data_16108 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain assignment of the lipidated and non-lipidated forms of the meningococcal outer membrane protein LP2086 ; _BMRB_accession_number 16108 _BMRB_flat_file_name bmr16108.str _Entry_type original _Submission_date 2009-01-05 _Accession_date 2009-01-05 _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 Mascioni Alessandro . . 2 Jaison Jacob . . 3 Franklin Moy . . 4 Deborah Dilts A. . 5 Pamela Fink . . 6 Karl Malakian . . 7 Scott Sigethy . . 8 Yingxia Wen . . 9 Elena Novikova . . 10 Gary Zlotnick W. . 11 'D sir e' Tsao H.H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1227 "13C chemical shifts" 365 "15N chemical shifts" 258 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-20 update BMRB 'added PubMed ID' 2009-06-05 update BMRB 'completed entry citation' 2009-03-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side-chain assignment of the lipidated and non-lipidated forms of the meningococcal outer membrane protein LP2086' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636959 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mascioni Alessandro . . 2 Jacob Jaison . . 3 Moy Franklin . . 4 Dilts Deborah . . 5 Fink Pamela . . 6 Malakian Karl . . 7 Sigethy Scott . . 8 Wen Yingxia . . 9 Novikova Elena . . 10 Zlotnick Gary W. . 11 Tsao 'D sir e' H.H. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 111 _Page_last 113 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'single polypeptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LP2086 $LP2086 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_LP2086 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LP2086 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 261 _Mol_residue_sequence ; MGSSGGGGSGGGGVTADIGT GLADALTAPLDHKDKGLKSL TLEDSISQNGTLTLSAQGAE KTYGNGDSLNTGKLKNDKVS RFDFIRQIEVDGQLITLESG EFQVYKQSHSALTALQTEQE QDPEHSEKMVAKRRFRIGDI AGEHTSFDKLPKDVMATYRG TAFGSDDAGGKLTYTIDFAA KQGHGKIEHLKSPELNVDLA VAYIKPDEKHHAVISGSVLY NQDEKGSYSLGIFGEKAQEV AGSAEVETANGIHHIGLAAK Q ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 GLY 6 GLY 7 GLY 8 GLY 9 SER 10 GLY 11 GLY 12 GLY 13 GLY 14 VAL 15 THR 16 ALA 17 ASP 18 ILE 19 GLY 20 THR 21 GLY 22 LEU 23 ALA 24 ASP 25 ALA 26 LEU 27 THR 28 ALA 29 PRO 30 LEU 31 ASP 32 HIS 33 LYS 34 ASP 35 LYS 36 GLY 37 LEU 38 LYS 39 SER 40 LEU 41 THR 42 LEU 43 GLU 44 ASP 45 SER 46 ILE 47 SER 48 GLN 49 ASN 50 GLY 51 THR 52 LEU 53 THR 54 LEU 55 SER 56 ALA 57 GLN 58 GLY 59 ALA 60 GLU 61 LYS 62 THR 63 TYR 64 GLY 65 ASN 66 GLY 67 ASP 68 SER 69 LEU 70 ASN 71 THR 72 GLY 73 LYS 74 LEU 75 LYS 76 ASN 77 ASP 78 LYS 79 VAL 80 SER 81 ARG 82 PHE 83 ASP 84 PHE 85 ILE 86 ARG 87 GLN 88 ILE 89 GLU 90 VAL 91 ASP 92 GLY 93 GLN 94 LEU 95 ILE 96 THR 97 LEU 98 GLU 99 SER 100 GLY 101 GLU 102 PHE 103 GLN 104 VAL 105 TYR 106 LYS 107 GLN 108 SER 109 HIS 110 SER 111 ALA 112 LEU 113 THR 114 ALA 115 LEU 116 GLN 117 THR 118 GLU 119 GLN 120 GLU 121 GLN 122 ASP 123 PRO 124 GLU 125 HIS 126 SER 127 GLU 128 LYS 129 MET 130 VAL 131 ALA 132 LYS 133 ARG 134 ARG 135 PHE 136 ARG 137 ILE 138 GLY 139 ASP 140 ILE 141 ALA 142 GLY 143 GLU 144 HIS 145 THR 146 SER 147 PHE 148 ASP 149 LYS 150 LEU 151 PRO 152 LYS 153 ASP 154 VAL 155 MET 156 ALA 157 THR 158 TYR 159 ARG 160 GLY 161 THR 162 ALA 163 PHE 164 GLY 165 SER 166 ASP 167 ASP 168 ALA 169 GLY 170 GLY 171 LYS 172 LEU 173 THR 174 TYR 175 THR 176 ILE 177 ASP 178 PHE 179 ALA 180 ALA 181 LYS 182 GLN 183 GLY 184 HIS 185 GLY 186 LYS 187 ILE 188 GLU 189 HIS 190 LEU 191 LYS 192 SER 193 PRO 194 GLU 195 LEU 196 ASN 197 VAL 198 ASP 199 LEU 200 ALA 201 VAL 202 ALA 203 TYR 204 ILE 205 LYS 206 PRO 207 ASP 208 GLU 209 LYS 210 HIS 211 HIS 212 ALA 213 VAL 214 ILE 215 SER 216 GLY 217 SER 218 VAL 219 LEU 220 TYR 221 ASN 222 GLN 223 ASP 224 GLU 225 LYS 226 GLY 227 SER 228 TYR 229 SER 230 LEU 231 GLY 232 ILE 233 PHE 234 GLY 235 GLU 236 LYS 237 ALA 238 GLN 239 GLU 240 VAL 241 ALA 242 GLY 243 SER 244 ALA 245 GLU 246 VAL 247 GLU 248 THR 249 ALA 250 ASN 251 GLY 252 ILE 253 HIS 254 HIS 255 ILE 256 GLY 257 LEU 258 ALA 259 ALA 260 LYS 261 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2KDY "Nmr Structure Of Lp2086-B01" 100.00 261 100.00 100.00 0.00e+00 GB AAR84481 "factor H binding protein variant B01_001 [Neisseria meningitidis]" 99.23 260 100.00 100.00 0.00e+00 GB ACI46772 "factor H binding protein variant B103_001 [Neisseria meningitidis]" 99.23 260 97.68 98.84 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LP2086 'Neisseria meningitidis' 487 Bacteria . Neisseria meningitidis 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 $LP2086 'recombinant technology' . Escherichia coli . pET9a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LP2086 0.8 mM '[U-100% 15N]' 'sodium phosphate' 30 mM 'natural abundance' 'sodium chloride' 90 mM 'natural abundance' D2O 5 % 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LP2086 0.8 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 30 mM 'natural abundance' 'sodium chloride' 90 mM 'natural abundance' D2O 5 % 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard 'Goddard TD, Kneller DG, SPARKY 3, University of California, San Francisco' . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.7 . pH pressure 1 . atm temperature 303 . K 'temperature controller setting' 307.8 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '2D 1H-15N HSQC' '3D 1H-13C NOESY' 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 LP2086 _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 9 9 SER H H 8.293 0.03 1 2 9 9 SER HA H 4.432 0.03 1 3 9 9 SER N N 116.407 0.05 1 4 10 10 GLY H H 8.472 0.03 1 5 10 10 GLY N N 111.611 0.05 1 6 14 14 VAL H H 8.009 0.03 1 7 14 14 VAL HA H 4.128 0.03 1 8 14 14 VAL HB H 2.081 0.03 1 9 14 14 VAL HG1 H 0.917 0.03 2 10 14 14 VAL HG2 H 0.917 0.03 2 11 14 14 VAL CA C 59.473 0.03 1 12 14 14 VAL CB C 30.127 0.03 1 13 14 14 VAL N N 119.846 0.05 1 14 15 15 THR H H 8.152 0.03 1 15 15 15 THR HA H 4.346 0.03 1 16 15 15 THR HB H 4.196 0.03 1 17 15 15 THR HG2 H 1.206 0.03 1 18 15 15 THR N N 118.509 0.05 1 19 16 16 ALA H H 8.207 0.03 1 20 16 16 ALA HA H 4.319 0.03 1 21 16 16 ALA HB H 1.348 0.03 1 22 16 16 ALA CA C 49.835 0.03 1 23 16 16 ALA CB C 16.714 0.03 1 24 16 16 ALA N N 126.935 0.05 1 25 17 17 ASP H H 8.269 0.03 1 26 17 17 ASP HA H 4.581 0.03 1 27 17 17 ASP HB2 H 2.717 0.03 2 28 17 17 ASP HB3 H 2.596 0.03 2 29 17 17 ASP CA C 51.643 0.03 1 30 17 17 ASP CB C 38.257 0.03 1 31 17 17 ASP N N 120.379 0.05 1 32 18 18 ILE H H 7.979 0.03 1 33 18 18 ILE HA H 4.178 0.03 1 34 18 18 ILE HB H 1.957 0.03 1 35 18 18 ILE HG12 H 1.468 0.03 2 36 18 18 ILE HG13 H 1.468 0.03 2 37 18 18 ILE HG2 H 0.914 0.03 1 38 18 18 ILE CA C 58.737 0.03 1 39 18 18 ILE CB C 36.077 0.03 1 40 18 18 ILE CD1 C 10.684 0.03 1 41 18 18 ILE CG1 C 24.488 0.03 1 42 18 18 ILE CG2 C 15.057 0.03 1 43 18 18 ILE N N 121.171 0.05 1 44 19 19 GLY H H 8.410 0.03 1 45 19 19 GLY HA2 H 4.023 0.03 2 46 19 19 GLY HA3 H 4.023 0.03 2 47 19 19 GLY N N 112.246 0.05 1 48 20 20 THR H H 8.005 0.03 1 49 20 20 THR HA H 4.463 0.03 1 50 20 20 THR HB H 4.320 0.03 1 51 20 20 THR HG2 H 1.147 0.03 1 52 20 20 THR CB C 66.723 0.03 1 53 20 20 THR CG2 C 18.864 0.03 1 54 20 20 THR N N 112.239 0.05 1 55 21 21 GLY H H 8.500 0.03 1 56 21 21 GLY HA2 H 4.099 0.03 2 57 21 21 GLY HA3 H 3.872 0.03 2 58 21 21 GLY N N 111.048 0.05 1 59 22 22 LEU H H 7.427 0.03 1 60 22 22 LEU HA H 3.884 0.03 1 61 22 22 LEU HB2 H 1.417 0.03 2 62 22 22 LEU HB3 H 1.417 0.03 2 63 22 22 LEU HD1 H 0.741 0.03 2 64 22 22 LEU HD2 H 0.284 0.03 2 65 22 22 LEU HG H 1.092 0.03 1 66 22 22 LEU CD1 C 22.907 0.03 2 67 22 22 LEU CD2 C 20.066 0.03 2 68 22 22 LEU N N 118.837 0.05 1 69 23 23 ALA H H 7.896 0.03 1 70 23 23 ALA HA H 4.023 0.03 1 71 23 23 ALA HB H 1.474 0.03 1 72 23 23 ALA CA C 52.584 0.03 1 73 23 23 ALA CB C 15.470 0.03 1 74 23 23 ALA N N 119.194 0.05 1 75 24 24 ASP H H 8.265 0.03 1 76 24 24 ASP HA H 4.337 0.03 1 77 24 24 ASP HB2 H 2.707 0.03 2 78 24 24 ASP HB3 H 2.398 0.03 2 79 24 24 ASP CB C 37.029 0.03 1 80 24 24 ASP N N 119.035 0.05 1 81 25 25 ALA H H 8.211 0.03 1 82 25 25 ALA HA H 4.064 0.03 1 83 25 25 ALA HB H 1.528 0.03 1 84 25 25 ALA CA C 53.278 0.03 1 85 25 25 ALA CB C 15.760 0.03 1 86 25 25 ALA N N 122.434 0.05 1 87 26 26 LEU H H 7.334 0.03 1 88 26 26 LEU HA H 4.351 0.03 1 89 26 26 LEU HD1 H 0.910 0.03 2 90 26 26 LEU HD2 H 0.710 0.03 2 91 26 26 LEU HG H 1.339 0.03 1 92 26 26 LEU CD2 C 20.963 0.03 2 93 26 26 LEU N N 114.238 0.05 1 94 27 27 THR H H 7.708 0.03 1 95 27 27 THR HA H 4.492 0.03 1 96 27 27 THR HB H 4.260 0.03 1 97 27 27 THR HG2 H 1.235 0.03 1 98 27 27 THR CA C 59.438 0.03 1 99 27 27 THR CB C 68.796 0.03 1 100 27 27 THR CG2 C 19.133 0.03 1 101 27 27 THR N N 106.430 