 0.020 1 1326 147 147 THR HA H 4.088 0.020 1 1327 147 147 THR HB H 3.703 0.020 1 1328 147 147 THR HG2 H 1.028 0.020 1 1329 147 147 THR C C 174.870 0.3 1 1330 147 147 THR CA C 61.993 0.3 1 1331 147 147 THR CB C 69.821 0.3 1 1332 147 147 THR CG2 C 21.679 0.3 1 1333 147 147 THR N N 115.727 0.3 1 1334 148 148 LYS H H 8.323 0.020 1 1335 148 148 LYS HA H 4.052 0.020 1 1336 148 148 LYS HB2 H 1.559 0.020 1 1337 148 148 LYS HB3 H 1.559 0.020 1 1338 148 148 LYS HG2 H 1.230 0.020 1 1339 148 148 LYS HG3 H 1.230 0.020 1 1340 148 148 LYS HD2 H 1.559 0.020 1 1341 148 148 LYS HD3 H 1.559 0.020 1 1342 148 148 LYS HE2 H 2.586 0.020 1 1343 148 148 LYS HE3 H 2.586 0.020 1 1344 148 148 LYS C C 176.607 0.3 1 1345 148 148 LYS CA C 56.666 0.3 1 1346 148 148 LYS CB C 32.645 0.3 1 1347 148 148 LYS CG C 24.496 0.3 1 1348 148 148 LYS CD C 30.935 0.3 1 1349 148 148 LYS CE C 41.298 0.3 1 1350 148 148 LYS N N 123.153 0.3 1 1351 149 149 ASP H H 8.140 0.020 1 1352 149 149 ASP HA H 4.198 0.020 1 1353 149 149 ASP HB2 H 2.457 0.020 1 1354 149 149 ASP HB3 H 2.457 0.020 1 1355 149 149 ASP C C 176.500 0.3 1 1356 149 149 ASP CA C 54.455 0.3 1 1357 149 149 ASP CB C 41.212 0.3 1 1358 149 149 ASP N N 121.070 0.3 1 1359 150 150 LYS H H 8.121 0.020 1 1360 150 150 LYS HA H 4.088 0.020 1 1361 150 150 LYS HB2 H 1.559 0.020 1 1362 150 150 LYS HB3 H 1.559 0.020 1 1363 150 150 LYS HG2 H 1.211 0.020 1 1364 150 150 LYS HG3 H 1.211 0.020 1 1365 150 150 LYS HD2 H 1.559 0.020 1 1366 150 150 LYS HD3 H 1.559 0.020 1 1367 150 150 LYS HE2 H 2.476 0.020 1 1368 150 150 LYS HE3 H 2.476 0.020 1 1369 150 150 LYS C C 176.850 0.3 1 1370 150 150 LYS CA C 56.696 0.3 1 1371 150 150 LYS CB C 32.859 0.3 1 1372 150 150 LYS CG C 24.697 0.3 1 1373 150 150 LYS CE C 40.996 0.3 1 1374 150 150 LYS N N 121.888 0.3 1 1375 151 151 ARG H H 8.212 0.020 1 1376 151 151 ARG HA H 3.978 0.020 1 1377 151 151 ARG HB2 H 1.614 0.020 1 1378 151 151 ARG HB3 H 1.614 0.020 1 1379 151 151 ARG HG2 H 1.340 0.020 1 1380 151 151 ARG HG3 H 1.340 0.020 1 1381 151 151 ARG HD2 H 2.476 0.020 1 1382 151 151 ARG HD3 H 2.476 0.020 1 1383 151 151 ARG C C 176.881 0.3 1 1384 151 151 ARG CA C 56.490 0.3 1 1385 151 151 ARG CB C 30.532 0.3 1 1386 151 151 ARG CG C 27.011 0.3 1 1387 151 151 ARG N N 120.649 0.3 1 1388 152 152 THR H H 8.006 0.020 1 1389 152 152 THR HA H 4.107 0.020 1 1390 152 152 THR HB H 3.758 0.020 1 1391 152 152 THR HG2 H 0.991 0.020 1 1392 152 152 THR C C 174.992 0.3 1 1393 152 152 THR CA C 62.430 0.3 1 1394 152 152 THR CB C 69.854 0.3 1 1395 152 152 THR CG2 C 21.578 0.3 1 1396 152 152 THR N N 115.636 0.3 1 1397 153 153 LYS H H 8.089 0.020 1 1398 153 153 LYS HA H 3.960 0.020 1 1399 153 153 LYS HB2 H 1.669 0.020 1 1400 153 153 LYS HB3 H 1.669 0.020 1 1401 153 153 LYS HG2 H 0.698 0.020 1 1402 153 153 LYS HG3 H 0.698 0.020 1 1403 153 153 LYS HE2 H 2.879 0.020 1 1404 153 153 LYS HE3 H 2.879 0.020 1 1405 153 153 LYS C C 176.191 0.3 1 1406 153 153 LYS CA C 56.764 0.3 1 1407 153 153 LYS CB C 32.723 0.3 1 1408 153 153 LYS N N 123.002 0.3 1 1409 155 155 THR H H 7.876 0.020 1 1410 155 155 THR HA H 4.216 0.020 1 1411 155 155 THR HB H 3.667 0.020 1 1412 155 155 THR HG2 H 0.698 0.020 1 1413 155 155 THR C C 176.546 0.3 1 1414 155 155 THR CA C 