data_17250 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GNA1946 ; _BMRB_accession_number 17250 _BMRB_flat_file_name bmr17250.str _Entry_type original _Submission_date 2010-10-12 _Accession_date 2010-10-12 _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 Bonvin Alexandre . . 2 Neumoin Alexey . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1597 "13C chemical shifts" 1186 "15N chemical shifts" 282 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-25 original author . stop_ _Original_release_date 2012-07-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N assignment of the GNA1946 outer membrane lipoprotein from Neisseria meningitidis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21188561 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Neumoin Alexey . . 2 Leonchiks Ainars . . 3 Petit Pierre . . 4 Vuillard Laurent . . 5 Pizza M. . . 6 Soriani Marco . . 7 Boelens Rolf . . 8 Bonvin Alexandre . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 135 _Page_last 138 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GNA1946 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GNA1946 $GNA1946 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_GNA1946 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GNA1946 _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 287 _Mol_residue_sequence ; MKTFFKTLSAAALALILAAC GGQKDSAPAASASAAADNGA AKKEIVFGTTVGDFGDMVKE QIQAELEKKGYTVKLVEFTD YVRPNLALAEGELDINVFQH KPYLDDFKKEHNLDITEVFQ VPTAPLGLYPGKLKSLEEVK DGSTVSAPNDPSNFARVLVM LDELGWIKLKDGINPLTASK ADIAENLKNIKIVELEAAQL PRSRADVDFAVVNGNYAISS GMKLTEALFQEPSFAYVNWS AVKTADKDSQWLKDVTEAYN SDAFKAYAHKRFEGYKSPAA WNEGAAK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 THR 4 PHE 5 PHE 6 LYS 7 THR 8 LEU 9 SER 10 ALA 11 ALA 12 ALA 13 LEU 14 ALA 15 LEU 16 ILE 17 LEU 18 ALA 19 ALA 20 CYS 21 GLY 22 GLY 23 GLN 24 LYS 25 ASP 26 SER 27 ALA 28 PRO 29 ALA 30 ALA 31 SER 32 ALA 33 SER 34 ALA 35 ALA 36 ALA 37 ASP 38 ASN 39 GLY 40 ALA 41 ALA 42 LYS 43 LYS 44 GLU 45 ILE 46 VAL 47 PHE 48 GLY 49 THR 50 THR 51 VAL 52 GLY 53 ASP 54 PHE 55 GLY 56 ASP 57 MET 58 VAL 59 LYS 60 GLU 61 GLN 62 ILE 63 GLN 64 ALA 65 GLU 66 LEU 67 GLU 68 LYS 69 LYS 70 GLY 71 TYR 72 THR 73 VAL 74 LYS 75 LEU 76 VAL 77 GLU 78 PHE 79 THR 80 ASP 81 TYR 82 VAL 83 ARG 84 PRO 85 ASN 86 LEU 87 ALA 88 LEU 89 ALA 90 GLU 91 GLY 92 GLU 93 LEU 94 ASP 95 ILE 96 ASN 97 VAL 98 PHE 99 GLN 100 HIS 101 LYS 102 PRO 103 TYR 104 LEU 105 ASP 106 ASP 107 PHE 108 LYS 109 LYS 110 GLU 111 HIS 112 ASN 113 LEU 114 ASP 115 ILE 116 THR 117 GLU 118 VAL 119 PHE 120 GLN 121 VAL 122 PRO 123 THR 124 ALA 125 PRO 126 LEU 127 GLY 128 LEU 129 TYR 130 PRO 131 GLY 132 