0.05 1 102 28 28 ALA H H 8.906 0.03 1 103 28 28 ALA HA H 4.812 0.03 1 104 28 28 ALA HB H 1.436 0.03 1 105 28 28 ALA CB C 16.724 0.03 1 106 28 28 ALA N N 128.420 0.05 1 107 29 29 PRO CA C 59.166 0.03 1 108 29 29 PRO CB C 29.865 0.03 1 109 29 29 PRO CD C 47.648 0.03 1 110 29 29 PRO CG C 24.674 0.03 1 111 30 30 LEU H H 8.204 0.03 1 112 30 30 LEU HA H 4.052 0.03 1 113 30 30 LEU HB2 H 1.611 0.03 2 114 30 30 LEU HB3 H 1.411 0.03 2 115 30 30 LEU HD1 H 0.829 0.03 2 116 30 30 LEU HD2 H 0.733 0.03 2 117 30 30 LEU CD1 C 22.918 0.03 2 118 30 30 LEU N N 121.970 0.05 1 119 31 31 ASP H H 8.720 0.03 1 120 31 31 ASP HA H 4.772 0.03 1 121 31 31 ASP HB2 H 2.790 0.03 2 122 31 31 ASP HB3 H 2.453 0.03 2 123 31 31 ASP CA C 50.115 0.03 1 124 31 31 ASP N N 125.105 0.05 1 125 32 32 HIS CA C 55.083 0.03 1 126 32 32 HIS CB C 25.707 0.03 1 127 33 33 LYS H H 8.589 0.03 1 128 33 33 LYS HA H 4.112 0.03 1 129 33 33 LYS HB2 H 1.708 0.03 2 130 33 33 LYS HB3 H 1.708 0.03 2 131 33 33 LYS HE2 H 2.975 0.03 2 132 33 33 LYS HE3 H 2.975 0.03 2 133 33 33 LYS HG2 H 1.158 0.03 2 134 33 33 LYS HG3 H 1.158 0.03 2 135 33 33 LYS CB C 29.218 0.03 1 136 33 33 LYS CG C 22.077 0.03 1 137 33 33 LYS N N 118.920 0.05 1 138 34 34 ASP H H 7.420 0.03 1 139 34 34 ASP HA H 4.368 0.03 1 140 34 34 ASP HB2 H 2.597 0.03 2 141 34 34 ASP HB3 H 2.451 0.03 2 142 34 34 ASP N N 120.940 0.05 1 143 35 35 LYS H H 8.266 0.03 1 144 35 35 LYS HA H 4.169 0.03 1 145 35 35 LYS HB2 H 1.692 0.03 2 146 35 35 LYS HB3 H 1.692 0.03 2 147 35 35 LYS HE2 H 2.980 0.03 2 148 35 35 LYS HE3 H 2.980 0.03 2 149 35 35 LYS HG2 H 1.528 0.03 2 150 35 35 LYS HG3 H 1.528 0.03 2 151 35 35 LYS N N 121.280 0.05 1 152 36 36 GLY H H 8.716 0.03 1 153 36 36 GLY HA2 H 3.822 0.03 2 154 36 36 GLY HA3 H 3.618 0.03 2 155 36 36 GLY N N 111.002 0.05 1 156 37 37 LEU H H 8.032 0.03 1 157 37 37 LEU HA H 4.406 0.03 1 158 37 37 LEU HB2 H 1.374 0.03 2 159 37 37 LEU HB3 H 1.374 0.03 2 160 37 37 LEU HD1 H 0.855 0.03 2 161 37 37 LEU HD2 H 0.855 0.03 2 162 37 37 LEU N N 127.683 0.05 1 163 38 38 LYS H H 9.190 0.03 1 164 38 38 LYS HA H 3.925 0.03 1 165 38 38 LYS HB2 H 1.902 0.03 2 166 38 38 LYS HB3 H 1.902 0.03 2 167 38 38 LYS HG2 H 1.144 0.03 2 168 38 38 LYS HG3 H 1.144 0.03 2 169 38 38 LYS N N 132.634 0.05 1 170 39 39 SER H H 7.161 0.03 1 171 39 39 SER HA H 5.097 0.03 1 172 39 39 SER HB2 H 3.764 0.03 2 173 39 39 SER HB3 H 3.568 0.03 2 174 39 39 SER CA C 54.451 0.03 1 175 39 39 SER N N 110.262 0.05 1 176 40 40 LEU H H 8.142 0.03 1 177 40 40 LEU HA H 4.481 0.03 1 178 40 40 LEU HD1 H 0.515 0.03 2 179 40 40 LEU HD2 H 0.515 0.03 2 180 40 40 LEU HG H 1.315 0.03 1 181 40 40 LEU CD1 C 24.142 0.03 2 182 40 40 LEU CD2 C 23.819 0.03 2 183 40 40 LEU N N 122.761 0.05 1 184 41 41 THR H H 8.641 0.03 1 185 41 41 THR HA H 4.141 0.03 1 186 41 41 THR HB H 3.964 0.03 1 187 41 41 THR HG2 H 1.058 0.03 1 188 41 41 THR CA C 60.301 0.03 1 189 41 41 THR CB C 65.862 0.03 1 190 41 41 THR CG2 C 19.312 0.03 1 191 41 41 THR N N 124.142 0.05 1 192 42 42 LEU H H 8.586 0.03 1 193 42 42 LEU HA H 4.337 0.03 1 194 42 42 LEU HB2 H 1.880 0.03 2 195 42 42 LEU HB3 H 1.880 0.03 2 196 42 42 LEU HD1 H 0.568 0.03 2 197 42 42 LEU HD2 H 0.132 0.03 2 198 42 42 LEU HG H 1.497 0.03 1 199 42 42 LEU CD1 C 20.870 0.03 2 200 42 42 LEU CD2 C 23.693 0.03 2 201 42 42 LEU N N 128.603 0.05 1 202 43 43 GLU H H 8.644 0.03 1 203 43 43 GLU HA H 4.663 0.03 1 204 43 43 GLU HB2 H 2.071 0.03 2 205 43 43 GLU HG2 H 2.235 0.03 2 206 43 43 GLU HG3 H 2.235 0.03 2 207 43 43 GLU N N 124.180 0.05 1 208 44 44 ASP H H 10.243 0.03 1 209 44 44 ASP HA H 4.518 0.03 1 210 44 44 ASP HB2 H 2.571 0.03 2 211 44 44 ASP HB3 H 2.253 0.03 2 212 44 44 ASP CA C 52.879 0.03 1 213 44 44 ASP CB C 37.711 0.03 1 214 44 44 ASP N N 124.177 0.05 1 215 45 45 SER H H 8.546 0.03 1 216 45 45 SER HA H 3.850 0.03 1 217 45 45 SER HB2 H 3.677 0.03 2 218 45 45 SER HB3 H 3.532 0.03 2 219 45 45 SER CA C 59.588 0.03 1 220 45 45 SER CB C 61.66 0.03 1 221 45 45 SER N N 116.191 0.05 1 222 46 46 ILE H H 6.902 0.03 1 223 46 46 ILE HA H 3.874 0.03 1 224 46 46 ILE HB H 1.533 0.03 1 225 46 46 ILE HD1 H 0.570 0.03 1 226 46 46 ILE HG12 H 1.166 0.03 2 227 46 46 ILE HG13 H 1.166 0.03 2 228 46 46 ILE HG2 H 0.764 0.03 1 229 46 46 ILE CA C 57.605 0.03 1 230 46 46 ILE CB C 36.694 0.03 1 231 46 46 ILE CD1 C 12.002 0.03 1 232 46 46 ILE CG2 C 15.218 0.03 1 233 46 46 ILE N N 116.189 0.05 1 234 47 47 SER H H 7.804 0.03 1 235 47 47 SER HA H 4.342 0.03 1 236 47 47 SER HB2 H 3.930 0.03 2 237 47 47 SER HB3 H 3.842 0.03 2 238 47 47 SER CA C 55.995 0.03 1 239 47 47 SER N N 118.738 0.05 1 240 48 48 GLN H H 8.522 0.03 1 241 48 48 GLN HA H 3.939 0.03 1 242 48 48 GLN HB2 H 2.020 0.03 2 243 48 48 GLN HB3 H 2.020 0.03 2 244 48 48 GLN HG2 H 2.338 0.03 2 245 48 48 GLN HG3 H 2.338 0.03 2 246 48 48 GLN CA C 55.111 0.03 1 247 48 48 GLN CG C 31.305 0.03 1 248 48 48 GLN N N 119.475 0.05 1 249 49 49 ASN H H 8.437 0.03 1 250 49 49 ASN HA H 4.693 0.03 1 251 49 49 ASN HB2 H 2.893 0.03 2 252 49 49 ASN HB3 H 2.893 0.03 2 253 49 49 ASN HD21 H 7.533 0.03 2 254 49 49 ASN HD22 H 6.871 0.03 2 255 49 49 ASN CA C 50.839 0.03 1 256 49 49 ASN CB C 35.767 0.03 1 257 49 49 ASN N N 117.233 0.05 1 258 49 49 ASN ND2 N 113.193 0.05 1 259 50 50 GLY H H 7.952 0.03 1 260 50 50 GLY HA2 H 4.518 0.03 2 261 50 50 GLY HA3 H 4.054 0.03 2 262 50 50 GLY CA C 41.883 0.03 1 263 50 50 GLY N N 108.751 0.05 1 264 51 51 THR H H 8.548 0.03 1 265 51 51 THR HA H 5.012 0.03 1 266 51 51 THR HB H 3.926 0.03 1 267 51 51 THR HG2 H 0.995 0.03 1 268 51 51 THR CA C 57.026 0.03 1 269 51 51 THR CB C 69.887 0.03 1 270 51 51 THR CG2 C 19.055 0.03 1 271 51 51 THR N N 108.710 0.05 1 272 52 52 LEU H H 9.110 0.03 1 273 52 52 LEU HA H 5.183 0.03 1 274 52 52 LEU HD1 H 0.566 0.03 2 275 52 52 LEU HD2 H 0.129 0.03 2 276 52 52 LEU HG H 1.027 0.03 1 277 52 52 LEU CA C 50.822 0.03 1 278 52 52 LEU CD1 C 22.303 0.03 2 279 52 52 LEU N N 124.606 0.05 1 280 53 53 THR H H 9.312 0.03 1 281 53 53 THR HA H 5.288 0.03 1 282 53 53 THR HB H 3.935 0.03 1 283 53 53 THR HG2 H 1.003 0.03 1 284 53 53 THR CA C 59.535 0.03 1 285 53 53 THR CB C 66.838 0.03 1 286 53 53 THR CG2 C 18.451 0.03 1 287 53 53 THR N N 125.445 0.05 1 288 54 54 LEU H H 8.992 0.03 1 289 54 54 LEU HA H 5.563 0.03 1 290 54 54 LEU HD1 H 0.100 0.03 2 291 54 54 LEU HD2 H -0.279 0.03 2 292 54 54 LEU HG H 1.202 0.03 1 293 54 54 LEU CD1 C 20.917 0.03 2 294 54 54 LEU CD2 C 21.833 0.03 2 295 54 54 LEU N N 128.814 0.05 1 296 55 55 SER H H 9.017 0.03 1 297 55 55 SER HA H 5.476 0.03 1 298 55 55 SER HB2 H 3.847 0.03 2 299 55 55 SER HB3 H 3.847 0.03 2 300 55 55 SER CA C 53.944 0.03 1 301 55 55 SER CB C 63.384 0.03 1 302 55 55 SER N N 112.964 0.05 1 303 56 56 ALA H H 8.324 0.03 1 304 56 56 ALA HA H 4.605 0.03 1 305 56 56 ALA HB H 1.523 0.03 1 306 56 56 ALA CA C 50.743 0.03 1 307 56 56 ALA CB C 21.372 0.03 1 308 56 56 ALA N N 123.555 0.05 1 309 57 57 GLN H H 9.080 0.03 1 310 57 57 GLN HA H 3.884 0.03 1 311 57 57 GLN HB2 H 2.335 0.03 2 312 57 57 GLN HB3 H 2.014 0.03 2 313 57 57 GLN HE21 H 7.486 0.03 2 314 57 57 GLN HE22 H 6.842 0.03 2 315 57 57 GLN HG2 H 2.438 0.03 2 316 57 57 GLN HG3 H 2.104 0.03 2 317 57 57 GLN CA C 53.331 0.03 1 318 57 57 GLN CB C 24.659 0.03 1 319 57 57 GLN CG C 32.155 0.03 1 320 57 57 GLN N N 116.815 0.05 1 321 57 57 GLN NE2 N 112.177 0.05 1 322 58 58 GLY H H 8.527 0.03 1 323 58 58 GLY HA2 H 4.168 0.03 2 324 58 58 GLY HA3 H 3.608 0.03 2 325 58 58 GLY CA C 42.856 0.03 1 326 58 58 GLY N N 105.983 0.05 1 327 59 59 ALA H H 8.203 0.03 1 328 59 59 ALA HA H 4.811 0.03 1 329 59 59 ALA HB H 1.496 0.03 1 330 59 59 ALA CA C 47.662 0.03 1 331 59 59 ALA CB C 20.147 0.03 1 332 59 59 ALA N N 125.153 0.05 1 333 60 60 GLU H H 8.154 0.03 1 334 60 60 GLU HA H 5.508 0.03 1 335 60 60 GLU HB3 H 1.820 0.03 2 336 60 60 GLU HG2 H 2.134 0.03 2 337 60 60 GLU HG3 H 2.134 0.03 2 338 60 60 GLU CA C 52.179 0.03 1 339 60 60 GLU CB C 30.203 0.03 1 340 60 60 GLU N N 117.318 0.05 1 341 61 61 LYS H H 8.821 0.03 1 342 61 61 LYS HA H 4.311 0.03 1 343 61 61 LYS HD2 H 1.515 0.03 2 344 61 61 LYS HG2 H 0.918 0.03 2 345 61 61 LYS HG3 H 0.709 0.03 2 346 61 61 LYS CE C 39.798 0.03 1 347 61 61 LYS N N 123.743 0.05 1 348 62 62 THR H H 8.149 0.03 1 349 62 62 THR HA H 4.928 0.03 1 350 62 62 THR HB H 3.735 0.03 1 351 62 62 THR HG2 H 1.092 0.03 1 352 62 62 THR CA C 59.427 0.03 1 353 62 62 THR CB C 66.932 0.03 1 354 62 62 THR N N 122.829 0.05 1 355 63 63 TYR H H 9.466 0.03 1 356 63 63 TYR HA H 4.606 0.03 1 357 63 63 TYR HB2 H 2.799 0.03 2 358 63 63 TYR HB3 H 2.630 0.03 2 359 63 63 TYR HD1 H 6.819 0.03 3 360 63 63 TYR HD2 H 6.819 0.03 3 361 63 63 TYR HE1 H 6.496 0.03 3 362 63 63 TYR HE2 H 6.496 0.03 3 363 63 63 TYR CA C 54.508 0.03 1 364 63 63 TYR N N 127.472 0.05 1 365 64 64 GLY H H 9.253 