63.974 0.3 1 1415 155 155 THR CB C 70.050 0.3 1 1416 155 155 THR N N 115.835 0.3 1 1417 156 156 SER H H 8.283 0.020 1 1418 156 156 SER CA C 58.122 0.3 1 1419 156 156 SER CB C 64.030 0.3 1 1420 156 156 SER N N 120.802 0.3 1 1421 158 158 LEU H H 8.267 0.020 1 1422 158 158 LEU HA H 4.041 0.020 1 1423 158 158 LEU HB2 H 1.585 0.020 1 1424 158 158 LEU HB3 H 1.585 0.020 1 1425 158 158 LEU HG H 1.585 0.020 1 1426 158 158 LEU C C 176.576 0.3 1 1427 158 158 LEU CA C 54.126 0.3 1 1428 158 158 LEU CB C 41.096 0.3 1 1429 158 158 LEU CD1 C 24.697 0.3 1 1430 158 158 LEU N N 124.334 0.3 1 1431 159 159 ARG H H 8.130 0.020 1 1432 159 159 ARG HA H 4.041 0.020 1 1433 159 159 ARG HB2 H 1.567 0.020 1 1434 159 159 ARG HB3 H 1.567 0.020 1 1435 159 159 ARG HG2 H 1.182 0.020 1 1436 159 159 ARG HG3 H 1.182 0.020 1 1437 159 159 ARG HD2 H 2.538 0.020 1 1438 159 159 ARG HD3 H 2.538 0.020 1 1439 159 159 ARG C C 176.576 0.3 1 1440 159 159 ARG CA C 56.590 0.3 1 1441 159 159 ARG CB C 30.733 0.3 1 1442 159 159 ARG CD C 41.096 0.3 1 1443 159 159 ARG N N 120.799 0.3 1 1444 160 160 ASP H H 8.154 0.020 1 1445 160 160 ASP HA H 4.371 0.020 1 1446 160 160 ASP HB2 H 2.447 0.020 1 1447 160 160 ASP HB3 H 2.447 0.020 1 1448 160 160 ASP C C 177.036 0.3 1 1449 160 160 ASP CA C 54.516 0.3 1 1450 160 160 ASP CB C 41.132 0.3 1 1451 160 160 ASP N N 120.991 0.3 1 1452 161 161 ILE H H 7.892 0.020 1 1453 161 161 ILE HA H 3.894 0.020 1 1454 161 161 ILE HB H 1.530 0.020 1 1455 161 161 ILE HG12 H 0.907 0.020 1 1456 161 161 ILE HG13 H 0.907 0.020 1 1457 161 161 ILE HG2 H 0.578 0.020 1 1458 161 161 ILE HD1 H 0.578 0.020 1 1459 161 161 ILE C C 175.997 0.3 1 1460 161 161 ILE CA C 61.017 0.3 1 1461 161 161 ILE CB C 38.581 0.3 1 1462 161 161 ILE CG1 C 27.212 0.3 1 1463 161 161 ILE CG2 C 17.453 0.3 1 1464 161 161 ILE CD1 C 13.328 0.3 1 1465 161 161 ILE N N 120.662 0.3 1 1466 162 162 ILE H H 8.163 0.020 1 1467 162 162 ILE HA H 3.968 0.020 1 1468 162 162 ILE HB H 1.677 0.020 1 1469 162 162 ILE HG12 H 0.962 0.020 1 1470 162 162 ILE HG13 H 0.962 0.020 1 1471 162 162 ILE HG2 H 0.578 0.020 1 1472 162 162 ILE HD1 H 0.578 0.020 1 1473 162 162 ILE C C 175.820 0.3 1 1474 162 162 ILE CA C 60.816 0.3 1 1475 162 162 ILE CB C 38.632 0.3 1 1476 162 162 ILE CG1 C 27.111 0.3 1 1477 162 162 ILE CG2 C 17.453 0.3 1 1478 162 162 ILE N N 127.446 0.3 1 1479 163 163 ASP H H 8.261 0.020 1 1480 163 163 ASP HA H 4.517 0.020 1 1481 163 163 ASP HB2 H 2.465 0.020 1 1482 163 163 ASP HB3 H 2.465 0.020 1 1483 163 163 ASP C C 176.212 0.3 1 1484 163 163 ASP CA C 54.319 0.3 1 1485 163 163 ASP CB C 41.416 0.3 1 1486 163 163 ASP N N 125.110 0.3 1 1487 164 164 ILE H H 8.009 0.020 1 1488 164 164 ILE HA H 4.041 0.020 1 1489 164 164 ILE HB H 1.714 0.020 1 1490 164 164 ILE HG12 H 0.651 0.020 2 1491 164 164 ILE HG13 H 0.651 0.020 2 1492 164 164 ILE HG2 H 0.651 0.020 1 1493 164 164 ILE C C 176.541 0.3 1 1494 164 164 ILE CA C 61.118 0.3 1 1495 164 164 ILE CB C 38.788 0.3 1 1496 164 164 ILE CG1 C 27.011 0.3 1 1497 164 164 ILE CG2 C 17.554 0.3 1 1498 164 164 ILE N N 121.181 0.3 1 1499 165 165 SER H H 8.319 0.020 1 1500 165 165 SER HA H 4.059 0.020 1 1501 165 165 SER HB2 H 3.638 0.020 1 1502 165 165 SER HB3 H 3.638 0.020 1 1503 165 165 SER C