LYS 133 LEU 134 LYS 135 SER 136 LEU 137 GLU 138 GLU 139 VAL 140 LYS 141 ASP 142 GLY 143 SER 144 THR 145 VAL 146 SER 147 ALA 148 PRO 149 ASN 150 ASP 151 PRO 152 SER 153 ASN 154 PHE 155 ALA 156 ARG 157 VAL 158 LEU 159 VAL 160 MET 161 LEU 162 ASP 163 GLU 164 LEU 165 GLY 166 TRP 167 ILE 168 LYS 169 LEU 170 LYS 171 ASP 172 GLY 173 ILE 174 ASN 175 PRO 176 LEU 177 THR 178 ALA 179 SER 180 LYS 181 ALA 182 ASP 183 ILE 184 ALA 185 GLU 186 ASN 187 LEU 188 LYS 189 ASN 190 ILE 191 LYS 192 ILE 193 VAL 194 GLU 195 LEU 196 GLU 197 ALA 198 ALA 199 GLN 200 LEU 201 PRO 202 ARG 203 SER 204 ARG 205 ALA 206 ASP 207 VAL 208 ASP 209 PHE 210 ALA 211 VAL 212 VAL 213 ASN 214 GLY 215 ASN 216 TYR 217 ALA 218 ILE 219 SER 220 SER 221 GLY 222 MET 223 LYS 224 LEU 225 THR 226 GLU 227 ALA 228 LEU 229 PHE 230 GLN 231 GLU 232 PRO 233 SER 234 PHE 235 ALA 236 TYR 237 VAL 238 ASN 239 TRP 240 SER 241 ALA 242 VAL 243 LYS 244 THR 245 ALA 246 ASP 247 LYS 248 ASP 249 SER 250 GLN 251 TRP 252 LEU 253 LYS 254 ASP 255 VAL 256 THR 257 GLU 258 ALA 259 TYR 260 ASN 261 SER 262 ASP 263 ALA 264 PHE 265 LYS 266 ALA 267 TYR 268 ALA 269 HIS 270 LYS 271 ARG 272 PHE 273 GLU 274 GLY 275 TYR 276 LYS 277 SER 278 PRO 279 ALA 280 ALA 281 TRP 282 ASN 283 GLU 284 GLY 285 ALA 286 ALA 287 LYS 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 3GXA "Crystal Structure Of Gna1946" 92.68 275 99.62 99.62 0.00e+00 PDB 3IR1 "Crystal Structure Of Lipoprotein Gna1946 From Neisseria Meningitidis" 85.37 245 99.59 99.59 8.82e-177 EMBL CAM07784 "putative lipoprotein [Neisseria meningitidis Z2491]" 100.00 287 99.65 99.65 0.00e+00 EMBL CAM11078 "putative lipoprotein [Neisseria meningitidis FAM18]" 100.00 287 98.95 98.95 0.00e+00 EMBL CAX50901 "putative D-methionine-binding lipoprotein MetQ [Neisseria meningitidis 8013]" 100.00 287 99.65 99.65 0.00e+00 EMBL CBA03352 "ABC transporter substrate binding protein [Neisseria meningitidis alpha153]" 100.00 287 99.65 99.65 0.00e+00 EMBL CBA03733 "putative lipoprotein [Neisseria meningitidis alpha14]" 100.00 287 98.95 98.95 0.00e+00 GB AAF42275 "outer membrane lipoprotein [Neisseria meningitidis MC58]" 100.00 287 100.00 100.00 0.00e+00 GB AAF42629 "outer membrane lipoprotein GNA1946 [Neisseria meningitidis]" 100.00 287 98.95 98.95 0.00e+00 GB AAF42630 "outer membrane lipoprotein GNA1946 [Neisseria meningitidis]" 100.00 287 99.30 99.65 0.00e+00 GB AAF42631 "outer membrane lipoprotein GNA1946 [Neisseria meningitidis]" 100.00 287 98.95 98.95 0.00e+00 GB AAF42632 "outer membrane lipoprotein GNA1946 [Neisseria meningitidis]" 100.00 287 99.65 99.65 0.00e+00 REF NP_274940 "outer membrane lipoprotein [Neisseria meningitidis MC58]" 100.00 