0.03 1 366 64 64 GLY HA2 H 4.670 0.03 2 367 64 64 GLY HA3 H 3.619 0.03 2 368 64 64 GLY CA C 39.885 0.03 1 369 64 64 GLY N N 110.182 0.05 1 370 65 65 ASN H H 8.616 0.03 1 371 65 65 ASN HA H 4.109 0.03 1 372 65 65 ASN HB2 H 2.626 0.03 2 373 65 65 ASN HB3 H 2.626 0.03 2 374 65 65 ASN HD21 H 7.544 0.03 2 375 65 65 ASN HD22 H 6.878 0.03 2 376 65 65 ASN CA C 53.691 0.03 1 377 65 65 ASN N N 117.778 0.05 1 378 65 65 ASN ND2 N 114.096 0.05 1 379 66 66 GLY H H 9.053 0.03 1 380 66 66 GLY HA2 H 4.344 0.03 2 381 66 66 GLY HA3 H 3.359 0.03 2 382 66 66 GLY CA C 42.431 0.03 1 383 66 66 GLY N N 115.232 0.05 1 384 67 67 ASP H H 8.120 0.03 1 385 67 67 ASP HA H 4.844 0.03 1 386 67 67 ASP HB2 H 3.221 0.03 2 387 67 67 ASP HB3 H 2.994 0.03 2 388 67 67 ASP N N 122.593 0.05 1 389 68 68 SER H H 8.500 0.03 1 390 68 68 SER HA H 5.088 0.03 1 391 68 68 SER HB2 H 3.673 0.03 2 392 68 68 SER HB3 H 3.572 0.03 2 393 68 68 SER CA C 54.858 0.03 1 394 68 68 SER CB C 62.114 0.03 1 395 68 68 SER N N 113.557 0.05 1 396 69 69 LEU H H 8.989 0.03 1 397 69 69 LEU HA H 4.570 0.03 1 398 69 69 LEU HB2 H 1.660 0.03 2 399 69 69 LEU HB3 H 1.660 0.03 2 400 69 69 LEU HD1 H 0.477 0.03 2 401 69 69 LEU HG H 1.150 0.03 1 402 69 69 LEU CD1 C 20.204 0.03 2 403 69 69 LEU CD2 C 20.309 0.03 2 404 69 69 LEU N N 126.836 0.05 1 405 70 70 ASN H H 8.491 0.03 1 406 70 70 ASN HA H 4.958 0.03 1 407 70 70 ASN HB2 H 3.697 0.03 2 408 70 70 ASN HB3 H 2.794 0.03 2 409 70 70 ASN CB C 33.265 0.03 1 410 70 70 ASN N N 126.343 0.05 1 411 71 71 THR H H 7.831 0.03 1 412 71 71 THR HA H 3.759 0.03 1 413 71 71 THR HB H 3.965 0.03 1 414 71 71 THR HG2 H 0.884 0.03 1 415 71 71 THR CA C 61.005 0.03 1 416 71 71 THR N N 114.742 0.05 1 417 72 72 GLY H H 8.880 0.03 1 418 72 72 GLY HA2 H 3.907 0.03 2 419 72 72 GLY HA3 H 3.907 0.03 2 420 72 72 GLY N N 114.976 0.05 1 421 73 73 LYS H H 6.604 0.03 1 422 73 73 LYS HA H 4.160 0.03 1 423 73 73 LYS HD2 H 1.621 0.03 2 424 73 73 LYS HD3 H 1.621 0.03 2 425 73 73 LYS HE2 H 2.802 0.03 2 426 73 73 LYS HE3 H 2.802 0.03 2 427 73 73 LYS HG2 H 1.493 0.03 2 428 73 73 LYS HG3 H 1.322 0.03 2 429 73 73 LYS N N 113.898 0.05 1 430 74 74 LEU H H 7.422 0.03 1 431 74 74 LEU HA H 4.358 0.03 1 432 74 74 LEU HB2 H 1.639 0.03 2 433 74 74 LEU HB3 H 1.639 0.03 2 434 74 74 LEU HD1 H 0.881 0.03 2 435 74 74 LEU HD2 H 0.654 0.03 2 436 74 74 LEU HG H 1.490 0.03 1 437 74 74 LEU N N 117.180 0.05 1 438 75 75 LYS H H 8.617 0.03 1 439 75 75 LYS HA H 4.079 0.03 1 440 75 75 LYS HB2 H 1.724 0.03 2 441 75 75 LYS HB3 H 1.724 0.03 2 442 75 75 LYS N N 121.119 0.05 1 443 76 76 ASN H H 8.154 0.03 1 444 76 76 ASN HA H 3.935 0.03 1 445 76 76 ASN HB2 H 2.537 0.03 2 446 76 76 ASN HB3 H 2.288 0.03 2 447 76 76 ASN HD21 H 7.481 0.03 2 448 76 76 ASN HD22 H 7.481 0.03 2 449 76 76 ASN CB C 35.772 0.03 1 450 76 76 ASN N N 122.761 0.05 1 451 77 77 ASP H H 9.227 0.03 1 452 77 77 ASP HA H 3.787 0.03 1 453 77 77 ASP HB2 H 2.950 0.03 2 454 77 77 ASP HB3 H 2.838 0.03 2 455 77 77 ASP CA C 52.584 0.03 1 456 77 77 ASP N N 114.129 0.05 1 457 78 78 LYS H H 6.579 0.03 1 458 78 78 LYS HA H 4.572 0.03 1 459 78 78 LYS HB2 H 1.202 0.03 2 460 78 78 LYS HB3 H 1.202 0.03 2 461 78 78 LYS HG2 H 1.607 0.03 2 462 78 78 LYS HG3 H 1.379 0.03 2 463 78 78 LYS CA C 51.072 0.03 1 464 78 78 LYS CB C 33.783 0.03 1 465 78 78 LYS N N 114.135 0.05 1 466 79 79 VAL H H 8.729 0.03 1 467 79 79 VAL HA H 4.402 0.03 1 468 79 79 VAL HB H 1.853 0.03 1 469 79 79 VAL HG1 H 0.565 0.03 2 470 79 79 VAL HG2 H 0.565 0.03 2 471 79 79 VAL CA C 59.24 0.03 1 472 79 79 VAL CG2 C 18.932 0.03 2 473 79 79 VAL N N 123.191 0.05 1 474 80 80 SER H H 9.542 0.03 1 475 80 80 SER HA H 4.636 0.03 1 476 80 80 SER HB2 H 3.684 0.03 2 477 80 80 SER HB3 H 3.446 0.03 2 478 80 80 SER CA C 55.978 0.03 1 479 80 80 SER N N 127.445 0.05 1 480 81 81 ARG H H 8.093 0.03 1 481 81 81 ARG HA H 5.210 0.03 1 482 81 81 ARG HB2 H 1.644 0.03 2 483 81 81 ARG HB3 H 1.521 0.03 2 484 81 81 ARG HD2 H 3.001 0.03 2 485 81 81 ARG HD3 H 3.001 0.03 2 486 81 81 ARG HE H 7.185 0.03 1 487 81 81 ARG HG2 H 1.376 0.03 2 488 81 81 ARG HG3 H 1.376 0.03 2 489 81 81 ARG N N 123.743 0.05 1 490 81 81 ARG NE N 122.311 0.05 1 491 82 82 PHE H H 9.312 0.03 1 492 82 82 PHE HA H 4.951 0.03 1 493 82 82 PHE HB2 H 3.383 0.03 2 494 82 82 PHE HB3 H 3.015 0.03 2 495 82 82 PHE HD1 H 7.196 0.03 3 496 82 82 PHE HD2 H 7.196 0.03 3 497 82 82 PHE CA C 53.09 0.03 1 498 82 82 PHE N N 119.529 0.05 1 499 83 83 ASP H H 9.122 0.03 1 500 83 83 ASP HA H 5.593 0.03 1 501 83 83 ASP HB2 H 2.894 0.03 2 502 83 83 ASP HB3 H 2.894 0.03 2 503 83 83 ASP N N 123.825 0.05 1 504 84 84 PHE H H 9.090 0.03 1 505 84 84 PHE HA H 6.410 0.03 1 506 84 84 PHE HB2 H 2.911 0.03 2 507 84 84 PHE HB3 H 2.911 0.03 2 508 84 84 PHE HD1 H 6.859 0.03 3 509 84 84 PHE HD2 H 6.859 0.03 3 510 84 84 PHE HE1 H 7.043 0.03 3 511 84 84 PHE HE2 H 7.043 0.03 3 512 84 84 PHE CA C 52.584 0.03 1 513 84 84 PHE N N 118.862 0.05 1 514 85 85 ILE H H 8.441 0.03 1 515 85 85 ILE HA H 4.662 0.03 1 516 85 85 ILE HB H 1.697 0.03 1 517 85 85 ILE HD1 H 0.746 0.03 1 518 85 85 ILE HG12 H 1.523 0.03 2 519 85 85 ILE HG13 H 1.523 0.03 2 520 85 85 ILE HG2 H 0.980 0.03 1 521 85 85 ILE CB C 39.939 0.03 1 522 85 85 ILE CD1 C 10.804 0.03 1 523 85 85 ILE CG2 C 15.556 0.03 1 524 85 85 ILE N N 118.049 0.05 1 525 86 86 ARG H H 8.983 0.03 1 526 86 86 ARG HA H 5.591 0.03 1 527 86 86 ARG HB2 H 0.926 0.03 2 528 86 86 ARG HB3 H 0.926 0.03 2 529 86 86 ARG HE H 8.001 0.03 1 530 86 86 ARG HG2 H 1.666 0.03 2 531 86 86 ARG HG3 H 1.666 0.03 2 532 86 86 ARG N N 127.006 0.05 1 533 86 86 ARG NE N 119.511 0.05 1 534 87 87 GLN H H 8.643 0.03 1 535 87 87 GLN HA H 5.630 0.03 1 536 87 87 GLN HB2 H 1.840 0.03 2 537 87 87 GLN HB3 H 1.840 0.03 2 538 87 87 GLN HE21 H 7.225 0.03 2 539 87 87 GLN HE22 H 6.793 0.03 2 540 87 87 GLN HG2 H 2.199 0.03 2 541 87 87 GLN HG3 H 2.026 0.03 2 542 87 87 GLN CA C 51.512 0.03 1 543 87 87 GLN N N 124.142 0.05 1 544 87 87 GLN NE2 N 113.549 0.05 1 545 88 88 ILE H H 8.617 0.03 1 546 88 88 ILE HA H 4.690 0.03 1 547 88 88 ILE HB H 1.844 0.03 1 548 88 88 ILE HG12 H 1.377 0.03 2 549 88 88 ILE HG13 H 1.377 0.03 2 550 88 88 ILE HG2 H 0.838 0.03 1 551 88 88 ILE CA C 56.995 0.03 1 552 88 88 ILE CB C 39.927 0.03 1 553 88 88 ILE CD1 C 11.622 0.03 1 554 88 88 ILE CG2 C 14.968 0.03 1 555 88 88 ILE N N 116.353 0.05 1 556 89 89 GLU H H 8.298 0.03 1 557 89 89 GLU HA H 5.100 0.03 1 558 89 89 GLU HB2 H 1.931 0.03 2 559 89 89 GLU HB3 H 1.757 0.03 2 560 89 89 GLU CA C 52.204 0.03 1 561 89 89 GLU CB C 27.325 0.03 1 562 89 89 GLU N N 124.458 0.05 1 563 90 90 VAL H H 8.957 0.03 1 564 90 90 VAL HA H 4.169 0.03 1 565 90 90 VAL HB H 1.896 0.03 1 566 90 90 VAL HG1 H 0.853 0.03 2 567 90 90 VAL HG2 H 0.853 0.03 2 568 90 90 VAL CA C 58.664 0.03 1 569 90 90 VAL CB C 31.861 0.03 1 570 90 90 VAL N N 127.580 0.05 1 571 91 91 ASP H H 9.369 0.03 1 572 91 91 ASP HA H 4.287 0.03 1 573 91 91 ASP HB2 H 3.005 0.03 2 574 91 91 ASP HB3 H 2.628 0.03 2 575 91 91 ASP CA C 52.389 0.03 1 576 91 91 ASP CB C 36.409 0.03 1 577 91 91 ASP N N 129.411 0.05 1 578 92 92 GLY H H 8.552 0.03 1 579 92 92 GLY HA2 H 4.090 0.03 2 580 92 92 GLY HA3 H 3.618 0.03 2 581 92 92 GLY CA C 42.836 0.03 1 582 92 92 GLY N N 103.862 0.05 1 583 93 93 GLN H H 7.808 0.03 1 584 93 93 GLN HA H 4.578 0.03 1 585 93 93 GLN HB2 H 2.040 0.03 2 586 93 93 GLN HB3 H 1.955 0.03 2 587 93 93 GLN HG2 H 2.256 0.03 2 588 93 93 GLN HG3 H 2.256 0.03 2 589 93 93 GLN CA C 50.918 0.03 1 590 93 93 GLN CB C 28.602 0.03 1 591 93 93 GLN CG C 30.856 0.03 1 592 93 93 GLN N N 120.412 0.05 1 593 94 94 LEU H H 8.414 0.03 1 594 94 94 LEU HA H 4.704 0.03 1 595 94 94 LEU HB2 H 1.521 0.03 2 596 94 94 LEU HB3 H 1.323 0.03 2 597 94 94 LEU HD1 H 0.714 0.03 2 598 94 94 LEU HD2 H 0.714 0.03 2 599 94 94 LEU CB C 39.873 0.03 1 600 94 94 LEU CD1 C 21.974 0.03 2 601 94 94 LEU CD2 C 21.430 0.03 2 602 94 94 LEU N N 125.061 0.05 1 603 95 95 ILE H H 9.181 0.03 1 604 95 95 ILE HA H 4.371 0.03 1 605 95 95 ILE HB H 1.843 0.03 1 606 95 95 ILE HD1 H 0.738 0.03 1 607 95 95 ILE HG12 H 1.376 0.03 2 608 95 95 ILE HG13 H 1.204 0.03 2 609 95 95 ILE HG2 H 0.820 0.03 1 610 95 95 ILE CA C 63.319 0.03 1 611 95 95 ILE CB C 37.407 0.03 1 612 95 95 ILE CG2 C 14.917 0.03 1 613 95 95 ILE N N 127.724 0.05 1 614 96 96 THR H H 8.730 0.03 1 615 96 96 THR HA H 4.411 0.03 1 616 96 96 THR HB H 4.086 0.03 1 617 96 96 THR HG2 H 1.161 0.03 1 618 96 96 THR CA C 60.344 0.03 1 619 96 96 THR CB C 59.719 0.03 1 620 96 96 THR N N 124.240 0.05 1 621 97 97 LEU H H 8.790 0.03 1 622 97 97 LEU HA H 4.400 0.03 1 623 97 97 LEU HB2 H 1.610 0.03 2 624 97 97 LEU HB3 H 1.610 0.03 2 625 97 97 LEU HD1 H 0.808 0.03 2 626 97 97 LEU HD2 H 0.808 0.03 2 627 97 97 LEU HG H 1.440 0.03 1 628 97 97 LEU N N 126.147 0.05 1 629 98 98 GLU H H 7.596 