C 174.657 0.3 1 1504 165 165 SER CA C 58.502 0.3 1 1505 165 165 SER CB C 63.993 0.3 1 1506 165 165 SER N N 120.019 0.3 1 1507 166 166 ASP H H 8.247 0.020 1 1508 166 166 ASP HA H 4.224 0.020 1 1509 166 166 ASP HB2 H 2.703 0.020 1 1510 166 166 ASP HB3 H 2.703 0.020 1 1511 166 166 ASP C C 176.665 0.3 1 1512 166 166 ASP CA C 54.455 0.3 1 1513 166 166 ASP CB C 41.144 0.3 1 1514 166 166 ASP N N 122.610 0.3 1 1515 167 167 GLU H H 8.318 0.020 1 1516 167 167 GLU HA H 4.059 0.020 1 1517 167 167 GLU HB2 H 1.732 0.020 1 1518 167 167 GLU HB3 H 1.732 0.020 1 1519 167 167 GLU HG2 H 2.043 0.020 1 1520 167 167 GLU HG3 H 2.043 0.020 1 1521 167 167 GLU C C 176.302 0.3 1 1522 167 167 GLU CA C 56.288 0.3 1 1523 167 167 GLU CB C 30.219 0.3 1 1524 167 167 GLU CG C 36.166 0.3 1 1525 167 167 GLU N N 122.005 0.3 1 1526 168 168 GLU H H 8.203 0.020 1 1527 168 168 GLU HA H 4.059 0.020 1 1528 168 168 GLU HB2 H 1.585 0.020 1 1529 168 168 GLU HB3 H 1.585 0.020 1 1530 168 168 GLU HG2 H 2.080 0.020 1 1531 168 168 GLU HG3 H 2.080 0.020 1 1532 168 168 GLU C C 176.515 0.3 1 1533 168 168 GLU CA C 56.596 0.3 1 1534 168 168 GLU CB C 30.211 0.3 1 1535 168 168 GLU CG C 33.249 0.3 1 1536 168 168 GLU N N 123.184 0.3 1 1537 169 169 ASP H H 8.266 0.020 1 1538 169 169 ASP HA H 4.389 0.020 1 1539 169 169 ASP HB2 H 2.483 0.020 1 1540 169 169 ASP HB3 H 2.483 0.020 1 1541 169 169 ASP C C 176.972 0.3 1 1542 169 169 ASP CA C 54.614 0.3 1 1543 169 169 ASP CB C 41.328 0.3 1 1544 169 169 ASP N N 121.534 0.3 1 1545 170 170 GLY H H 8.175 0.020 1 1546 170 170 GLY HA2 H 3.729 0.020 1 1547 170 170 GLY HA3 H 3.729 0.020 1 1548 170 170 GLY C C 174.100 0.3 1 1549 170 170 GLY CA C 45.322 0.3 1 1550 170 170 GLY N N 109.363 0.3 1 1551 171 171 ASP H H 8.163 0.020 1 1552 171 171 ASP HA H 4.389 0.020 1 1553 171 171 ASP HB2 H 2.465 0.020 1 1554 171 171 ASP HB3 H 2.465 0.020 1 1555 171 171 ASP C C 176.660 0.3 1 1556 171 171 ASP CA C 54.419 0.3 1 1557 171 171 ASP CB C 41.230 0.3 1 1558 171 171 ASP N N 120.390 0.3 1 1559 172 172 LYS H H 8.091 0.020 1 1560 172 172 LYS HA H 4.077 0.020 1 1561 172 172 LYS HB2 H 1.604 0.020 1 1562 172 172 LYS HB3 H 1.604 0.020 1 1563 172 172 LYS HG2 H 1.201 0.020 1 1564 172 172 LYS HG3 H 1.201 0.020 1 1565 172 172 LYS HE2 H 2.776 0.020 1 1566 172 172 LYS HE3 H 2.776 0.020 1 1567 172 172 LYS C C 176.660 0.3 1 1568 172 172 LYS CA C 56.288 0.3 1 1569 172 172 LYS CB C 32.535 0.3 1 1570 172 172 LYS CG C 24.596 0.3 1 1571 172 172 LYS CD C 28.922 0.3 1 1572 172 172 LYS CE C 41.398 0.3 1 1573 172 172 LYS N N 121.500 0.3 1 1574 173 173 ASN H H 8.313 0.020 1 1575 173 173 ASN HA H 4.536 0.020 1 1576 173 173 ASN HB2 H 2.575 0.020 1 1577 173 173 ASN HB3 H 2.575 0.020 1 1578 173 173 ASN C C 175.297 0.3 1 1579 173 173 ASN CA C 53.442 0.3 1 1580 173 173 ASN CB C 38.883 0.3 1 1581 173 173 ASN N N 119.704 0.3 1 1582 174 174 ASP H H 8.188 0.020 1 1583 174 174 ASP HA H 4.371 0.020 1 1584 174 174 ASP HB2 H 2.465 0.020 1 1585 174 174 ASP HB3 H 2.465 0.020 1 1586 174 174 ASP C C 176.515 0.3 1 1587 174 174 ASP CA C 54.516 0.3 1 1588 174 174 ASP CB C 40.996 0.3 1 1589 174 174 ASP N N 121.069 0.3 1 1590 175 175 GLU H H 8.195 0.020 1 1591 175 175 GLU HA H 3.931 0.020 1 1592 175 175 GLU HB2 H 1.677 0.020 