287 100.00 100.00 0.00e+00 REF WP_002214810 "membrane protein [Neisseria meningitidis]" 100.00 287 99.65 99.65 0.00e+00 REF WP_002218060 "membrane protein [Neisseria meningitidis]" 100.00 287 99.65 99.65 0.00e+00 REF WP_002221629 "membrane protein [Neisseria meningitidis]" 100.00 287 98.95 98.95 0.00e+00 REF WP_002223094 "membrane protein [Neisseria meningitidis]" 100.00 287 99.30 99.30 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 $GNA1946 '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 $GNA1946 'recombinant technology' . Escherichia coli . pGEX-6P-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GNA1946 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details Cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GNA1946 _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 10 10 ALA H H 7.75 0.05 1 2 10 10 ALA HA H 4.21 0.05 1 3 10 10 ALA HB H 1.51 0.05 1 4 10 10 ALA C C 180.9 0.05 1 5 10 10 ALA CA C 55.1 0.05 1 6 10 10 ALA CB C 18.2 0.05 1 7 10 10 ALA N N 124 0.05 1 8 11 11 ALA H H 8.73 0.05 1 9 11 11 ALA HA H 4.07 0.05 1 10 11 11 ALA HB H 1.42 0.05 1 11 11 11 ALA C C 178.7 0.05 1 12 11 11 ALA CA C 55.1 0.05 1 13 11 11 ALA CB C 18.5 0.05 1 14 11 11 ALA N N 122.8 0.05 1 15 12 12 ALA H H 9.12 0.05 1 16 12 12 ALA HA H 5.47 0.05 1 17 12 12 ALA HB H 1.24 0.05 1 18 12 12 ALA C C 176.2 0.05 1 19 12 12 ALA CA C 50.7 0.05 1 20 12 12 ALA CB C 20 0.05 1 21 12 12 ALA N N 134.2 0.05 1 22 13 13 LEU H H 7.896 0.05 1 23 13 13 LEU HA H 4.919 0.05 1 24 13 13 LEU HB2 H 1.306 0.05 2 25 13 13 LEU HB3 H 1.561 0.05 2 26 13 13 LEU HD1 H 0.738 0.05 2 27 13 13 LEU HD2 H 0.787 0.05 2 28 13 13 LEU HG H 1.206 0.05 1 29 13 13 LEU C C 174.867 0.05 1 30 13 13 LEU CA C 53.385 0.05 1 31 13 13 LEU CB C 44.577 0.05 1 32 13 13 LEU CD1 C 24.944 0.05 2 33 13 13 LEU CD2 C 24.175 0.05 2 34 13 13 LEU CG C 28.718 0.05 1 35 13 13 LEU N N 126.561 0.05 1 36 14 14 ALA H H 8.99 0.05 1 37 14 14 ALA HA H 4 0.05 1 38 14 14 ALA HB H 1.36 0.05 1 39 14 14 ALA C C 177.2 0.05 1 40 14 14 ALA CA C 53 0.05 1 41 14 14 ALA CB C 17.1 0.05 1 42 14 14 ALA N N 128.4 0.05 1 43 15 15 LEU H H 7.796 0.05 1 44 15 15 LEU HA H 4.025 0.05 1 45 15 15 LEU HB2 H 0.958 0.05 2 46 15 15 LEU HB3 H 1.287 0.05 2 47 15 15 LEU HD1 H 0.539 0.05 2 48 15 15 LEU HD2 H 0.737 0.05 2 49 15 15 LEU HG H 1.345 0.05 1 50 15 15 LEU C C 179.887 0.05 1 51 15 15 LEU CA C 56.869 0.05 1 52 15 15 LEU CB C 41.209 0.05 1 53 15 15 LEU CD1 C 23.476 0.05 2 54 15 15 LEU CD2 C 23.873 0.05 2 55 15 15 LEU CG C 27.036 0.05 1 56 15 15 LEU N N 115.879 0.05 1 57 16 16 ILE H H 9.353 0.05 1 58 16 16 ILE HA H 4.316 0.05 1 59 16 16 ILE HB H 2.189 0.05 1 60 16 16 ILE HD1 H 