0.03 1 630 98 98 GLU HA H 5.102 0.03 1 631 98 98 GLU HB2 H 2.249 0.03 2 632 98 98 GLU HB3 H 2.249 0.03 2 633 98 98 GLU HG2 H 2.513 0.03 2 634 98 98 GLU HG3 H 2.513 0.03 2 635 98 98 GLU N N 116.937 0.05 1 636 99 99 SER H H 8.906 0.03 1 637 99 99 SER HA H 4.504 0.03 1 638 99 99 SER HB2 H 3.997 0.03 2 639 99 99 SER HB3 H 3.567 0.03 2 640 99 99 SER CA C 54.01 0.03 1 641 99 99 SER CB C 63.876 0.03 1 642 99 99 SER N N 117.823 0.05 1 643 100 100 GLY H H 7.250 0.03 1 644 100 100 GLY HA2 H 4.872 0.03 2 645 100 100 GLY HA3 H 3.731 0.03 2 646 100 100 GLY N N 109.436 0.05 1 647 101 101 GLU H H 9.661 0.03 1 648 101 101 GLU HA H 5.643 0.03 1 649 101 101 GLU HB2 H 2.334 0.03 2 650 101 101 GLU HB3 H 2.334 0.03 2 651 101 101 GLU HG2 H 2.571 0.03 2 652 101 101 GLU HG3 H 2.571 0.03 2 653 101 101 GLU CA C 52.584 0.03 1 654 101 101 GLU CB C 31.750 0.03 1 655 101 101 GLU N N 126.793 0.05 1 656 102 102 PHE H H 10.441 0.03 1 657 102 102 PHE HA H 5.248 0.03 1 658 102 102 PHE HB2 H 3.210 0.03 2 659 102 102 PHE HB3 H 2.833 0.03 2 660 102 102 PHE HD1 H 6.868 0.03 3 661 102 102 PHE HD2 H 6.868 0.03 3 662 102 102 PHE HE1 H 6.691 0.03 3 663 102 102 PHE HE2 H 6.691 0.03 3 664 102 102 PHE CA C 53.537 0.03 1 665 102 102 PHE N N 131.837 0.05 1 666 103 103 GLN H H 9.135 0.03 1 667 103 103 GLN HA H 5.205 0.03 1 668 103 103 GLN HB2 H 2.136 0.03 2 669 103 103 GLN HB3 H 2.136 0.03 2 670 103 103 GLN HG2 H 2.312 0.03 2 671 103 103 GLN HG3 H 2.312 0.03 2 672 103 103 GLN CA C 50.925 0.03 1 673 103 103 GLN N N 127.720 0.05 1 674 104 104 VAL H H 8.937 0.03 1 675 104 104 VAL HA H 4.780 0.03 1 676 104 104 VAL HB H 1.834 0.03 1 677 104 104 VAL HG1 H 0.814 0.03 2 678 104 104 VAL HG2 H 0.543 0.03 2 679 104 104 VAL CA C 57.086 0.03 1 680 104 104 VAL CG2 C 17.706 0.03 2 681 104 104 VAL N N 120.097 0.05 1 682 105 105 TYR H H 9.108 0.03 1 683 105 105 TYR HA H 4.834 0.03 1 684 105 105 TYR HB2 H 2.890 0.03 2 685 105 105 TYR HB3 H 2.890 0.03 2 686 105 105 TYR HD1 H 6.834 0.03 3 687 105 105 TYR HD2 H 6.834 0.03 3 688 105 105 TYR HE1 H 6.469 0.03 3 689 105 105 TYR HE2 H 6.469 0.03 3 690 105 105 TYR CA C 54.486 0.03 1 691 105 105 TYR N N 128.426 0.05 1 692 106 106 LYS H H 5.945 0.03 1 693 106 106 LYS HB2 H 1.748 0.03 2 694 106 106 LYS HB3 H 1.748 0.03 2 695 106 106 LYS HG2 H 1.324 0.03 2 696 106 106 LYS HG3 H 1.324 0.03 2 697 106 106 LYS N N 129.163 0.05 1 698 107 107 GLN H H 8.526 0.03 1 699 107 107 GLN HA H 5.160 0.03 1 700 107 107 GLN HB2 H 2.248 0.03 2 701 107 107 GLN HB3 H 2.248 0.03 2 702 107 107 GLN HG2 H 2.353 0.03 2 703 107 107 GLN HG3 H 2.353 0.03 2 704 107 107 GLN CA C 52.584 0.03 1 705 107 107 GLN CB C 26.175 0.03 1 706 107 107 GLN N N 125.978 0.05 1 707 108 108 SER H H 8.621 0.03 1 708 108 108 SER HA H 4.403 0.03 1 709 108 108 SER HB2 H 3.798 0.03 2 710 108 108 SER HB3 H 3.241 0.03 2 711 108 108 SER CA C 58.521 0.03 1 712 108 108 SER CB C 60.737 0.03 1 713 108 108 SER N N 117.542 0.05 1 714 109 109 HIS H H 10.381 0.03 1 715 109 109 HIS HA H 4.594 0.03 1 716 109 109 HIS HB2 H 3.556 0.03 2 717 109 109 HIS HB3 H 2.568 0.03 2 718 109 109 HIS HD2 H 6.927 0.03 1 719 109 109 HIS HE1 H 8.784 0.03 1 720 109 109 HIS CA C 51.743 0.03 1 721 109 109 HIS CB C 27.174 0.03 1 722 109 109 HIS N N 118.449 0.05 1 723 110 110 SER H H 7.366 0.03 1 724 110 110 SER HA H 4.870 0.03 1 725 110 110 SER HB2 H 2.926 0.03 2 726 110 110 SER HB3 H 2.232 0.03 2 727 110 110 SER CB C 62.986 0.03 1 728 110 110 SER N N 113.397 0.05 1 729 111 111 ALA H H 8.541 0.03 1 730 111 111 ALA HA H 4.826 0.03 1 731 111 111 ALA HB H 1.243 0.03 1 732 111 111 ALA CA C 49.015 0.03 1 733 111 111 ALA CB C 20.256 0.03 1 734 111 111 ALA N N 117.786 0.05 1 735 112 112 LEU H H 8.529 0.03 1 736 112 112 LEU HA H 5.680 0.03 1 737 112 112 LEU HB2 H 1.848 0.03 2 738 112 112 LEU HB3 H 1.848 0.03 2 739 112 112 LEU HD1 H 1.066 0.03 2 740 112 112 LEU HD2 H 1.066 0.03 2 741 112 112 LEU CA C 51.818 0.03 1 742 112 112 LEU N N 116.345 0.05 1 743 113 113 THR H H 8.758 0.03 1 744 113 113 THR HA H 5.563 0.03 1 745 113 113 THR HB H 3.502 0.03 1 746 113 113 THR HG2 H 0.951 0.03 1 747 113 113 THR CA C 54.458 0.03 1 748 113 113 THR CB C 68.586 0.03 1 749 113 113 THR CG2 C 21.073 0.03 1 750 113 113 THR N N 110.469 0.05 1 751 114 114 ALA H H 8.829 0.03 1 752 114 114 ALA HA H 4.466 0.03 1 753 114 114 ALA HB H 1.002 0.03 1 754 114 114 ALA CA C 48.886 0.03 1 755 114 114 ALA CB C 21.583 0.03 1 756 114 114 ALA N N 121.456 0.05 1 757 115 115 LEU H H 8.407 0.03 1 758 115 115 LEU HA H 4.814 0.03 1 759 115 115 LEU HD1 H 0.475 0.03 2 760 115 115 LEU HD2 H 0.131 0.03 2 761 115 115 LEU HG H 1.200 0.03 1 762 115 115 LEU CD1 C 22.683 0.03 2 763 115 115 LEU CD2 C 23.035 0.03 2 764 115 115 LEU N N 119.223 0.05 1 765 116 116 GLN H H 9.720 0.03 1 766 116 116 GLN HA H 5.312 0.03 1 767 116 116 GLN HB2 H 2.326 0.03 2 768 116 116 GLN HB3 H 2.326 0.03 2 769 116 116 GLN HG2 H 2.739 0.03 2 770 116 116 GLN HG3 H 2.544 0.03 2 771 116 116 GLN CA C 50.544 0.03 1 772 116 116 GLN N N 127.827 0.05 1 773 117 117 THR H H 9.663 0.03 1 774 117 117 THR HA H 4.198 0.03 1 775 117 117 THR HB H 4.057 0.03 1 776 117 117 THR HG2 H 1.674 0.03 1 777 117 117 THR CA C 64.037 0.03 1 778 117 117 THR CB C 66.868 0.03 1 779 117 117 THR CG2 C 20.213 0.03 1 780 117 117 THR N N 128.929 0.05 1 781 118 118 GLU H H 9.486 0.03 1 782 118 118 GLU HA H 4.885 0.03 1 783 118 118 GLU HB2 H 1.644 0.03 2 784 118 118 GLU HB3 H 1.644 0.03 2 785 118 118 GLU HG2 H 2.248 0.03 2 786 118 118 GLU HG3 H 2.248 0.03 2 787 118 118 GLU N N 123.497 0.05 1 788 119 119 GLN H H 8.076 0.03 1 789 119 119 GLN HA H 5.331 0.03 1 790 119 119 GLN HB2 H 2.038 0.03 2 791 119 119 GLN HB3 H 2.038 0.03 2 792 119 119 GLN CA C 51.858 0.03 1 793 119 119 GLN N N 118.023 0.05 1 794 120 120 GLU H H 9.078 0.03 1 795 120 120 GLU HA H 5.071 0.03 1 796 120 120 GLU HB2 H 1.960 0.03 2 797 120 120 GLU HB3 H 1.960 0.03 2 798 120 120 GLU HG2 H 2.320 0.03 2 799 120 120 GLU HG3 H 2.320 0.03 2 800 120 120 GLU N N 118.433 0.05 1 801 121 121 GLN H H 7.711 0.03 1 802 121 121 GLN HA H 4.430 0.03 1 803 121 121 GLN HB2 H 2.165 0.03 2 804 121 121 GLN HB3 H 2.022 0.03 2 805 121 121 GLN HE21 H 7.682 0.03 2 806 121 121 GLN HE22 H 6.463 0.03 2 807 121 121 GLN HG2 H 2.493 0.03 2 808 121 121 GLN HG3 H 2.261 0.03 2 809 121 121 GLN CA C 53.996 0.03 1 810 121 121 GLN CB C 27.158 0.03 1 811 121 121 GLN CG C 31.209 0.03 1 812 121 121 GLN N N 122.412 0.05 1 813 121 121 GLN NE2 N 112.176 0.05 1 814 122 122 ASP H H 8.675 0.03 1 815 122 122 ASP HA H 4.632 0.03 1 816 122 122 ASP HB2 H 3.443 0.03 2 817 122 122 ASP HB3 H 2.334 0.03 2 818 122 122 ASP CA C 48.797 0.03 1 819 122 122 ASP CB C 39.852 0.03 1 820 122 122 ASP N N 128.625 0.05 1 821 123 123 PRO CA C 61.579 0.03 1 822 123 123 PRO CB C 29.597 0.03 1 823 123 123 PRO CG C 24.674 0.03 1 824 124 124 GLU H H 8.297 0.03 1 825 124 124 GLU HA H 4.196 0.03 1 826 124 124 GLU HB2 H 1.715 0.03 2 827 124 124 GLU HB3 H 1.715 0.03 2 828 124 124 GLU HG2 H 2.165 0.03 2 829 124 124 GLU HG3 H 2.012 0.03 2 830 124 124 GLU CA C 53.025 0.03 1 831 124 124 GLU CB C 27.927 0.03 1 832 124 124 GLU CG C 33.164 0.03 1 833 124 124 GLU N N 115.538 0.05 1 834 125 125 HIS H H 7.419 0.03 1 835 125 125 HIS HA H 4.833 0.03 1 836 125 125 HIS HB2 H 3.195 0.03 2 837 125 125 HIS HB3 H 2.978 0.03 2 838 125 125 HIS HD2 H 6.458 0.03 1 839 125 125 HIS HE1 H 8.643 0.03 1 840 125 125 HIS CA C 51.886 0.03 1 841 125 125 HIS CB C 26.387 0.03 1 842 125 125 HIS N N 117.464 0.05 1 843 126 126 SER H H 8.441 0.03 1 844 126 126 SER HA H 4.261 0.03 1 845 126 126 SER HB2 H 3.887 0.03 2 846 126 126 SER HB3 H 3.887 0.03 2 847 126 126 SER CA C 57.988 0.03 1 848 126 126 SER N N 117.954 0.05 1 849 127 127 GLU H H 9.221 0.03 1 850 127 127 GLU HA H 4.366 0.03 1 851 127 127 GLU HB2 H 2.197 0.03 2 852 127 127 GLU HB3 H 2.113 0.03 2 853 127 127 GLU HG2 H 2.408 0.03 2 854 127 127 GLU HG3 H 2.408 0.03 2 855 127 127 GLU CA C 53.707 0.03 1 856 127 127 GLU CB C 25.492 0.03 1 857 127 127 GLU N N 120.404 0.05 1 858 128 128 LYS H H 8.262 0.03 1 859 128 128 LYS HA H 4.661 0.03 1 860 128 128 LYS HB2 H 1.899 0.03 2 861 128 128 LYS HB3 H 1.899 0.03 2 862 128 128 LYS HD2 H 1.580 0.03 2 863 128 128 LYS HD3 H 1.580 0.03 2 864 128 128 LYS HG2 H 1.379 0.03 2 865 128 128 LYS HG3 H 1.379 0.03 2 866 128 128 LYS CA C 52.264 0.03 1 867 128 128 LYS CB C 32.404 0.03 1 868 128 128 LYS CD C 24.606 0.03 1 869 128 128 LYS CG C 22.118 0.03 1 870 128 128 LYS N N 122.166 0.05 1 871 129 129 MET H H 8.242 0.03 1 872 129 129 MET HA H 5.012 0.03 1 873 129 129 MET HB2 H 1.901 0.03 2 874 129 129 MET HB3 H 1.901 0.03 2 875 129 129 MET HG2 H 2.510 0.03 2 876 129 129 MET HG3 H 2.307 0.03 2 877 129 129 MET CA C 50.958 0.03 1 878 129 129 MET CG C 29.684 0.03 1 879 129 129 MET