1 1593 175 175 GLU HB3 H 1.677 0.020 1 1594 175 175 GLU HG2 H 1.879 0.020 1 1595 175 175 GLU HG3 H 1.879 0.020 1 1596 175 175 GLU C C 176.681 0.3 1 1597 175 175 GLU CA C 57.194 0.3 1 1598 175 175 GLU CB C 30.230 0.3 1 1599 175 175 GLU CG C 36.166 0.3 1 1600 175 175 GLU N N 120.649 0.3 1 1601 176 176 TYR H H 8.006 0.020 1 1602 176 176 TYR HA H 4.297 0.020 1 1603 176 176 TYR HB2 H 2.795 0.020 1 1604 176 176 TYR HB3 H 2.795 0.020 1 1605 176 176 TYR C C 176.268 0.3 1 1606 176 176 TYR CA C 58.424 0.3 1 1607 176 176 TYR CB C 38.380 0.3 1 1608 176 176 TYR N N 120.323 0.3 1 1609 177 177 THR H H 7.776 0.020 1 1610 177 177 THR HA H 3.913 0.020 1 1611 177 177 THR HB H 3.803 0.020 1 1612 177 177 THR HG2 H 0.816 0.020 1 1613 177 177 THR C C 174.431 0.3 1 1614 177 177 THR CA C 62.723 0.3 1 1615 177 177 THR CB C 69.952 0.3 1 1616 177 177 THR CG2 C 21.578 0.3 1 1617 177 177 THR N N 116.248 0.3 1 1618 178 178 LEU H H 7.853 0.020 1 1619 178 178 LEU HA H 4.004 0.020 1 1620 178 178 LEU HB2 H 1.237 0.020 1 1621 178 178 LEU HB3 H 1.237 0.020 1 1622 178 178 LEU HG H 1.237 0.020 1 1623 178 178 LEU HD1 H 0.633 0.020 1 1624 178 178 LEU HD2 H 0.633 0.020 1 1625 178 178 LEU C C 177.197 0.3 1 1626 178 178 LEU CA C 55.584 0.3 1 1627 178 178 LEU CB C 41.914 0.3 1 1628 178 178 LEU CG C 26.608 0.3 1 1629 178 178 LEU CD1 C 24.898 0.3 1 1630 178 178 LEU N N 124.076 0.3 1 1631 179 179 TRP H H 7.803 0.020 1 1632 179 179 TRP HA H 4.407 0.020 1 1633 179 179 TRP HB2 H 3.033 0.020 1 1634 179 179 TRP HB3 H 3.033 0.020 1 1635 179 179 TRP C C 176.165 0.3 1 1636 179 179 TRP CA C 57.056 0.3 1 1637 179 179 TRP CB C 29.526 0.3 1 1638 179 179 TRP N N 121.378 0.3 1 1639 180 180 ALA H H 7.919 0.020 1 1640 180 180 ALA HA H 3.968 0.020 1 1641 180 180 ALA HB H 1.036 0.020 1 1642 180 180 ALA C C 177.383 0.3 1 1643 180 180 ALA CA C 52.563 0.3 1 1644 180 180 ALA CB C 19.249 0.3 1 1645 180 180 ALA N N 125.178 0.3 1 1646 181 181 ASN H H 8.031 0.020 1 1647 181 181 ASN HA H 4.418 0.020 1 1648 181 181 ASN HB2 H 2.494 0.020 1 1649 181 181 ASN HB3 H 2.494 0.020 1 1650 181 181 ASN C C 176.576 0.3 1 1651 181 181 ASN CA C 53.170 0.3 1 1652 181 181 ASN CB C 38.883 0.3 1 1653 181 181 ASN N N 117.745 0.3 1 1654 182 182 ASP H H 8.130 0.020 1 1655 182 182 ASP HA H 4.418 0.020 1 1656 182 182 ASP HB2 H 2.457 0.020 2 1657 182 182 ASP HB3 H 2.476 0.020 2 1658 182 182 ASP C C 176.660 0.3 1 1659 182 182 ASP CA C 54.419 0.3 1 1660 182 182 ASP CB C 41.035 0.3 1 1661 182 182 ASP N N 121.042 0.3 1 1662 183 183 SER H H 8.098 0.020 1 1663 183 183 SER HA H 4.125 0.020 1 1664 183 183 SER HB2 H 3.648 0.020 1 1665 183 183 SER HB3 H 3.648 0.020 1 1666 183 183 SER C C 174.823 0.3 1 1667 183 183 SER CA C 59.010 0.3 1 1668 183 183 SER CB C 63.734 0.3 1 1669 183 183 SER N N 116.233 0.3 1 1670 184 184 GLU H H 8.208 0.020 1 1671 184 184 GLU HA H 4.052 0.020 1 1672 184 184 GLU HB2 H 1.779 0.020 1 1673 184 184 GLU HB3 H 1.779 0.020 1 1674 184 184 GLU HG2 H 2.054 0.020 1 1675 184 184 GLU HG3 H 2.054 0.020 1 1676 184 184 GLU C C 176.474 0.3 1 1677 184 184 GLU CA C 56.470 0.3 1 1678 184 184 GLU CB C 29.929 0.3 1 1679 184 184 GLU CG C 36.267 0.3 1 1680 184 184 GLU N N 122.361 0.3 1 1681 185 185 ALA H H 8.073 0.020 1 1682 185 185 