0.531 0.05 1 61 16 16 ILE HG12 H 0.719 0.05 2 62 16 16 ILE HG13 H 1.191 0.05 2 63 16 16 ILE HG2 H 0.554 0.05 1 64 16 16 ILE C C 173.767 0.05 1 65 16 16 ILE CA C 61.48 0.05 1 66 16 16 ILE CB C 38.327 0.05 1 67 16 16 ILE CD1 C 13.809 0.05 1 68 16 16 ILE CG1 C 25.487 0.05 1 69 16 16 ILE CG2 C 18.926 0.05 1 70 16 16 ILE N N 115.211 0.05 1 71 17 17 LEU H H 8.29 0.05 1 72 17 17 LEU HA H 4.83 0.05 1 73 17 17 LEU HB2 H 1.37 0.05 2 74 17 17 LEU HB3 H 0.35 0.05 2 75 17 17 LEU HD1 H 0.59 0.05 2 76 17 17 LEU HD2 H 0.4 0.05 2 77 17 17 LEU HG H 1.56 0.05 1 78 17 17 LEU C C 177.1 0.05 1 79 17 17 LEU CA C 55.1 0.05 1 80 17 17 LEU CB C 39.8 0.05 1 81 17 17 LEU CD1 C 21.4 0.05 2 82 17 17 LEU CD2 C 21.4 0.05 2 83 17 17 LEU CG C 25.3 0.05 1 84 17 17 LEU N N 127.5 0.05 1 85 18 18 ALA H H 8.148 0.05 1 86 18 18 ALA HA H 4.361 0.05 1 87 18 18 ALA HB H 1.388 0.05 1 88 18 18 ALA C C 177.947 0.05 1 89 18 18 ALA CA C 52.157 0.05 1 90 18 18 ALA CB C 18.505 0.05 1 91 18 18 ALA N N 116.764 0.05 1 92 19 19 ALA H H 8.25 0.05 1 93 19 19 ALA HA H 4.29 0.05 1 94 19 19 ALA HB H 1.5 0.05 1 95 19 19 ALA C C 179.6 0.05 1 96 19 19 ALA CA C 54.4 0.05 1 97 19 19 ALA CB C 19 0.05 1 98 19 19 ALA N N 122.4 0.05 1 99 20 20 CYS H H 7.535 0.05 1 100 20 20 CYS HA H 4.267 0.05 1 101 20 20 CYS HB2 H 2.644 0.05 2 102 20 20 CYS HB3 H 1.741 0.05 2 103 20 20 CYS C C 177.954 0.05 1 104 20 20 CYS CA C 60.806 0.05 1 105 20 20 CYS CB C 26.089 0.05 1 106 20 20 CYS N N 120.515 0.05 1 107 21 21 GLY H H 9.08 0.05 1 108 21 21 GLY HA2 H 4.3 0.05 2 109 21 21 GLY HA3 H 3.64 0.05 2 110 21 21 GLY C C 174.1 0.05 1 111 21 21 GLY CA C 45.3 0.05 1 112 21 21 GLY N N 114 0.05 1 113 22 22 GLY H H 8.153 0.05 1 114 22 22 GLY C C 178.967 0.05 1 115 22 22 GLY CA C 46.32 0.05 1 116 22 22 GLY N N 117.465 0.05 1 117 23 23 GLN H H 8.234 0.05 1 118 23 23 GLN HA H 3.602 0.05 1 119 23 23 GLN HB2 H 2.002 0.05 2 120 23 23 GLN HB3 H 2.069 0.05 2 121 23 23 GLN HE21 H 6.767 0.05 2 122 23 23 GLN HE22 H 7.152 0.05 2 123 23 23 GLN HG2 H 2.063 0.05 2 124 23 23 GLN HG3 H 2.224 0.05 2 125 23 23 GLN C C 177.427 0.05 1 126 23 23 GLN CA C 60.031 0.05 1 127 23 23 GLN CB C 28.614 0.05 1 128 23 23 GLN CG C 34.413 0.05 1 129 23 23 GLN N N 119.441 0.05 1 130 23 23 GLN NE2 N 111.803 0.05 1 131 24 24 LYS H H 7.679 0.05 1 132 24 24 LYS HA H 3.867 0.05 1 133 24 24 LYS HB2 H 1.794 0.05 2 134 24 24 LYS HB3 H 1.845 0.05 2 135 24 24 LYS HD2 H 1.6 0.05 2 136 24 24 LYS HD3 H 1.6 0.05 2 137 24 24 LYS HE2 H 2.886 0.05 2 138 24 24 LYS HE3 H 2.89 0.05 2 139 24 24 LYS HG2 H 1.407 0.05 2 140 24 24 LYS HG3 H 1.567 0.05 2 141 24 24 LYS C C 179.287 0.05 1 142 24 24 LYS CA C 59.325 0.05 1 143 24 24 LYS CB C 32.037 