N N 119.422 0.05 1 880 130 130 VAL H H 9.200 0.03 1 881 130 130 VAL HA H 4.609 0.03 1 882 130 130 VAL HB H 2.124 0.03 1 883 130 130 VAL HG1 H 0.917 0.03 2 884 130 130 VAL HG2 H 0.917 0.03 2 885 130 130 VAL CA C 56.296 0.03 1 886 130 130 VAL CB C 32.606 0.03 1 887 130 130 VAL N N 118.290 0.05 1 888 131 131 ALA H H 8.368 0.03 1 889 131 131 ALA HA H 4.654 0.03 1 890 131 131 ALA HB H 1.378 0.03 1 891 131 131 ALA CA C 49.739 0.03 1 892 131 131 ALA CB C 15.351 0.03 1 893 131 131 ALA N N 126.734 0.05 1 894 132 132 LYS H H 7.732 0.03 1 895 132 132 LYS HA H 4.171 0.03 1 896 132 132 LYS HB2 H 1.646 0.03 2 897 132 132 LYS HB3 H 1.646 0.03 2 898 132 132 LYS N N 127.309 0.05 1 899 133 133 ARG H H 8.193 0.03 1 900 133 133 ARG HA H 5.073 0.03 1 901 133 133 ARG HB2 H 1.732 0.03 2 902 133 133 ARG HB3 H 1.732 0.03 2 903 133 133 ARG HD2 H 3.316 0.03 2 904 133 133 ARG HD3 H 3.092 0.03 2 905 133 133 ARG HE H 8.034 0.03 1 906 133 133 ARG HG2 H 1.483 0.03 2 907 133 133 ARG HG3 H 1.483 0.03 2 908 133 133 ARG N N 122.190 0.05 1 909 133 133 ARG NE N 122.220 0.05 1 910 134 134 ARG H H 7.539 0.03 1 911 134 134 ARG HA H 4.667 0.03 1 912 134 134 ARG HB2 H 1.929 0.03 2 913 134 134 ARG HB3 H 1.728 0.03 2 914 134 134 ARG HD2 H 3.142 0.03 2 915 134 134 ARG HD3 H 3.142 0.03 2 916 134 134 ARG HE H 7.658 0.03 1 917 134 134 ARG HG2 H 1.502 0.03 2 918 134 134 ARG HG3 H 1.502 0.03 2 919 134 134 ARG CA C 52.584 0.03 1 920 134 134 ARG CB C 31.325 0.03 1 921 134 134 ARG CD C 40.977 0.03 1 922 134 134 ARG N N 121.632 0.05 1 923 134 134 ARG NE N 122.256 0.05 1 924 135 135 PHE H H 8.816 0.03 1 925 135 135 PHE HA H 5.680 0.03 1 926 135 135 PHE HB2 H 3.242 0.03 2 927 135 135 PHE HB3 H 3.033 0.03 2 928 135 135 PHE HD1 H 7.202 0.03 3 929 135 135 PHE HD2 H 7.202 0.03 3 930 135 135 PHE HE1 H 6.902 0.03 3 931 135 135 PHE HE2 H 6.902 0.03 3 932 135 135 PHE N N 125.107 0.05 1 933 136 136 ARG H H 7.741 0.03 1 934 136 136 ARG HA H 4.402 0.03 1 935 136 136 ARG HB2 H 1.471 0.03 2 936 136 136 ARG HB3 H 1.471 0.03 2 937 136 136 ARG HE H 7.192 0.03 1 938 136 136 ARG N N 125.640 0.05 1 939 136 136 ARG NE N 121.748 0.05 1 940 137 137 ILE H H 8.556 0.03 1 941 137 137 ILE HA H 3.912 0.03 1 942 137 137 ILE HB H 1.901 0.03 1 943 137 137 ILE HD1 H 0.473 0.03 1 944 137 137 ILE CA C 55.676 0.03 1 945 137 137 ILE CD1 C 6.248 0.03 1 946 137 137 ILE CG2 C 14.970 0.03 1 947 137 137 ILE N N 122.891 0.05 1 948 138 138 GLY H H 8.676 0.03 1 949 138 138 GLY HA2 H 3.740 0.03 2 950 138 138 GLY HA3 H 2.982 0.03 2 951 138 138 GLY CA C 41.908 0.03 1 952 138 138 GLY N N 117.058 0.05 1 953 139 139 ASP H H 7.858 0.03 1 954 139 139 ASP HA H 4.753 0.03 1 955 139 139 ASP HB2 H 2.479 0.03 2 956 139 139 ASP HB3 H 2.194 0.03 2 957 139 139 ASP CA C 52.584 0.03 1 958 139 139 ASP CB C 43.062 0.03 1 959 139 139 ASP N N 124.516 0.05 1 960 140 140 ILE H H 8.354 0.03 1 961 140 140 ILE HA H 4.473 0.03 1 962 140 140 ILE HB H 1.903 0.03 1 963 140 140 ILE HD1 H 0.856 0.03 1 964 140 140 ILE HG12 H 1.529 0.03 2 965 140 140 ILE HG13 H 1.529 0.03 2 966 140 140 ILE HG2 H 1.032 0.03 1 967 140 140 ILE CB C 36.173 0.03 1 968 140 140 ILE CD1 C 12.410 0.03 1 969 140 140 ILE N N 120.679 0.05 1 970 141 141 ALA H H 8.708 0.03 1 971 141 141 ALA HA H 4.862 0.03 1 972 141 141 ALA HB H 1.467 0.03 1 973 141 141 ALA CA C 47.968 0.03 1 974 141 141 ALA CB C 21.733 0.03 1 975 141 141 ALA N N 130.144 0.05 1 976 142 142 GLY H H 7.888 0.03 1 977 142 142 GLY HA2 H 4.519 0.03 2 978 142 142 GLY HA3 H 3.634 0.03 2 979 142 142 GLY N N 102.272 0.05 1 980 143 143 GLU H H 8.068 0.03 1 981 143 143 GLU HA H 4.577 0.03 1 982 143 143 GLU HB2 H 2.136 0.03 2 983 143 143 GLU HB3 H 2.136 0.03 2 984 143 143 GLU HG2 H 2.302 0.03 2 985 143 143 GLU HG3 H 2.302 0.03 2 986 143 143 GLU N N 120.569 0.05 1 987 144 144 HIS H H 8.478 0.03 1 988 144 144 HIS HA H 4.968 0.03 1 989 144 144 HIS HB2 H 3.628 0.03 2 990 144 144 HIS HB3 H 3.628 0.03 2 991 144 144 HIS HD2 H 7.568 0.03 1 992 144 144 HIS HE1 H 8.894 0.03 1 993 144 144 HIS N N 124.275 0.05 1 994 145 145 THR H H 9.031 0.03 1 995 145 145 THR HA H 4.025 0.03 1 996 145 145 THR HB H 3.294 0.03 1 997 145 145 THR HG2 H 1.175 0.03 1 998 145 145 THR CA C 61.247 0.03 1 999 145 145 THR CB C 65.181 0.03 1 1000 145 145 THR CG2 C 20.251 0.03 1 1001 145 145 THR N N 125.828 0.05 1 1002 146 146 SER H H 9.077 0.03 1 1003 146 146 SER HA H 4.684 0.03 1 1004 146 146 SER HB3 H 3.878 0.03 2 1005 146 146 SER CA C 56.067 0.03 1 1006 146 146 SER CB C 60.51 0.03 1 1007 146 146 SER N N 124.154 0.05 1 1008 147 147 PHE H H 9.049 0.03 1 1009 147 147 PHE HA H 4.022 0.03 1 1010 147 147 PHE HB2 H 2.840 0.03 2 1011 147 147 PHE HB3 H 2.589 0.03 2 1012 147 147 PHE HD1 H 6.958 0.03 3 1013 147 147 PHE HD2 H 6.958 0.03 3 1014 147 147 PHE N N 127.670 0.05 1 1015 148 148 ASP H H 8.504 0.03 1 1016 148 148 ASP HA H 4.422 0.03 1 1017 148 148 ASP HB3 H 2.673 0.03 2 1018 148 148 ASP CA C 52.584 0.03 1 1019 148 148 ASP CB C 37.800 0.03 1 1020 148 148 ASP N N 114.377 0.05 1 1021 149 149 LYS H H 7.380 0.03 1 1022 149 149 LYS HA H 4.487 0.03 1 1023 149 149 LYS HB2 H 1.558 0.03 2 1024 149 149 LYS HB3 H 1.558 0.03 2 1025 149 149 LYS HD2 H 1.411 0.03 2 1026 149 149 LYS HD3 H 1.411 0.03 2 1027 149 149 LYS HE2 H 2.168 0.03 2 1028 149 149 LYS HE3 H 2.168 0.03 2 1029 149 149 LYS HG2 H 1.261 0.03 2 1030 149 149 LYS HG3 H 1.261 0.03 2 1031 149 149 LYS CA C 51.735 0.03 1 1032 149 149 LYS CB C 30.162 0.03 1 1033 149 149 LYS CD C 26.152 0.03 1 1034 149 149 LYS CG C 22.081 0.03 1 1035 149 149 LYS N N 119.137 0.05 1 1036 150 150 LEU H H 6.886 0.03 1 1037 150 150 LEU HA H 3.996 0.03 1 1038 150 150 LEU HB2 H 1.446 0.03 2 1039 150 150 LEU HB3 H 1.446 0.03 2 1040 150 150 LEU HD1 H 0.812 0.03 2 1041 150 150 LEU HD2 H 0.812 0.03 2 1042 150 150 LEU CA C 50.502 0.03 1 1043 150 150 LEU N N 120.614 0.05 1 1044 151 151 PRO CB C 29.567 0.03 1 1045 151 151 PRO CD C 48.343 0.03 1 1046 152 152 LYS H H 8.076 0.03 1 1047 152 152 LYS HA H 4.346 0.03 1 1048 152 152 LYS HD2 H 1.740 0.03 2 1049 152 152 LYS HG2 H 1.614 0.03 2 1050 152 152 LYS HG3 H 1.352 0.03 2 1051 152 152 LYS CA C 53.182 0.03 1 1052 152 152 LYS CB C 31.487 0.03 1 1053 152 152 LYS CE C 39.861 0.03 1 1054 152 152 LYS N N 118.133 0.05 1 1055 153 153 ASP H H 7.982 0.03 1 1056 153 153 ASP HA H 4.402 0.03 1 1057 153 153 ASP HB2 H 2.803 0.03 2 1058 153 153 ASP HB3 H 2.633 0.03 2 1059 153 153 ASP CA C 52.584 0.03 1 1060 153 153 ASP CB C 37.762 0.03 1 1061 153 153 ASP N N 115.735 0.05 1 1062 154 154 VAL H H 6.987 0.03 1 1063 154 154 VAL HA H 4.406 0.03 1 1064 154 154 VAL HB H 2.076 0.03 1 1065 154 154 VAL HG1 H 0.945 0.03 2 1066 154 154 VAL HG2 H 0.945 0.03 2 1067 154 154 VAL CA C 58.408 0.03 1 1068 154 154 VAL CB C 32.617 0.03 1 1069 154 154 VAL N N 116.266 0.05 1 1070 155 155 MET H H 8.444 0.03 1 1071 155 155 MET HA H 5.416 0.03 1 1072 155 155 MET HB2 H 2.050 0.03 2 1073 155 155 MET HB3 H 2.050 0.03 2 1074 155 155 MET HG2 H 2.432 0.03 2 1075 155 155 MET HG3 H 2.432 0.03 2 1076 155 155 MET CA C 51.183 0.03 1 1077 155 155 MET CG C 29.230 0.03 1 1078 155 155 MET N N 124.950 0.05 1 1079 156 156 ALA H H 9.226 0.03 1 1080 156 156 ALA HA H 4.693 0.03 1 1081 156 156 ALA HB H 1.320 0.03 1 1082 156 156 ALA CA C 48.379 0.03 1 1083 156 156 ALA CB C 21.051 0.03 1 1084 156 156 ALA N N 129.938 0.05 1 1085 157 157 THR H H 8.554 0.03 1 1086 157 157 THR HA H 4.839 0.03 1 1087 157 157 THR HB H 3.818 0.03 1 1088 157 157 THR HG2 H 1.022 0.03 1 1089 157 157 THR CA C 59.555 0.03 1 1090 157 157 THR CB C 68.575 0.03 1 1091 157 157 THR CG2 C 18.619 0.03 1 1092 157 157 THR N N 118.815 0.05 1 1093 158 158 TYR H H 9.974 0.03 1 1094 158 158 TYR HA H 4.435 0.03 1 1095 158 158 TYR HB2 H 2.808 0.03 2 1096 158 158 TYR HB3 H 2.501 0.03 2 1097 158 158 TYR HD1 H 7.023 0.03 3 1098 158 158 TYR HD2 H 7.023 0.03 3 1099 158 158 TYR HE1 H 6.698 0.03 3 1100 158 158 TYR HE2 H 6.698 0.03 3 1101 158 158 TYR N N 126.958 0.05 1 1102 159 159 ARG H H 8.909 0.03 1 1103 159 159 ARG HA H 5.444 0.03 1 1104 159 159 ARG HB2 H 1.930 0.03 2 1105 159 159 ARG HB3 H 1.930 0.03 2 1106 159 159 ARG HD2 H 3.183 0.03 2 1107 159 159 ARG HD3 H 3.183 0.03 2 1108 159 159 ARG HE H 7.284 0.03 1 1109 159 159 ARG HG2 H 1.684 0.03 2 1110 159 159 ARG HG3 H 1.684 0.03 2 1111 159 159 ARG CA C 51.933 0.03 1 1112 159 159 ARG N N 121.721 0.05 1 1113 159 159 ARG NE N 122.193 0.05 1 1114 160 160 GLY H H 8.910 0.03 1 1115 160 160 GLY HA2 H 4.904 0.03 2 1116 160 160 GLY HA3 H 4.484 0.03 2 1117 160 160 GLY N N 113.921 0.05 1 1118 161 161 THR H H 9.110 0.03 1 1119 161 161 THR HA H 4.810 0.03 1 1120 161 161 THR HB H 3.235 0.03 1 1121 161 161 THR HG2 H 0.915 0.03 1 1122 161 161 THR CA C 59.603 0.03 1 1123 161 161 THR CB C 69.909 0.03 1 1124 161 161 THR CG2 C 18.431 0.03 1 