ALA HA H 4.107 0.020 1 1683 185 185 ALA HB H 1.175 0.020 1 1684 185 185 ALA C C 178.064 0.3 1 1685 185 185 ALA CA C 52.666 0.3 1 1686 185 185 ALA CB C 18.962 0.3 1 1687 185 185 ALA N N 124.942 0.3 1 1688 186 186 SER H H 8.182 0.020 1 1689 186 186 SER HA H 4.235 0.020 1 1690 186 186 SER HB2 H 3.667 0.020 1 1691 186 186 SER HB3 H 3.667 0.020 1 1692 186 186 SER C C 174.678 0.3 1 1693 186 186 SER CA C 58.522 0.3 1 1694 186 186 SER CB C 63.993 0.3 1 1695 186 186 SER N N 115.445 0.3 1 1696 187 187 ASP H H 8.262 0.020 1 1697 187 187 ASP HA H 4.455 0.020 1 1698 187 187 ASP HB2 H 2.476 0.020 1 1699 187 187 ASP HB3 H 2.476 0.020 1 1700 187 187 ASP C C 176.515 0.3 1 1701 187 187 ASP CA C 54.591 0.3 1 1702 187 187 ASP CB C 41.076 0.3 1 1703 187 187 ASP N N 122.452 0.3 1 1704 188 188 SER H H 8.072 0.020 1 1705 188 188 SER HA H 4.162 0.020 1 1706 188 188 SER HB2 H 3.667 0.020 1 1707 188 188 SER HB3 H 3.667 0.020 1 1708 188 188 SER C C 174.782 0.3 1 1709 188 188 SER CA C 58.401 0.3 1 1710 188 188 SER CB C 63.924 0.3 1 1711 188 188 SER N N 115.835 0.3 1 1712 189 189 GLU H H 8.276 0.020 1 1713 189 189 GLU HA H 4.125 0.020 1 1714 189 189 GLU HB2 H 1.779 0.020 1 1715 189 189 GLU HB3 H 1.779 0.020 1 1716 189 189 GLU HG2 H 2.036 0.020 1 1717 189 189 GLU HG3 H 2.036 0.020 1 1718 189 189 GLU C C 176.722 0.3 1 1719 189 189 GLU CA C 56.373 0.3 1 1720 189 189 GLU CB C 30.029 0.3 1 1721 189 189 GLU CG C 36.166 0.3 1 1722 189 189 GLU N N 122.914 0.3 1 1723 190 190 VAL H H 7.956 0.020 1 1724 190 190 VAL HA H 3.868 0.020 1 1725 190 190 VAL HB H 1.853 0.020 1 1726 190 190 VAL HG1 H 0.717 0.020 1 1727 190 190 VAL HG2 H 0.717 0.020 1 1728 190 190 VAL C C 176.062 0.3 1 1729 190 190 VAL CA C 62.430 0.3 1 1730 190 190 VAL CB C 32.828 0.3 1 1731 190 190 VAL CG1 C 20.773 0.3 1 1732 190 190 VAL N N 120.960 0.3 1 1733 191 191 ASP H H 8.303 0.020 1 1734 191 191 ASP HA H 4.363 0.020 1 1735 191 191 ASP HB2 H 2.476 0.020 1 1736 191 191 ASP HB3 H 2.476 0.020 1 1737 191 191 ASP C C 176.129 0.3 1 1738 191 191 ASP CA C 54.321 0.3 1 1739 191 191 ASP CB C 41.132 0.3 1 1740 191 191 ASP N N 124.476 0.3 1 1741 192 192 ALA H H 8.117 0.020 1 1742 192 192 ALA HA H 4.052 0.020 1 1743 192 192 ALA HB H 1.175 0.020 1 1744 192 192 ALA C C 177.754 0.3 1 1745 192 192 ALA CA C 52.786 0.3 1 1746 192 192 ALA CB C 19.249 0.3 1 1747 192 192 ALA N N 124.942 0.3 1 1748 193 193 ASP H H 8.207 0.020 1 1749 193 193 ASP HA H 4.381 0.020 1 1750 193 193 ASP HB2 H 2.457 0.020 1 1751 193 193 ASP HB3 H 2.457 0.020 1 1752 193 193 ASP C C 176.185 0.3 1 1753 193 193 ASP CA C 54.419 0.3 1 1754 193 193 ASP CB C 40.839 0.3 1 1755 193 193 ASP N N 119.212 0.3 1 1756 194 194 ASN H H 8.085 0.020 1 1757 194 194 ASN HA H 4.510 0.020 1 1758 194 194 ASN HB2 H 2.549 0.020 1 1759 194 194 ASN HB3 H 2.549 0.020 1 1760 194 194 ASN C C 175.153 0.3 1 1761 194 194 ASN CA C 53.149 0.3 1 1762 194 194 ASN CB C 39.084 0.3 1 1763 194 194 ASN N N 118.881 0.3 1 1764 195 195 ASP H H 8.250 0.020 1 1765 195 195 ASP HA H 4.455 0.020 1 1766 195 195 ASP HB2 H 2.494 0.020 1 1767 195 195 ASP HB3 H 2.494 0.020 1 1768 195 195 ASP C C 176.660 0.3 1 1769 195 195 ASP CA C 54.516 0.3 1 1770 195 195 ASP CB C 41.132 0.3 1 1771 195 195 ASP N N 121.403 0.3 