0.05 1 144 24 24 LYS CD C 29.107 0.05 1 145 24 24 LYS CE C 42.102 0.05 1 146 24 24 LYS CG C 25.198 0.05 1 147 24 24 LYS N N 115.81 0.05 1 148 25 25 ASP H H 6.99 0.05 1 149 25 25 ASP HA H 4.29 0.05 1 150 25 25 ASP HB2 H 2.79 0.05 2 151 25 25 ASP HB3 H 2.72 0.05 2 152 25 25 ASP C C 177.4 0.05 1 153 25 25 ASP CA C 55.4 0.05 1 154 25 25 ASP CB C 42.8 0.05 1 155 25 25 ASP N N 120.5 0.05 1 156 26 26 SER H H 7.95 0.05 1 157 26 26 SER HA H 3.97 0.05 1 158 26 26 SER HB2 H 3.97 0.05 2 159 26 26 SER HB3 H 3.97 0.05 2 160 26 26 SER C C 170.3 0.05 1 161 26 26 SER CA C 62.3 0.05 1 162 26 26 SER CB C 62.3 0.05 1 163 26 26 SER N N 118.5 0.05 1 164 27 27 ALA H H 8.532 0.05 1 165 27 27 ALA HA H 3.853 0.05 1 166 27 27 ALA HB H 1.519 0.05 1 167 27 27 ALA C C 179.46 0.05 1 168 27 27 ALA CA C 54.953 0.05 1 169 27 27 ALA CB C 18.944 0.05 1 170 27 27 ALA N N 121.534 0.05 1 171 28 28 PRO HA H 3.804 0.05 1 172 28 28 PRO HB2 H 1.345 0.05 2 173 28 28 PRO HB3 H 1.34 0.05 2 174 28 28 PRO HD2 H 3.693 0.05 2 175 28 28 PRO HD3 H 3.693 0.05 2 176 28 28 PRO HG2 H 1.743 0.05 2 177 28 28 PRO HG3 H 1.736 0.05 2 178 28 28 PRO C C 176.937 0.05 1 179 28 28 PRO CA C 62.1 0.05 1 180 28 28 PRO CB C 32.367 0.05 1 181 28 28 PRO CD C 50.923 0.05 1 182 28 28 PRO CG C 26.687 0.05 1 183 29 29 ALA H H 7.93 0.05 1 184 29 29 ALA HA H 4.415 0.05 1 185 29 29 ALA HB H 1.501 0.05 1 186 29 29 ALA C C 179.375 0.05 1 187 29 29 ALA CA C 52.124 0.05 1 188 29 29 ALA CB C 19.03 0.05 1 189 29 29 ALA N N 129.62 0.05 1 190 30 30 ALA H H 7.744 0.05 1 191 30 30 ALA HA H 5.564 0.05 1 192 30 30 ALA HB H 1.253 0.05 1 193 30 30 ALA C C 174.724 0.05 1 194 30 30 ALA CA C 51.764 0.05 1 195 30 30 ALA CB C 22.013 0.05 1 196 30 30 ALA N N 115.326 0.05 1 197 31 31 SER H H 7.26 0.05 1 198 31 31 SER HA H 4.41 0.05 1 199 31 31 SER HB2 H 3.87 0.05 2 200 31 31 SER HB3 H 3.51 0.05 2 201 31 31 SER C C 172.7 0.05 1 202 31 31 SER CA C 55.7 0.05 1 203 31 31 SER CB C 65.5 0.05 1 204 31 31 SER N N 110.9 0.05 1 205 32 32 ALA H H 6.977 0.05 1 206 32 32 ALA HA H 4.289 0.05 1 207 32 32 ALA HB H 1.444 0.05 1 208 32 32 ALA C C 179.007 0.05 1 209 32 32 ALA CA C 54.335 0.05 1 210 32 32 ALA CB C 18.438 0.05 1 211 32 32 ALA N N 123.503 0.05 1 212 33 33 SER H H 8.52 0.05 1 213 33 33 SER HA H 4.43 0.05 1 214 33 33 SER HB2 H 3.84 0.05 2 215 33 33 SER HB3 H 3.84 0.05 2 216 33 33 SER C C 174.8 0.05 1 217 33 33 SER CA C 58.3 0.05 1 218 33 33 SER CB C 63.9 0.05 1 219 33 33 SER N N 120 0.05 1 220 34 34 ALA H H 7.712 0.05 1 221 34 34 ALA HA H 4.175 0.05 1 222 34 34 ALA HB H 1.502 0.05 1 223 34 34 ALA C C 180.087 0.05 1 224 34 34 ALA CA C 54.794 0.05 1 225 34 34 ALA CB C 18.206 0.05 1 226 34 34 