1125 161 161 THR N N 126.813 0.05 1 1126 162 162 ALA H H 7.137 0.03 1 1127 162 162 ALA HA H 5.361 0.03 1 1128 162 162 ALA HB H 0.904 0.03 1 1129 162 162 ALA CA C 46.573 0.03 1 1130 162 162 ALA CB C 20.959 0.03 1 1131 162 162 ALA N N 128.111 0.05 1 1132 163 163 PHE H H 8.587 0.03 1 1133 163 163 PHE HA H 5.538 0.03 1 1134 163 163 PHE HB2 H 2.652 0.03 2 1135 163 163 PHE HB3 H 2.652 0.03 2 1136 163 163 PHE HD1 H 6.964 0.03 3 1137 163 163 PHE HD2 H 6.964 0.03 3 1138 163 163 PHE HE1 H 6.802 0.03 3 1139 163 163 PHE HE2 H 6.802 0.03 3 1140 163 163 PHE N N 117.349 0.05 1 1141 164 164 GLY H H 8.650 0.03 1 1142 164 164 GLY HA2 H 4.210 0.03 2 1143 164 164 GLY HA3 H 3.285 0.03 2 1144 164 164 GLY CA C 40.377 0.03 1 1145 164 164 GLY N N 108.839 0.05 1 1146 165 165 SER H H 7.684 0.03 1 1147 165 165 SER HA H 3.458 0.03 1 1148 165 165 SER N N 116.037 0.05 1 1149 166 166 ASP H H 9.718 0.03 1 1150 166 166 ASP HA H 4.281 0.03 1 1151 166 166 ASP HB2 H 2.978 0.03 2 1152 166 166 ASP HB3 H 2.770 0.03 2 1153 166 166 ASP CA C 52.584 0.03 1 1154 166 166 ASP N N 125.166 0.05 1 1155 167 167 ASP H H 7.655 0.03 1 1156 167 167 ASP HA H 4.666 0.03 1 1157 167 167 ASP HB2 H 2.603 0.03 2 1158 167 167 ASP HB3 H 2.366 0.03 2 1159 167 167 ASP CB C 38.948 0.03 1 1160 167 167 ASP N N 117.491 0.05 1 1161 168 168 ALA H H 8.585 0.03 1 1162 168 168 ALA HA H 5.012 0.03 1 1163 168 168 ALA HB H 1.379 0.03 1 1164 168 168 ALA CA C 47.485 0.03 1 1165 168 168 ALA N N 128.834 0.05 1 1166 169 169 GLY H H 8.472 0.03 1 1167 169 169 GLY HA2 H 4.404 0.03 2 1168 169 169 GLY HA3 H 4.051 0.03 2 1169 169 169 GLY CA C 43.257 0.03 1 1170 169 169 GLY N N 107.133 0.05 1 1171 170 170 GLY H H 7.229 0.03 1 1172 170 170 GLY HA2 H 4.223 0.03 2 1173 170 170 GLY HA3 H 3.781 0.03 2 1174 170 170 GLY CA C 43.310 0.03 1 1175 170 170 GLY N N 107.542 0.05 1 1176 171 171 LYS H H 9.641 0.03 1 1177 171 171 LYS HA H 5.129 0.03 1 1178 171 171 LYS HB2 H 1.725 0.03 2 1179 171 171 LYS HB3 H 1.725 0.03 2 1180 171 171 LYS HD2 H 1.548 0.03 2 1181 171 171 LYS HD3 H 1.548 0.03 2 1182 171 171 LYS HG2 H 1.365 0.03 2 1183 171 171 LYS HG3 H 1.365 0.03 2 1184 171 171 LYS CA C 51.355 0.03 1 1185 171 171 LYS N N 124.322 0.05 1 1186 172 172 LEU H H 7.764 0.03 1 1187 172 172 LEU HA H 4.973 0.03 1 1188 172 172 LEU HD1 H 0.680 0.03 2 1189 172 172 LEU HD2 H 0.420 0.03 2 1190 172 172 LEU HG H 1.175 0.03 1 1191 172 172 LEU CA C 50.348 0.03 1 1192 172 172 LEU N N 126.389 0.05 1 1193 173 173 THR H H 8.321 0.03 1 1194 173 173 THR HA H 5.017 0.03 1 1195 173 173 THR HB H 3.849 0.03 1 1196 173 173 THR HG2 H 1.115 0.03 1 1197 173 173 THR CA C 59.149 0.03 1 1198 173 173 THR CB C 67.449 0.03 1 1199 173 173 THR CG2 C 18.329 0.03 1 1200 173 173 THR N N 123.553 0.05 1 1201 174 174 TYR H H 9.367 0.03 1 1202 174 174 TYR HA H 4.660 0.03 1 1203 174 174 TYR HB2 H 2.813 0.03 2 1204 174 174 TYR HB3 H 2.485 0.03 2 1205 174 174 TYR HD1 H 6.345 0.03 3 1206 174 174 TYR HD2 H 6.345 0.03 3 1207 174 174 TYR HE1 H 6.257 0.03 3 1208 174 174 TYR HE2 H 6.257 0.03 3 1209 174 174 TYR CB C 41.267 0.03 1 1210 174 174 TYR N N 129.583 0.05 1 1211 175 175 THR H H 8.529 0.03 1 1212 175 175 THR HA H 5.388 0.03 1 1213 175 175 THR HB H 3.099 0.03 1 1214 175 175 THR HG2 H 0.972 0.03 1 1215 175 175 THR CA C 58.216 0.03 1 1216 175 175 THR CB C 68.575 0.03 1 1217 175 175 THR CG2 C 18.353 0.03 1 1218 175 175 THR N N 125.967 0.05 1 1219 176 176 ILE H H 9.139 0.03 1 1220 176 176 ILE HA H 4.382 0.03 1 1221 176 176 ILE HD1 H 0.662 0.03 1 1222 176 176 ILE HG12 H 1.329 0.03 2 1223 176 176 ILE HG13 H 1.329 0.03 2 1224 176 176 ILE HG2 H -0.447 0.03 1 1225 176 176 ILE CA C 58.006 0.03 1 1226 176 176 ILE CB C 38.881 0.03 1 1227 176 176 ILE CD1 C 13.026 0.03 1 1228 176 176 ILE CG1 C 21.372 0.03 1 1229 176 176 ILE CG2 C 13.017 0.03 1 1230 176 176 ILE N N 123.715 0.05 1 1231 177 177 ASP H H 8.501 0.03 1 1232 177 177 ASP HA H 5.011 0.03 1 1233 177 177 ASP HB2 H 2.923 0.03 2 1234 177 177 ASP HB3 H 2.513 0.03 2 1235 177 177 ASP CA C 49.089 0.03 1 1236 177 177 ASP CB C 39.282 0.03 1 1237 177 177 ASP N N 125.978 0.05 1 1238 178 178 PHE H H 8.913 0.03 1 1239 178 178 PHE HA H 3.993 0.03 1 1240 178 178 PHE HB2 H 3.361 0.03 2 1241 178 178 PHE HB3 H 3.098 0.03 2 1242 178 178 PHE HD1 H 7.270 0.03 3 1243 178 178 PHE HD2 H 7.270 0.03 3 1244 178 178 PHE CB C 34.588 0.03 1 1245 178 178 PHE N N 123.522 0.05 1 1246 179 179 ALA H H 8.487 0.03 1 1247 179 179 ALA HA H 4.528 0.03 1 1248 179 179 ALA HB H 1.579 0.03 1 1249 179 179 ALA CA C 52.584 0.03 1 1250 179 179 ALA CB C 15.666 0.03 1 1251 179 179 ALA N N 124.061 0.05 1 1252 180 180 ALA H H 7.162 0.03 1 1253 180 180 ALA HA H 4.313 0.03 1 1254 180 180 ALA HB H 1.302 0.03 1 1255 180 180 ALA CA C 49.006 0.03 1 1256 180 180 ALA CB C 16.933 0.03 1 1257 180 180 ALA N N 119.710 0.05 1 1258 181 181 LYS H H 8.092 0.03 1 1259 181 181 LYS HA H 3.457 0.03 1 1260 181 181 LYS HB2 H 1.617 0.03 2 1261 181 181 LYS HB3 H 1.617 0.03 2 1262 181 181 LYS HD2 H 1.766 0.03 2 1263 181 181 LYS HD3 H 1.766 0.03 2 1264 181 181 LYS HE2 H 2.113 0.03 2 1265 181 181 LYS HE3 H 2.113 0.03 2 1266 181 181 LYS CA C 54.783 0.03 1 1267 181 181 LYS CB C 27.088 0.03 1 1268 181 181 LYS CD C 23.532 0.03 1 1269 181 181 LYS CG C 23.499 0.03 1 1270 181 181 LYS N N 114.996 0.05 1 1271 182 182 GLN H H 7.532 0.03 1 1272 182 182 GLN HA H 5.304 0.03 1 1273 182 182 GLN HB2 H 1.615 0.03 2 1274 182 182 GLN HB3 H 1.615 0.03 2 1275 182 182 GLN HE21 H 6.782 0.03 2 1276 182 182 GLN HE22 H 6.354 0.03 2 1277 182 182 GLN HG2 H 1.992 0.03 2 1278 182 182 GLN HG3 H 1.992 0.03 2 1279 182 182 GLN CA C 51.473 0.03 1 1280 182 182 GLN CB C 31.585 0.03 1 1281 182 182 GLN N N 115.064 0.05 1 1282 182 182 GLN NE2 N 111.478 0.05 1 1283 183 183 GLY H H 9.026 0.03 1 1284 183 183 GLY HA2 H 5.376 0.03 2 1285 183 183 GLY HA3 H 3.567 0.03 2 1286 183 183 GLY CA C 42.361 0.03 1 1287 183 183 GLY N N 111.505 0.05 1 1288 184 184 HIS H H 7.508 0.03 1 1289 184 184 HIS HA H 4.304 0.03 1 1290 184 184 HIS HB2 H 3.358 0.03 2 1291 184 184 HIS HB3 H 3.124 0.03 2 1292 184 184 HIS HD2 H 6.080 0.03 1 1293 184 184 HIS CA C 52.793 0.03 1 1294 184 184 HIS CB C 27.906 0.03 1 1295 184 184 HIS N N 111.297 0.05 1 1296 185 185 GLY H H 9.160 0.03 1 1297 185 185 GLY HA2 H 4.464 0.03 2 1298 185 185 GLY HA3 H 4.117 0.03 2 1299 185 185 GLY CA C 44.212 0.03 1 1300 185 185 GLY N N 107.398 0.05 1 1301 186 186 LYS H H 9.170 0.03 1 1302 186 186 LYS HA H 4.925 0.03 1 1303 186 186 LYS HB2 H 1.894 0.03 2 1304 186 186 LYS HB3 H 1.712 0.03 2 1305 186 186 LYS HG2 H 1.283 0.03 2 1306 186 186 LYS HG3 H 1.283 0.03 2 1307 186 186 LYS CB C 33.642 0.03 1 1308 186 186 LYS N N 122.690 0.05 1 1309 187 187 ILE H H 8.444 0.03 1 1310 187 187 ILE HA H 4.626 0.03 1 1311 187 187 ILE HG12 H 1.283 0.03 2 1312 187 187 ILE HG13 H 1.283 0.03 2 1313 187 187 ILE N N 124.320 0.05 1 1314 188 188 GLU H H 8.590 0.03 1 1315 188 188 GLU HA H 4.650 0.03 1 1316 188 188 GLU HB2 H 1.586 0.03 2 1317 188 188 GLU HB3 H 1.586 0.03 2 1318 188 188 GLU HG2 H 2.095 0.03 2 1319 188 188 GLU HG3 H 1.878 0.03 2 1320 188 188 GLU CG C 35.155 0.03 1 1321 188 188 GLU N N 122.575 0.05 1 1322 189 189 HIS H H 8.726 0.03 1 1323 189 189 HIS HA H 4.055 0.03 1 1324 189 189 HIS HB2 H 3.734 0.03 2 1325 189 189 HIS HB3 H 3.411 0.03 2 1326 189 189 HIS HD2 H 7.153 0.03 1 1327 189 189 HIS CA C 54.623 0.03 1 1328 189 189 HIS CB C 24.997 0.03 1 1329 189 189 HIS N N 111.381 0.05 1 1330 190 190 LEU H H 9.715 0.03 1 1331 190 190 LEU HA H 4.379 0.03 1 1332 190 190 LEU HB2 H 1.621 0.03 2 1333 190 190 LEU HB3 H 1.621 0.03 2 1334 190 190 LEU HD1 H 0.601 0.03 2 1335 190 190 LEU HD2 H 0.601 0.03 2 1336 190 190 LEU HG H 1.259 0.03 1 1337 190 190 LEU N N 124.648 0.05 1 1338 191 191 LYS H H 10.099 0.03 1 1339 191 191 LYS HA H 3.736 0.03 1 1340 191 191 LYS HB2 H 1.641 0.03 2 1341 191 191 LYS HB3 H 1.641 0.03 2 1342 191 191 LYS HE2 H 2.950 0.03 2 1343 191 191 LYS HE3 H 2.950 0.03 2 1344 191 191 LYS HG2 H 1.437 0.03 2 1345 191 191 LYS HG3 H 1.437 0.03 2 1346 191 191 LYS CA C 55.815 0.03 1 1347 191 191 LYS CB C 30.201 0.03 1 1348 191 191 LYS CG C 22.714 0.03 1 1349 191 191 LYS N N 123.618 0.05 1 1350 192 192 SER H H 6.991 0.03 1 1351 192 192 SER HA H 4.743 0.03 1 1352 192 192 SER HB2 H 3.575 0.03 2 1353 192 192 SER HB3 H 3.575 0.03 2 1354 192 192 SER CA C 51.974 0.03 1 1355 192 192 SER CB C 60.005 0.03 1 1356 192 192 SER N N 115.071 0.05 1 1357 193 193 PRO CB C 29.607 0.03 1 1358 193 193 PRO CD C 48.395 0.03 1 1359 194 194 GLU H H 8.213 0.03 1 1360 194 194 GLU HA H 3.063 0.03 1 1361 194 194 GLU HB2 H 1.676 0.03 2 1362 194 194 GLU HB3 H 1.410 0.03 2 1363 194 194 GLU HG2 H 2.011 0.03 2 1364 194 194 GLU HG3 H 1.887 0.03 2 1365 194 194 GLU CA C 54.185 0.03 1 1366 194 194 GLU CG C 34.170 0.03 