1 1772 196 196 THR H H 8.008 0.020 1 1773 196 196 THR HA H 4.107 0.020 1 1774 196 196 THR HB H 3.740 0.020 1 1775 196 196 THR HG2 H 1.010 0.020 1 1776 196 196 THR C C 175.053 0.3 1 1777 196 196 THR CA C 62.526 0.3 1 1778 196 196 THR CB C 69.670 0.3 1 1779 196 196 THR CG2 C 21.578 0.3 1 1780 196 196 THR N N 114.366 0.3 1 1781 197 197 GLU H H 8.089 0.020 1 1782 197 197 GLU HA H 4.070 0.020 1 1783 197 197 GLU HB2 H 1.779 0.020 1 1784 197 197 GLU HB3 H 1.779 0.020 1 1785 197 197 GLU HG2 H 2.054 0.020 1 1786 197 197 GLU HG3 H 2.054 0.020 1 1787 197 197 GLU C C 176.759 0.3 1 1788 197 197 GLU CA C 56.691 0.3 1 1789 197 197 GLU CB C 30.130 0.3 1 1790 197 197 GLU CG C 36.166 0.3 1 1791 197 197 GLU N N 123.188 0.3 1 1792 198 198 GLU H H 8.279 0.020 1 1793 198 198 GLU HA H 4.015 0.020 1 1794 198 198 GLU HB2 H 1.761 0.020 1 1795 198 198 GLU HB3 H 1.761 0.020 1 1796 198 198 GLU HG2 H 2.073 0.020 1 1797 198 198 GLU HG3 H 2.073 0.020 1 1798 198 198 GLU C C 176.743 0.3 1 1799 198 198 GLU CA C 56.763 0.3 1 1800 198 198 GLU CB C 30.386 0.3 1 1801 198 198 GLU CG C 36.166 0.3 1 1802 198 198 GLU N N 122.147 0.3 1 1803 199 199 GLU H H 8.334 0.020 1 1804 199 199 GLU HA H 4.033 0.020 1 1805 199 199 GLU HB2 H 1.761 0.020 1 1806 199 199 GLU HB3 H 1.761 0.020 1 1807 199 199 GLU HG2 H 2.073 0.020 1 1808 199 199 GLU HG3 H 2.073 0.020 1 1809 199 199 GLU C C 176.722 0.3 1 1810 199 199 GLU CA C 56.568 0.3 1 1811 199 199 GLU CB C 30.191 0.3 1 1812 199 199 GLU CG C 36.368 0.3 1 1813 199 199 GLU N N 122.662 0.3 1 1814 200 200 LYS H H 8.242 0.020 1 1815 200 200 LYS HA H 4.162 0.020 1 1816 200 200 LYS HB2 H 1.559 0.020 1 1817 200 200 LYS HB3 H 1.559 0.020 1 1818 200 200 LYS HG2 H 1.230 0.020 1 1819 200 200 LYS HG3 H 1.230 0.020 1 1820 200 200 LYS HD2 H 1.559 0.020 1 1821 200 200 LYS HD3 H 1.559 0.020 1 1822 200 200 LYS HE2 H 2.934 0.020 1 1823 200 200 LYS HE3 H 2.934 0.020 1 1824 200 200 LYS C C 175.297 0.3 1 1825 200 200 LYS CA C 56.763 0.3 1 1826 200 200 LYS CB C 32.731 0.3 1 1827 200 200 LYS CG C 24.697 0.3 1 1828 200 200 LYS CE C 40.996 0.3 1 1829 200 200 LYS N N 123.002 0.3 1 1830 201 201 ASP H H 8.201 0.020 1 1831 201 201 ASP C C 176.968 0.3 1 1832 201 201 ASP CA C 54.614 0.3 1 1833 201 201 ASP CB C 41.132 0.3 1 1834 201 201 ASP N N 121.136 0.3 1 1835 203 203 LYS H H 8.194 0.020 1 1836 203 203 LYS HA H 4.033 0.020 1 1837 203 203 LYS HB2 H 1.559 0.020 1 1838 203 203 LYS HB3 H 1.559 0.020 1 1839 203 203 LYS HG2 H 1.230 0.020 1 1840 203 203 LYS HG3 H 1.230 0.020 1 1841 203 203 LYS HD2 H 1.559 0.020 1 1842 203 203 LYS HD3 H 1.559 0.020 1 1843 203 203 LYS HE2 H 2.842 0.020 1 1844 203 203 LYS HE3 H 2.842 0.020 1 1845 203 203 LYS C C 176.850 0.3 1 1846 203 203 LYS CA C 56.763 0.3 1 1847 203 203 LYS CB C 32.544 0.3 1 1848 203 203 LYS CG C 24.697 0.3 1 1849 203 203 LYS CD C 29.023 0.3 1 1850 203 203 LYS CE C 42.102 0.3 1 1851 203 203 LYS N N 121.521 0.3 1 1852 204 204 LEU H H 7.971 0.020 1 1853 204 204 LEU HA H 4.125 0.020 1 1854 204 204 LEU HB2 H 1.413 0.020 1 1855 204 204 LEU HB3 H 1.413 0.020 1 1856 204 204 LEU HG H 1.413 0.020 1 1857 204 204 LEU HD1 H 0.698 0.020 1 1858 204 204 LEU HD2 H 0.698 0.020 1 1859 204 204 LEU C C 177.589 0.3 1 1860 204 204 LEU CA C 55.182 