ALA N N 119.444 0.05 1 227 35 35 ALA H H 7.629 0.05 1 228 35 35 ALA HA H 3.915 0.05 1 229 35 35 ALA HB H 1.088 0.05 1 230 35 35 ALA C C 178.597 0.05 1 231 35 35 ALA CA C 53.983 0.05 1 232 35 35 ALA CB C 17.735 0.05 1 233 35 35 ALA N N 120.941 0.05 1 234 36 36 ALA H H 7.34 0.05 1 235 36 36 ALA HA H 4.27 0.05 1 236 36 36 ALA HB H 1.15 0.05 1 237 36 36 ALA C C 175.6 0.05 1 238 36 36 ALA CA C 52 0.05 1 239 36 36 ALA CB C 18.8 0.05 1 240 36 36 ALA N N 124.1 0.05 1 241 37 37 ASP H H 8.865 0.05 1 242 37 37 ASP HA H 4.321 0.05 1 243 37 37 ASP HB2 H 2.659 0.05 2 244 37 37 ASP HB3 H 2.659 0.05 2 245 37 37 ASP C C 176.277 0.05 1 246 37 37 ASP CA C 56.447 0.05 1 247 37 37 ASP CB C 40.237 0.05 1 248 37 37 ASP N N 119.844 0.05 1 249 38 38 ASN H H 8.009 0.05 1 250 38 38 ASN HA H 4.812 0.05 1 251 38 38 ASN HB2 H 2.79 0.05 2 252 38 38 ASN HB3 H 2.85 0.05 2 253 38 38 ASN HD21 H 6.862 0.05 2 254 38 38 ASN HD22 H 7.507 0.05 2 255 38 38 ASN C C 175.557 0.05 1 256 38 38 ASN CA C 52.466 0.05 1 257 38 38 ASN CB C 38.189 0.05 1 258 38 38 ASN N N 114.625 0.05 1 259 38 38 ASN ND2 N 112.177 0.05 1 260 39 39 GLY H H 8.061 0.05 1 261 39 39 GLY HA2 H 3.409 0.05 2 262 39 39 GLY HA3 H 4.483 0.05 2 263 39 39 GLY C C 173.297 0.05 1 264 39 39 GLY CA C 46.177 0.05 1 265 39 39 GLY N N 107.073 0.05 1 266 40 40 ALA H H 8.42 0.05 1 267 40 40 ALA HA H 4.73 0.05 1 268 40 40 ALA HB H 1.29 0.05 1 269 40 40 ALA C C 174.2 0.05 1 270 40 40 ALA CA C 51.9 0.05 1 271 40 40 ALA CB C 21.7 0.05 1 272 40 40 ALA N N 126.4 0.05 1 273 41 41 ALA H H 7.807 0.05 1 274 41 41 ALA HA H 4.009 0.05 1 275 41 41 ALA HB H 1.478 0.05 1 276 41 41 ALA C C 180.567 0.05 1 277 41 41 ALA CA C 55.274 0.05 1 278 41 41 ALA CB C 17.723 0.05 1 279 41 41 ALA N N 121.708 0.05 1 280 42 42 LYS H H 7.769 0.05 1 281 42 42 LYS HA H 3.228 0.05 1 282 42 42 LYS HB2 H 1.808 0.05 2 283 42 42 LYS HB3 H 1.815 0.05 2 284 42 42 LYS HD2 H 1.717 0.05 2 285 42 42 LYS HD3 H 1.717 0.05 2 286 42 42 LYS HE2 H 3.002 0.05 2 287 42 42 LYS HE3 H 3.001 0.05 2 288 42 42 LYS HG2 H 1.336 0.05 2 289 42 42 LYS HG3 H 1.336 0.05 2 290 42 42 LYS C C 179.855 0.05 1 291 42 42 LYS CA C 59.059 0.05 1 292 42 42 LYS CB C 31.917 0.05 1 293 42 42 LYS CD C 29.393 0.05 1 294 42 42 LYS CE C 42.375 0.05 1 295 42 42 LYS CG C 24.915 0.05 1 296 42 42 LYS N N 116.078 0.05 1 297 43 43 LYS H H 8.113 0.05 1 298 43 43 LYS HA H 3.339 0.05 1 299 43 43 LYS HB2 H 1.598 0.05 2 300 43 43 LYS HB3 H 1.598 0.05 2 301 43 43 LYS HD2 H 1.282 0.05 2 302 43 43 LYS HD3 H 1.282 0.05 2 303 43 43 LYS HE2 H 2.544 0.05 2 304 43 43 LYS HE3 H 2.616 0.05 2 305 43 43 LYS HG2 H 0.781 0.05 2 306 43 43 LYS HG3 H 1.052 0.05 2 307 43 43 LYS C C 179.137 