1 1367 194 194 GLU N N 114.055 0.05 1 1368 195 195 LEU H H 7.082 0.03 1 1369 195 195 LEU HA H 4.027 0.03 1 1370 195 195 LEU HB2 H 1.407 0.03 2 1371 195 195 LEU HB3 H 1.407 0.03 2 1372 195 195 LEU HD1 H 0.708 0.03 2 1373 195 195 LEU HD2 H 0.187 0.03 2 1374 195 195 LEU HG H 1.145 0.03 1 1375 195 195 LEU CA C 51.361 0.03 1 1376 195 195 LEU CB C 38.950 0.03 1 1377 195 195 LEU CD1 C 23.203 0.03 2 1378 195 195 LEU CD2 C 19.303 0.03 2 1379 195 195 LEU N N 113.898 0.05 1 1380 196 196 ASN H H 7.060 0.03 1 1381 196 196 ASN HA H 4.638 0.03 1 1382 196 196 ASN HB2 H 2.818 0.03 2 1383 196 196 ASN HB3 H 2.818 0.03 2 1384 196 196 ASN HD22 H 6.668 0.03 2 1385 196 196 ASN N N 119.196 0.05 1 1386 197 197 VAL H H 7.244 0.03 1 1387 197 197 VAL HA H 4.540 0.03 1 1388 197 197 VAL HB H 2.267 0.03 1 1389 197 197 VAL HG1 H 0.743 0.03 2 1390 197 197 VAL HG2 H 0.565 0.03 2 1391 197 197 VAL CA C 57.176 0.03 1 1392 197 197 VAL N N 113.621 0.05 1 1393 198 198 ASP H H 8.881 0.03 1 1394 198 198 ASP HA H 4.894 0.03 1 1395 198 198 ASP N N 118.852 0.05 1 1396 199 199 LEU H H 8.498 0.03 1 1397 199 199 LEU HA H 4.317 0.03 1 1398 199 199 LEU HD1 H 0.301 0.03 2 1399 199 199 LEU HD2 H 0.111 0.03 2 1400 199 199 LEU HG H 1.038 0.03 1 1401 199 199 LEU N N 124.078 0.05 1 1402 200 200 ALA H H 8.386 0.03 1 1403 200 200 ALA HA H 4.295 0.03 1 1404 200 200 ALA HB H 1.527 0.03 1 1405 200 200 ALA CA C 50.044 0.03 1 1406 200 200 ALA CB C 17.985 0.03 1 1407 200 200 ALA N N 127.315 0.05 1 1408 201 201 VAL H H 8.007 0.03 1 1409 201 201 VAL HA H 4.577 0.03 1 1410 201 201 VAL HB H 1.772 0.03 1 1411 201 201 VAL HG1 H 0.742 0.03 2 1412 201 201 VAL HG2 H 0.742 0.03 2 1413 201 201 VAL CA C 60.004 0.03 1 1414 201 201 VAL CB C 28.863 0.03 1 1415 201 201 VAL N N 119.409 0.05 1 1416 202 202 ALA H H 8.789 0.03 1 1417 202 202 ALA HA H 4.630 0.03 1 1418 202 202 ALA HB H 1.324 0.03 1 1419 202 202 ALA CA C 48.200 0.03 1 1420 202 202 ALA N N 131.745 0.05 1 1421 203 203 TYR H H 8.522 0.03 1 1422 203 203 TYR HA H 5.391 0.03 1 1423 203 203 TYR HB2 H 3.205 0.03 2 1424 203 203 TYR HB3 H 2.745 0.03 2 1425 203 203 TYR HD1 H 7.366 0.03 3 1426 203 203 TYR HD2 H 7.366 0.03 3 1427 203 203 TYR HE1 H 6.873 0.03 3 1428 203 203 TYR HE2 H 6.873 0.03 3 1429 203 203 TYR CA C 54.648 0.03 1 1430 203 203 TYR CB C 37.315 0.03 1 1431 203 203 TYR N N 117.786 0.05 1 1432 204 204 ILE H H 8.209 0.03 1 1433 204 204 ILE HA H 4.393 0.03 1 1434 204 204 ILE HB H 1.667 0.03 1 1435 204 204 ILE HD1 H 1.117 0.03 1 1436 204 204 ILE HG12 H 1.388 0.03 2 1437 204 204 ILE HG13 H 1.388 0.03 2 1438 204 204 ILE HG2 H 0.736 0.03 1 1439 204 204 ILE CB C 36.807 0.03 1 1440 204 204 ILE CD1 C 10.301 0.03 1 1441 204 204 ILE CG1 C 24.556 0.03 1 1442 204 204 ILE N N 120.602 0.05 1 1443 205 205 LYS H H 9.340 0.03 1 1444 205 205 LYS HA H 4.756 0.03 1 1445 205 205 LYS HB2 H 1.379 0.03 2 1446 205 205 LYS HB3 H 1.379 0.03 2 1447 205 205 LYS HG2 H 1.524 0.03 2 1448 205 205 LYS HG3 H 1.524 0.03 2 1449 205 205 LYS CA C 50.844 0.03 1 1450 205 205 LYS N N 127.960 0.05 1 1451 207 207 ASP H H 8.436 0.03 1 1452 207 207 ASP HA H 4.692 0.03 1 1453 207 207 ASP HB2 H 3.239 0.03 2 1454 207 207 ASP HB3 H 2.575 0.03 2 1455 207 207 ASP CA C 48.789 0.03 1 1456 207 207 ASP CB C 38.377 0.03 1 1457 207 207 ASP N N 123.098 0.05 1 1458 208 208 GLU H H 8.880 0.03 1 1459 208 208 GLU HA H 3.994 0.03 1 1460 208 208 GLU HB2 H 1.995 0.03 2 1461 208 208 GLU HB3 H 1.995 0.03 2 1462 208 208 GLU HG2 H 2.282 0.03 2 1463 208 208 GLU HG3 H 2.282 0.03 2 1464 208 208 GLU CA C 56.123 0.03 1 1465 208 208 GLU CB C 25.794 0.03 1 1466 208 208 GLU CG C 33.112 0.03 1 1467 208 208 GLU N N 119.042 0.05 1 1468 209 209 LYS H H 7.681 0.03 1 1469 209 209 LYS HA H 4.141 0.03 1 1470 209 209 LYS HB2 H 0.857 0.03 2 1471 209 209 LYS HB3 H 0.857 0.03 2 1472 209 209 LYS HD2 H 1.329 0.03 2 1473 209 209 LYS HD3 H 1.329 0.03 2 1474 209 209 LYS HE2 H 2.970 0.03 2 1475 209 209 LYS HE3 H 2.970 0.03 2 1476 209 209 LYS HG2 H 1.179 0.03 2 1477 209 209 LYS HG3 H 1.179 0.03 2 1478 209 209 LYS N N 119.252 0.05 1 1479 210 210 HIS H H 8.177 0.03 1 1480 210 210 HIS HA H 3.825 0.03 1 1481 210 210 HIS HB2 H 3.709 0.03 2 1482 210 210 HIS HB3 H 3.531 0.03 2 1483 210 210 HIS HD2 H 7.157 0.03 1 1484 210 210 HIS HE1 H 8.399 0.03 1 1485 210 210 HIS CA C 54.205 0.03 1 1486 210 210 HIS CB C 23.439 0.03 1 1487 210 210 HIS N N 112.758 0.05 1 1488 211 211 HIS H H 8.758 0.03 1 1489 211 211 HIS HA H 5.041 0.03 1 1490 211 211 HIS HB2 H 3.383 0.03 2 1491 211 211 HIS HB3 H 3.035 0.03 2 1492 211 211 HIS HD2 H 6.943 0.03 1 1493 211 211 HIS CA C 50.450 0.03 1 1494 211 211 HIS CB C 25.703 0.03 1 1495 211 211 HIS N N 119.552 0.05 1 1496 212 212 ALA H H 8.556 0.03 1 1497 212 212 ALA HA H 4.712 0.03 1 1498 212 212 ALA HB H 1.357 0.03 1 1499 212 212 ALA CA C 49.886 0.03 1 1500 212 212 ALA CB C 18.860 0.03 1 1501 212 212 ALA N N 123.780 0.05 1 1502 213 213 VAL H H 9.338 0.03 1 1503 213 213 VAL HA H 5.074 0.03 1 1504 213 213 VAL HB H 2.137 0.03 1 1505 213 213 VAL HG1 H 0.832 0.03 2 1506 213 213 VAL HG2 H 0.832 0.03 2 1507 213 213 VAL CA C 57.486 0.03 1 1508 213 213 VAL CB C 33.938 0.03 1 1509 213 213 VAL N N 124.742 0.05 1 1510 214 214 ILE H H 8.962 0.03 1 1511 214 214 ILE HA H 4.434 0.03 1 1512 214 214 ILE HG12 H 1.408 0.03 2 1513 214 214 ILE HG13 H 1.408 0.03 2 1514 214 214 ILE HG2 H 0.770 0.03 1 1515 214 214 ILE CG2 C 15.948 0.03 1 1516 214 214 ILE N N 122.881 0.05 1 1517 215 215 SER H H 8.558 0.03 1 1518 215 215 SER HA H 5.001 0.03 1 1519 215 215 SER HB2 H 3.683 0.03 2 1520 215 215 SER HB3 H 3.683 0.03 2 1521 215 215 SER CA C 53.23 0.03 1 1522 215 215 SER CB C 62.077 0.03 1 1523 215 215 SER N N 122.891 0.05 1 1524 216 216 GLY H H 7.282 0.03 1 1525 216 216 GLY HA2 H 4.515 0.03 2 1526 216 216 GLY HA3 H 3.473 0.03 2 1527 216 216 GLY CA C 42.816 0.03 1 1528 216 216 GLY N N 110.899 0.05 1 1529 217 217 SER H H 8.673 0.03 1 1530 217 217 SER HA H 5.127 0.03 1 1531 217 217 SER HB2 H 3.943 0.03 2 1532 217 217 SER HB3 H 3.751 0.03 2 1533 217 217 SER CA C 56.266 0.03 1 1534 217 217 SER N N 117.164 0.05 1 1535 218 218 VAL H H 7.451 0.03 1 1536 218 218 VAL HA H 5.128 0.03 1 1537 218 218 VAL HB H 1.727 0.03 1 1538 218 218 VAL HG1 H 0.743 0.03 2 1539 218 218 VAL HG2 H 0.743 0.03 2 1540 218 218 VAL CA C 56.637 0.03 1 1541 218 218 VAL N N 117.826 0.05 1 1542 219 219 LEU H H 9.022 0.03 1 1543 219 219 LEU HA H 5.387 0.03 1 1544 219 219 LEU HB2 H 1.699 0.03 2 1545 219 219 LEU HB3 H 1.699 0.03 2 1546 219 219 LEU HD1 H 0.770 0.03 2 1547 219 219 LEU HD2 H 0.578 0.03 2 1548 219 219 LEU HG H 1.395 0.03 1 1549 219 219 LEU CA C 50.450 0.03 1 1550 219 219 LEU N N 124.820 0.05 1 1551 220 220 TYR H H 8.816 0.03 1 1552 220 220 TYR HA H 4.834 0.03 1 1553 220 220 TYR HB2 H 2.809 0.03 2 1554 220 220 TYR HB3 H 2.809 0.03 2 1555 220 220 TYR HD1 H 6.999 0.03 3 1556 220 220 TYR HD2 H 6.999 0.03 3 1557 220 220 TYR HE1 H 6.815 0.03 3 1558 220 220 TYR HE2 H 6.815 0.03 3 1559 220 220 TYR N N 121.249 0.05 1 1560 221 221 ASN H H 9.191 0.03 1 1561 221 221 ASN HA H 4.048 0.03 1 1562 221 221 ASN HB2 H 2.838 0.03 2 1563 221 221 ASN HB3 H 2.395 0.03 2 1564 221 221 ASN HD21 H 7.133 0.03 2 1565 221 221 ASN HD22 H 6.486 0.03 2 1566 221 221 ASN CA C 51.647 0.03 1 1567 221 221 ASN CB C 36.640 0.03 1 1568 221 221 ASN N N 129.865 0.05 1 1569 221 221 ASN ND2 N 112.598 0.05 1 1570 222 222 GLN H H 8.468 0.03 1 1571 222 222 GLN HA H 3.671 0.03 1 1572 222 222 GLN HB2 H 2.250 0.03 2 1573 222 222 GLN HB3 H 2.250 0.03 2 1574 222 222 GLN HG2 H 2.369 0.03 2 1575 222 222 GLN HG3 H 2.369 0.03 2 1576 222 222 GLN CA C 55.075 0.03 1 1577 222 222 GLN CB C 24.663 0.03 1 1578 222 222 GLN CG C 31.769 0.03 1 1579 222 222 GLN N N 108.367 0.05 1 1580 223 223 ASP H H 7.797 0.03 1 1581 223 223 ASP HA H 4.986 0.03 1 1582 223 223 ASP HB2 H 2.746 0.03 2 1583 223 223 ASP HB3 H 2.746 0.03 2 1584 223 223 ASP N N 120.842 0.05 1 1585 224 224 GLU H H 8.731 0.03 1 1586 224 224 GLU HA H 4.690 0.03 1 1587 224 224 GLU HB2 H 2.251 0.03 2 1588 224 224 GLU HB3 H 2.106 0.03 2 1589 224 224 GLU HG2 H 2.551 0.03 2 1590 224 224 GLU HG3 H 2.402 0.03 2 1591 224 224 GLU CA C 54.703 0.03 1 1592 224 224 GLU CB C 26.357 0.03 1 1593 224 224 GLU CG C 32.966 0.03 1 1594 224 224 GLU N N 124.249 0.05 1 1595 225 225 LYS H H 8.730 0.03 1 1596 225 225 LYS HA H 4.754 0.03 1 1597 225 225 LYS HD2 H 1.728 0.03 2 1598 225 225 LYS HD3 H 1.728 0.03 2 1599 225 225 LYS HE2 H 2.881 0.03 2 1600 225 225 LYS HE3 H 2.881 0.03 2 1601 225 225 LYS HG2 H 1.439 0.03 2 1602 225 225 LYS HG3 H 1.439 0.03 2 1603 225 225 LYS CD C 25.191 0.03 1 1604 225 225 LYS N N 126.784 0.05 1 1605 226 226 GLY H H 7.683 0.03 1 1606 226 226 GLY HA2 H 5.567 0.03 2 1607 226 226 GLY HA3 H 3.819 0.03 2 1608 226 226 GLY CA C 42.264 0.03 1 