0.3 1 1861 204 204 LEU CB C 41.901 0.3 1 1862 204 204 LEU CG C 26.810 0.3 1 1863 204 204 LEU CD1 C 24.697 0.3 1 1864 204 204 LEU N N 122.539 0.3 1 1865 205 205 ILE H H 7.925 0.020 1 1866 205 205 ILE HA H 3.887 0.020 1 1867 205 205 ILE HB H 1.669 0.020 1 1868 205 205 ILE HG2 H 0.662 0.020 1 1869 205 205 ILE HD1 H 0.662 0.020 1 1870 205 205 ILE C C 176.330 0.3 1 1871 205 205 ILE CA C 61.453 0.3 1 1872 205 205 ILE CB C 38.788 0.3 1 1873 205 205 ILE CG1 C 27.212 0.3 1 1874 205 205 ILE CG2 C 17.252 0.3 1 1875 205 205 ILE N N 121.312 0.3 1 1876 206 206 ASP H H 8.176 0.020 1 1877 206 206 ASP HA H 4.345 0.020 1 1878 206 206 ASP HB2 H 2.457 0.020 1 1879 206 206 ASP HB3 H 2.457 0.020 1 1880 206 206 ASP C C 176.536 0.3 1 1881 206 206 ASP CA C 54.516 0.3 1 1882 206 206 ASP CB C 41.035 0.3 1 1883 206 206 ASP N N 124.175 0.3 1 1884 207 207 ALA H H 8.092 0.020 1 1885 207 207 ALA HA H 3.978 0.020 1 1886 207 207 ALA HB H 1.175 0.020 1 1887 207 207 ALA C C 178.353 0.3 1 1888 207 207 ALA CA C 53.539 0.3 1 1889 207 207 ALA CB C 19.249 0.3 1 1890 207 207 ALA N N 124.246 0.3 1 1891 208 208 ASP H H 8.126 0.020 1 1892 208 208 ASP HA H 4.198 0.020 1 1893 208 208 ASP HB2 H 2.457 0.020 1 1894 208 208 ASP HB3 H 2.457 0.020 1 1895 208 208 ASP C C 176.743 0.3 1 1896 208 208 ASP CA C 55.103 0.3 1 1897 208 208 ASP CB C 40.937 0.3 1 1898 208 208 ASP N N 118.557 0.3 1 1899 209 209 PHE H H 7.865 0.020 1 1900 209 209 PHE HA H 4.271 0.020 1 1901 209 209 PHE HB2 H 2.897 0.020 1 1902 209 209 PHE HB3 H 2.897 0.020 1 1903 209 209 PHE C C 175.793 0.3 1 1904 209 209 PHE CA C 59.108 0.3 1 1905 209 209 PHE CB C 39.178 0.3 1 1906 209 209 PHE N N 120.720 0.3 1 1907 211 211 LYS H H 7.824 0.020 1 1908 211 211 LYS HA H 3.942 0.020 1 1909 211 211 LYS HB2 H 1.486 0.020 1 1910 211 211 LYS HB3 H 1.486 0.020 1 1911 211 211 LYS HG2 H 1.101 0.020 1 1912 211 211 LYS HG3 H 1.101 0.020 1 1913 211 211 LYS HD2 H 1.486 0.020 1 1914 211 211 LYS HD3 H 1.486 0.020 1 1915 211 211 LYS HE2 H 2.842 0.020 1 1916 211 211 LYS HE3 H 2.842 0.020 1 1917 211 211 LYS C C 177.094 0.3 1 1918 211 211 LYS CA C 57.295 0.3 1 1919 211 211 LYS CB C 32.731 0.3 1 1920 211 211 LYS CG C 24.797 0.3 1 1921 211 211 LYS CE C 40.996 0.3 1 1922 211 211 LYS N N 121.227 0.3 1 1923 212 212 TYR H H 7.881 0.020 1 1924 212 212 TYR HA H 4.290 0.020 1 1925 212 212 TYR HB2 H 2.824 0.020 1 1926 212 212 TYR HB3 H 2.824 0.020 1 1927 212 212 TYR C C 176.212 0.3 1 1928 212 212 TYR CA C 58.522 0.3 1 1929 212 212 TYR CB C 38.495 0.3 1 1930 212 212 TYR N N 120.578 0.3 1 1931 213 213 GLU H H 7.974 0.020 1 1932 213 213 GLU HA H 3.887 0.020 1 1933 213 213 GLU HB2 H 1.706 0.020 1 1934 213 213 GLU HB3 H 1.706 0.020 1 1935 213 213 GLU HG2 H 1.963 0.020 1 1936 213 213 GLU HG3 H 1.963 0.020 1 1937 213 213 GLU C C 176.624 0.3 1 1938 213 213 GLU CA C 56.959 0.3 1 1939 213 213 GLU CB C 30.191 0.3 1 1940 213 213 GLU CG C 36.267 0.3 1 1941 213 213 GLU N N 122.280 0.3 1 1942 214 214 ALA H H 8.005 0.020 1 1943 214 214 ALA HA H 3.997 0.020 1 1944 214 214 ALA HB H 1.175 0.020 1 1945 214 214 ALA C C 178.394 0.3 1 1946 214 214 ALA CA C 53.246 0.3 1 1947 214 214 ALA CB C 18.858 0.3 1 1948 214 214 ALA N N 124.575 0.3 1 1949 215 215 LYS H H 7.989 0.020 1 1950 215 