0.05 1 308 43 43 LYS CA C 59.152 0.05 1 309 43 43 LYS CB C 32.237 0.05 1 310 43 43 LYS CD C 29.367 0.05 1 311 43 43 LYS CE C 41.844 0.05 1 312 43 43 LYS CG C 25.617 0.05 1 313 43 43 LYS N N 119.228 0.05 1 314 44 44 GLU H H 8.289 0.05 1 315 44 44 GLU HA H 3.808 0.05 1 316 44 44 GLU HB2 H 1.935 0.05 2 317 44 44 GLU HB3 H 2.045 0.05 2 318 44 44 GLU HG2 H 2.2 0.05 2 319 44 44 GLU HG3 H 2.232 0.05 2 320 44 44 GLU C C 179.597 0.05 1 321 44 44 GLU CA C 59.181 0.05 1 322 44 44 GLU CB C 29.003 0.05 1 323 44 44 GLU CG C 36.073 0.05 1 324 44 44 GLU N N 117.922 0.05 1 325 45 45 ILE H H 7.876 0.05 1 326 45 45 ILE HA H 3.423 0.05 1 327 45 45 ILE HB H 1.438 0.05 1 328 45 45 ILE HD1 H -0.238 0.05 1 329 45 45 ILE HG12 H 0.078 0.05 2 330 45 45 ILE HG13 H 0.523 0.05 2 331 45 45 ILE HG2 H 0.613 0.05 1 332 45 45 ILE C C 178.047 0.05 1 333 45 45 ILE CA C 62.716 0.05 1 334 45 45 ILE CB C 35.088 0.05 1 335 45 45 ILE CD1 C 8.171 0.05 1 336 45 45 ILE CG1 C 26.264 0.05 1 337 45 45 ILE CG2 C 17.199 0.05 1 338 45 45 ILE N N 120.238 0.05 1 339 46 46 VAL H H 7.732 0.05 1 340 46 46 VAL HA H 3.742 0.05 1 341 46 46 VAL HB H 1.836 0.05 1 342 46 46 VAL HG1 H 0.806 0.05 2 343 46 46 VAL HG2 H 1.063 0.05 2 344 46 46 VAL C C 178.327 0.05 1 345 46 46 VAL CA C 66.473 0.05 1 346 46 46 VAL CB C 31.638 0.05 1 347 46 46 VAL CG1 C 22.753 0.05 2 348 46 46 VAL CG2 C 22.545 0.05 2 349 46 46 VAL N N 119.695 0.05 1 350 47 47 PHE H H 8.233 0.05 1 351 47 47 PHE HA H 4.644 0.05 1 352 47 47 PHE HB2 H 3.464 0.05 2 353 47 47 PHE HB3 H 3.111 0.05 2 354 47 47 PHE HD1 H 7.312 0.05 3 355 47 47 PHE HD2 H 7.312 0.05 3 356 47 47 PHE HE1 H 7.23 0.05 3 357 47 47 PHE HE2 H 7.23 0.05 3 358 47 47 PHE HZ H 7.04 0.05 1 359 47 47 PHE C C 175.034 0.05 1 360 47 47 PHE CA C 57.685 0.05 1 361 47 47 PHE CB C 37.726 0.05 1 362 47 47 PHE CD1 C 131.7 0.05 3 363 47 47 PHE CD2 C 131.7 0.05 3 364 47 47 PHE CE1 C 130.8 0.05 3 365 47 47 PHE CE2 C 130.8 0.05 3 366 47 47 PHE CZ C 128.7 0.05 1 367 47 47 PHE N N 115.245 0.05 1 368 48 48 GLY H H 9.023 0.05 1 369 48 48 GLY HA2 H 4.208 0.05 2 370 48 48 GLY HA3 H 3.902 0.05 2 371 48 48 GLY C C 178.715 0.05 1 372 48 48 GLY CA C 45.979 0.05 1 373 48 48 GLY N N 111.05 0.05 1 374 49 49 THR H H 8.882 0.05 1 375 49 49 THR HA H 3.74 0.05 1 376 49 49 THR HB H 4.471 0.05 1 377 49 49 THR HG2 H 1.264 0.05 1 378 49 49 THR C C 175.327 0.05 1 379 49 49 THR CA C 67.711 0.05 1 380 49 49 THR CB C 68.716 0.05 1 381 49 49 THR CG2 C 20.97 0.05 1 382 49 49 THR N N 120.788 0.05 1 383 50 50 THR H H 8.462 0.05 1 384 50 50 THR HA H 5.344 0.05 1 385 50 50 THR HB H 4.531 0.05 1 386 50 50 THR HG2 H 1.43 0.05 1 387 50 50 THR C C 173.807 0.05 1 388 50 50 THR