1609 226 226 GLY N N 107.140 0.05 1 1610 227 227 SER H H 8.672 0.03 1 1611 227 227 SER HA H 5.564 0.03 1 1612 227 227 SER HB2 H 3.934 0.03 2 1613 227 227 SER HB3 H 3.934 0.03 2 1614 227 227 SER CA C 54.373 0.03 1 1615 227 227 SER CB C 63.963 0.03 1 1616 227 227 SER N N 117.767 0.05 1 1617 228 228 TYR H H 9.073 0.03 1 1618 228 228 TYR HA H 5.519 0.03 1 1619 228 228 TYR HB2 H 2.738 0.03 2 1620 228 228 TYR HB3 H 2.513 0.03 2 1621 228 228 TYR HD1 H 6.695 0.03 3 1622 228 228 TYR HD2 H 6.695 0.03 3 1623 228 228 TYR HE1 H 6.456 0.03 3 1624 228 228 TYR HE2 H 6.456 0.03 3 1625 228 228 TYR N N 118.324 0.05 1 1626 229 229 SER H H 8.929 0.03 1 1627 229 229 SER HA H 5.209 0.03 1 1628 229 229 SER HB2 H 3.732 0.03 2 1629 229 229 SER HB3 H 3.732 0.03 2 1630 229 229 SER CA C 54.131 0.03 1 1631 229 229 SER N N 116.118 0.05 1 1632 230 230 LEU H H 9.372 0.03 1 1633 230 230 LEU HA H 4.803 0.03 1 1634 230 230 LEU HB2 H 1.294 0.03 2 1635 230 230 LEU HB3 H 1.294 0.03 2 1636 230 230 LEU HD1 H 0.244 0.03 2 1637 230 230 LEU HD2 H -0.329 0.03 2 1638 230 230 LEU CD1 C 20.842 0.03 2 1639 230 230 LEU CD2 C 21.822 0.03 2 1640 230 230 LEU CG C 23.491 0.03 1 1641 230 230 LEU N N 124.803 0.05 1 1642 231 231 GLY H H 9.080 0.03 1 1643 231 231 GLY HA2 H 4.776 0.03 2 1644 231 231 GLY HA3 H 3.528 0.03 2 1645 231 231 GLY CA C 41.468 0.03 1 1646 231 231 GLY N N 109.611 0.05 1 1647 232 232 ILE H H 6.849 0.03 1 1648 232 232 ILE HA H 4.742 0.03 1 1649 232 232 ILE HB H 1.442 0.03 1 1650 232 232 ILE HG12 H 1.114 0.03 2 1651 232 232 ILE HG13 H 1.114 0.03 2 1652 232 232 ILE HG2 H 0.826 0.03 1 1653 232 232 ILE CD1 C 11.919 0.03 1 1654 232 232 ILE N N 120.566 0.05 1 1655 233 233 PHE H H 9.569 0.03 1 1656 233 233 PHE HA H 4.979 0.03 1 1657 233 233 PHE HB2 H 2.891 0.03 2 1658 233 233 PHE HB3 H 2.345 0.03 2 1659 233 233 PHE HD1 H 6.668 0.03 3 1660 233 233 PHE HD2 H 6.668 0.03 3 1661 233 233 PHE N N 129.256 0.05 1 1662 234 234 GLY H H 8.734 0.03 1 1663 234 234 GLY HA2 H 4.488 0.03 2 1664 234 234 GLY HA3 H 3.327 0.03 2 1665 234 234 GLY CA C 40.377 0.03 1 1666 234 234 GLY N N 105.294 0.05 1 1667 235 235 GLU H H 9.198 0.03 1 1668 235 235 GLU HA H 4.111 0.03 1 1669 235 235 GLU HB2 H 2.076 0.03 2 1670 235 235 GLU HB3 H 2.076 0.03 2 1671 235 235 GLU HG2 H 2.426 0.03 2 1672 235 235 GLU HG3 H 2.249 0.03 2 1673 235 235 GLU CA C 56.466 0.03 1 1674 235 235 GLU CB C 26.256 0.03 1 1675 235 235 GLU CG C 33.142 0.03 1 1676 235 235 GLU N N 125.813 0.05 1 1677 236 236 LYS H H 8.147 0.03 1 1678 236 236 LYS HA H 4.373 0.03 1 1679 236 236 LYS HB2 H 1.962 0.03 2 1680 236 236 LYS HB3 H 1.962 0.03 2 1681 236 236 LYS N N 117.810 0.05 1 1682 237 237 ALA H H 7.685 0.03 1 1683 237 237 ALA HA H 3.902 0.03 1 1684 237 237 ALA HB H 1.176 0.03 1 1685 237 237 ALA CA C 49.762 0.03 1 1686 237 237 ALA CB C 14.720 0.03 1 1687 237 237 ALA N N 118.704 0.05 1 1688 238 238 GLN H H 9.312 0.03 1 1689 238 238 GLN HA H 4.049 0.03 1 1690 238 238 GLN HB2 H 1.907 0.03 2 1691 238 238 GLN HB3 H 1.907 0.03 2 1692 238 238 GLN HG2 H 2.404 0.03 2 1693 238 238 GLN HG3 H 2.404 0.03 2 1694 238 238 GLN N N 118.059 0.05 1 1695 239 239 GLU H H 8.785 0.03 1 1696 239 239 GLU HA H 5.531 0.03 1 1697 239 239 GLU HB2 H 1.943 0.03 2 1698 239 239 GLU HB3 H 1.943 0.03 2 1699 239 239 GLU HG2 H 2.337 0.03 2 1700 239 239 GLU HG3 H 2.337 0.03 2 1701 239 239 GLU N N 116.914 0.05 1 1702 240 240 VAL H H 8.501 0.03 1 1703 240 240 VAL HA H 5.655 0.03 1 1704 240 240 VAL HB H 1.579 0.03 1 1705 240 240 VAL HG1 H 0.150 0.03 2 1706 240 240 VAL HG2 H 0.037 0.03 2 1707 240 240 VAL CA C 55.582 0.03 1 1708 240 240 VAL CG1 C 15.624 0.03 2 1709 240 240 VAL CG2 C 17.904 0.03 2 1710 240 240 VAL N N 110.588 0.05 1 1711 241 241 ALA H H 8.463 0.03 1 1712 241 241 ALA HA H 5.014 0.03 1 1713 241 241 ALA HB H 1.146 0.03 1 1714 241 241 ALA CA C 49.361 0.03 1 1715 241 241 ALA CB C 18.196 0.03 1 1716 241 241 ALA N N 121.125 0.05 1 1717 242 242 GLY H H 9.421 0.03 1 1718 242 242 GLY HA2 H 5.161 0.03 2 1719 242 242 GLY HA3 H 4.076 0.03 2 1720 242 242 GLY N N 112.036 0.05 1 1721 243 243 SER H H 8.929 0.03 1 1722 243 243 SER HA H 5.331 0.03 1 1723 243 243 SER HB2 H 3.941 0.03 2 1724 243 243 SER HB3 H 3.803 0.03 2 1725 243 243 SER N N 116.113 0.05 1 1726 244 244 ALA H H 9.218 0.03 1 1727 244 244 ALA HA H 5.221 0.03 1 1728 244 244 ALA HB H 1.123 0.03 1 1729 244 244 ALA CA C 47.883 0.03 1 1730 244 244 ALA N N 120.635 0.05 1 1731 245 245 GLU H H 9.194 0.03 1 1732 245 245 GLU HA H 4.869 0.03 1 1733 245 245 GLU HB2 H 1.936 0.03 2 1734 245 245 GLU HB3 H 1.936 0.03 2 1735 245 245 GLU HG2 H 2.134 0.03 2 1736 245 245 GLU HG3 H 2.134 0.03 2 1737 245 245 GLU N N 123.487 0.05 1 1738 246 246 VAL H H 8.531 0.03 1 1739 246 246 VAL HA H 4.518 0.03 1 1740 246 246 VAL HB H 1.728 0.03 1 1741 246 246 VAL HG1 H 0.770 0.03 2 1742 246 246 VAL HG2 H 0.770 0.03 2 1743 246 246 VAL CA C 58.286 0.03 1 1744 246 246 VAL N N 123.347 0.05 1 1745 247 247 GLU H H 9.132 0.03 1 1746 247 247 GLU HA H 4.368 0.03 1 1747 247 247 GLU HB2 H 1.935 0.03 2 1748 247 247 GLU HB3 H 1.822 0.03 2 1749 247 247 GLU HG2 H 2.221 0.03 2 1750 247 247 GLU HG3 H 2.221 0.03 2 1751 247 247 GLU CB C 26.744 0.03 1 1752 247 247 GLU N N 129.243 0.05 1 1753 248 248 THR H H 7.827 0.03 1 1754 248 248 THR HA H 4.749 0.03 1 1755 248 248 THR HB H 4.309 0.03 1 1756 248 248 THR HG2 H 0.736 0.03 1 1757 248 248 THR CA C 56.859 0.03 1 1758 248 248 THR CB C 69.171 0.03 1 1759 248 248 THR CG2 C 19.568 0.03 1 1760 248 248 THR N N 114.228 0.05 1 1761 249 249 ALA H H 9.148 0.03 1 1762 249 249 ALA HA H 4.174 0.03 1 1763 249 249 ALA HB H 1.456 0.03 1 1764 249 249 ALA CA C 51.970 0.03 1 1765 249 249 ALA CB C 15.797 0.03 1 1766 249 249 ALA N N 123.341 0.05 1 1767 250 250 ASN H H 7.974 0.03 1 1768 250 250 ASN HA H 4.953 0.03 1 1769 250 250 ASN HB2 H 2.942 0.03 2 1770 250 250 ASN HB3 H 2.741 0.03 2 1771 250 250 ASN HD21 H 7.586 0.03 2 1772 250 250 ASN HD22 H 6.965 0.03 2 1773 250 250 ASN CA C 49.198 0.03 1 1774 250 250 ASN CB C 35.976 0.03 1 1775 250 250 ASN N N 113.358 0.05 1 1776 250 250 ASN ND2 N 113.363 0.05 1 1777 251 251 GLY H H 7.510 0.03 1 1778 251 251 GLY HA2 H 4.492 0.03 2 1779 251 251 GLY HA3 H 3.853 0.03 2 1780 251 251 GLY CA C 41.435 0.03 1 1781 251 251 GLY N N 108.692 0.05 1 1782 252 252 ILE H H 8.465 0.03 1 1783 252 252 ILE HA H 4.521 0.03 1 1784 252 252 ILE HB H 1.674 0.03 1 1785 252 252 ILE HD1 H 0.814 0.03 1 1786 252 252 ILE HG12 H 1.528 0.03 2 1787 252 252 ILE HG13 H 1.058 0.03 2 1788 252 252 ILE HG2 H 0.509 0.03 1 1789 252 252 ILE CB C 35.653 0.03 1 1790 252 252 ILE CD1 C 9.879 0.03 1 1791 252 252 ILE CG1 C 25.737 0.03 1 1792 252 252 ILE CG2 C 15.153 0.03 1 1793 252 252 ILE N N 122.043 0.05 1 1794 253 253 HIS H H 9.311 0.03 1 1795 253 253 HIS HA H 4.861 0.03 1 1796 253 253 HIS HB2 H 2.864 0.03 2 1797 253 253 HIS HB3 H 2.864 0.03 2 1798 253 253 HIS HD2 H 7.248 0.03 1 1799 253 253 HIS HE1 H 8.529 0.03 1 1800 253 253 HIS N N 126.617 0.05 1 1801 254 254 HIS H H 8.820 0.03 1 1802 254 254 HIS HA H 5.305 0.03 1 1803 254 254 HIS HB2 H 3.205 0.03 2 1804 254 254 HIS HB3 H 3.205 0.03 2 1805 254 254 HIS CA C 52.781 0.03 1 1806 254 254 HIS N N 122.665 0.05 1 1807 255 255 ILE H H 9.047 0.03 1 1808 255 255 ILE HA H 4.651 0.03 1 1809 255 255 ILE HB H 1.578 0.03 1 1810 255 255 ILE HG12 H 1.201 0.03 2 1811 255 255 ILE HG13 H 1.201 0.03 2 1812 255 255 ILE HG2 H 0.655 0.03 1 1813 255 255 ILE N N 123.958 0.05 1 1814 256 256 GLY H H 9.339 0.03 1 1815 256 256 GLY HA2 H 3.816 0.03 2 1816 256 256 GLY HA3 H 2.267 0.03 2 1817 256 256 GLY N N 115.022 0.05 1 1818 257 257 LEU H H 7.890 0.03 1 1819 257 257 LEU HA H 4.853 0.03 1 1820 257 257 LEU HB2 H 1.344 0.03 2 1821 257 257 LEU HB3 H 1.344 0.03 2 1822 257 257 LEU HD1 H 0.682 0.03 2 1823 257 257 LEU HD2 H 0.474 0.03 2 1824 257 257 LEU HG H 0.855 0.03 1 1825 257 257 LEU N N 121.441 0.05 1 1826 258 258 ALA H H 7.982 0.03 1 1827 258 258 ALA HA H 4.668 0.03 1 1828 258 258 ALA HB H 1.094 0.03 1 1829 258 258 ALA CA C 49.678 0.03 1 1830 258 258 ALA CB C 19.561 0.03 1 1831 258 258 ALA N N 123.234 0.05 1 1832 259 259 ALA H H 9.117 0.03 1 1833 259 259 ALA HA H 4.790 0.03 1 1834 259 259 ALA HB H 1.002 0.03 1 1835 259 259 ALA N N 123.901 0.05 1 1836 260 260 LYS H H 8.452 0.03 1 1837 260 260 LYS HA H 5.914 0.03 1 1838 260 260 LYS HB2 H 1.729 0.03 2 1839 260 260 LYS HB3 H 1.729 0.03 2 1840 260 260 LYS HG2 H 1.552 0.03 2 1841 260 260 LYS HG3 H 1.552 0.03 2 1842 260 260 LYS CA C 51.818 0.03 1 1843 260 260 LYS N N 116.464 0.05 1 1844 261 261 GLN H H 8.757 0.03 1 1845 261 261 GLN HA H 4.464 0.03 1 1846 261 261 GLN HB2 H 1.811 0.03 2 1847 261 261 GLN HB3 H 1.811 0.03 2 1848 261 261 GLN HG2 H 2.250 0.03 2 1849 261 261 GLN HG3 H 2.250 0.03 2 1850 261 261 GLN N N 129.579 0.05 1 stop_ save_