215 LYS HA H 3.997 0.020 1 1951 215 215 LYS HB2 H 1.596 0.020 1 1952 215 215 LYS HB3 H 1.596 0.020 1 1953 215 215 LYS HG2 H 1.248 0.020 1 1954 215 215 LYS HG3 H 1.248 0.020 1 1955 215 215 LYS HD2 H 1.596 0.020 1 1956 215 215 LYS HD3 H 1.596 0.020 1 1957 215 215 LYS HE2 H 2.934 0.020 1 1958 215 215 LYS HE3 H 2.934 0.020 1 1959 215 215 LYS C C 177.280 0.3 1 1960 215 215 LYS CA C 56.691 0.3 1 1961 215 215 LYS CB C 32.645 0.3 1 1962 215 215 LYS CG C 24.898 0.3 1 1963 215 215 LYS CD C 30.432 0.3 1 1964 215 215 LYS CE C 42.102 0.3 1 1965 215 215 LYS N N 119.690 0.3 1 1966 216 216 LEU H H 7.960 0.020 1 1967 216 216 LEU HA H 4.143 0.020 1 1968 216 216 LEU HB2 H 1.578 0.020 2 1969 216 216 LEU HB3 H 1.266 0.020 2 1970 216 216 LEU HG H 1.266 0.020 1 1971 216 216 LEU C C 176.546 0.3 1 1972 216 216 LEU CA C 56.490 0.3 1 1973 216 216 LEU CB C 40.895 0.3 1 1974 216 216 LEU CD1 C 24.797 0.3 1 1975 216 216 LEU N N 122.328 0.3 1 1976 217 217 SER H H 8.085 0.020 1 1977 217 217 SER HA H 4.052 0.020 1 1978 217 217 SER HB2 H 3.612 0.020 1 1979 217 217 SER HB3 H 3.612 0.020 1 1980 217 217 SER C C 174.443 0.3 1 1981 217 217 SER CA C 58.721 0.3 1 1982 217 217 SER CB C 64.073 0.3 1 1983 217 217 SER N N 115.835 0.3 1 1984 218 218 LYS H H 8.349 0.020 1 1985 218 218 LYS HA H 4.070 0.020 1 1986 218 218 LYS HE2 H 2.512 0.020 1 1987 218 218 LYS HE3 H 2.512 0.020 1 1988 218 218 LYS C C 176.727 0.3 1 1989 218 218 LYS CA C 56.792 0.3 1 1990 218 218 LYS CB C 30.317 0.3 1 1991 218 218 LYS N N 122.592 0.3 1 1992 220 220 ILE H H 8.067 0.020 1 1993 220 220 ILE HA H 3.923 0.020 1 1994 220 220 ILE HB H 1.633 0.020 1 1995 220 220 ILE HG12 H 0.991 0.020 1 1996 220 220 ILE HG13 H 0.991 0.020 1 1997 220 220 ILE HG2 H 0.662 0.020 1 1998 220 220 ILE HD1 H 0.662 0.020 1 1999 220 220 ILE C C 176.124 0.3 1 2000 220 220 ILE CA C 61.160 0.3 1 2001 220 220 ILE CB C 38.495 0.3 1 2002 220 220 ILE CG1 C 27.313 0.3 1 2003 220 220 ILE CG2 C 17.453 0.3 1 2004 220 220 ILE CD1 C 12.825 0.3 1 2005 220 220 ILE N N 123.013 0.3 1 2006 221 221 LEU H H 8.199 0.020 1 2007 221 221 LEU HA H 4.107 0.020 1 2008 221 221 LEU HB2 H 1.431 0.020 1 2009 221 221 LEU HB3 H 1.431 0.020 1 2010 221 221 LEU HG H 1.431 0.020 1 2011 221 221 LEU HD1 H 0.680 0.020 1 2012 221 221 LEU HD2 H 0.680 0.020 1 2013 221 221 LEU C C 176.933 0.3 1 2014 221 221 LEU CA C 55.103 0.3 1 2015 221 221 LEU CB C 42.109 0.3 1 2016 221 221 LEU CG C 26.810 0.3 1 2017 221 221 LEU CD1 C 24.697 0.3 1 2018 221 221 LEU N N 127.048 0.3 1 2019 222 222 ARG H H 8.174 0.020 1 2020 222 222 ARG HA H 4.180 0.020 1 2021 222 222 ARG HG2 H 1.523 0.020 1 2022 222 222 ARG HG3 H 1.523 0.020 1 2023 222 222 ARG HD2 H 2.952 0.020 1 2024 222 222 ARG HD3 H 2.952 0.020 1 2025 222 222 ARG C C 175.266 0.3 1 2026 222 222 ARG CA C 56.108 0.3 1 2027 222 222 ARG CB C 31.001 0.3 1 2028 222 222 ARG CG C 26.810 0.3 1 2029 222 222 ARG CD C 43.511 0.3 1 2030 222 222 ARG N N 122.744 0.3 1 2031 223 223 ASP H H 8.024 0.020 1 2032 223 223 ASP HA H 4.345 0.020 1 2033 223 223 ASP HB2 H 2.237 0.020 1 2034 223 223 ASP HB3 H 2.237 0.020 1 2035 223 223 ASP C C 176.562 0.3 1 2036 223 223 ASP CA C 55.131 0.3 1 2037 223 223 ASP CB C 40.965 0.3 1 2038 223 223 ASP N N 125.587 0.3 1 stop_ save_