CA C 59.36 0.05 1 389 50 50 THR CB C 70.942 0.05 1 390 50 50 THR CG2 C 26.331 0.05 1 391 50 50 THR N N 109.835 0.05 1 392 51 51 VAL H H 9.337 0.05 1 393 51 51 VAL HA H 4.732 0.05 1 394 51 51 VAL HB H 1.959 0.05 1 395 51 51 VAL HG1 H 1.012 0.05 2 396 51 51 VAL HG2 H 0.905 0.05 2 397 51 51 VAL C C 174.302 0.05 1 398 51 51 VAL CA C 61.05 0.05 1 399 51 51 VAL CB C 33.18 0.05 1 400 51 51 VAL CG1 C 21.53 0.05 2 401 51 51 VAL CG2 C 22.589 0.05 2 402 51 51 VAL N N 128.925 0.05 1 403 52 52 GLY H H 9.061 0.05 1 404 52 52 GLY HA2 H 3.83 0.05 2 405 52 52 GLY HA3 H 4.964 0.05 2 406 52 52 GLY C C 171.267 0.05 1 407 52 52 GLY CA C 44.771 0.05 1 408 52 52 GLY N N 113.775 0.05 1 409 53 53 ASP H H 8.16 0.05 1 410 53 53 ASP HA H 4.19 0.05 1 411 53 53 ASP HB2 H 2.65 0.05 2 412 53 53 ASP HB3 H 2.65 0.05 2 413 53 53 ASP C C 176.9 0.05 1 414 53 53 ASP CA C 57.3 0.05 1 415 53 53 ASP CB C 41.1 0.05 1 416 53 53 ASP N N 120.6 0.05 1 417 54 54 PHE H H 7.697 0.05 1 418 54 54 PHE HA H 3.813 0.05 1 419 54 54 PHE HB2 H 3.241 0.05 2 420 54 54 PHE HB3 H 2.326 0.05 2 421 54 54 PHE HD1 H 6.081 0.05 3 422 54 54 PHE HD2 H 6.081 0.05 3 423 54 54 PHE HE1 H 6.647 0.05 3 424 54 54 PHE HE2 H 6.647 0.05 3 425 54 54 PHE HZ H 6.98 0.05 1 426 54 54 PHE C C 177.358 0.05 1 427 54 54 PHE CA C 63.037 0.05 1 428 54 54 PHE CB C 40.617 0.05 1 429 54 54 PHE CD1 C 132.5 0.05 3 430 54 54 PHE CD2 C 132.5 0.05 3 431 54 54 PHE CE1 C 130.9 0.05 3 432 54 54 PHE CE2 C 130.9 0.05 3 433 54 54 PHE CZ C 128.6 0.05 1 434 54 54 PHE N N 120.977 0.05 1 435 55 55 GLY H H 7.82 0.05 1 436 55 55 GLY HA2 H 4.11 0.05 2 437 55 55 GLY HA3 H 3.9 0.05 2 438 55 55 GLY C C 173.1 0.05 1 439 55 55 GLY CA C 45.9 0.05 1 440 55 55 GLY N N 109.1 0.05 1 441 56 56 ASP H H 8.01 0.05 1 442 56 56 ASP HA H 4.59 0.05 1 443 56 56 ASP HB2 H 3.04 0.05 2 444 56 56 ASP HB3 H 2.95 0.05 2 445 56 56 ASP C C 175.6 0.05 1 446 56 56 ASP CA C 52.9 0.05 1 447 56 56 ASP CB C 42.4 0.05 1 448 56 56 ASP N N 117.9 0.05 1 449 57 57 MET H H 8.43 0.05 1 450 57 57 MET HA H 4.568 0.05 1 451 57 57 MET HB2 H 2.794 0.05 2 452 57 57 MET HB3 H 1.629 0.05 2 453 57 57 MET HE H 1.926 0.05 1 454 57 57 MET HG2 H 2.627 0.05 2 455 57 57 MET HG3 H 2.475 0.05 2 456 57 57 MET C C 175.972 0.05 1 457 57 57 MET CA C 55.189 0.05 1 458 57 57 MET CB C 38.4 0.05 1 459 57 57 MET CE C 15.704 0.05 1 460 57 57 MET CG C 30.974 0.05 1 461 57 57 MET N N 120.649 0.05 1 462 58 58 VAL H H 8.63 0.05 1 463 58 58 VAL HA H 3.44 0.05 1 464 58 58 VAL HB H 1.93 0.05 1 465 58 58 VAL HG1 H 0.63 0.05 2 466 58 58 VAL HG2 H 0.76 0.05 2 467 58 58 VAL C C 178.7 0.05 1 468 58 58 VAL CA C 66.5 0.05 1 469 58 58 VAL CB C 31.4 0.05 1 470 58 58 VAL CG1 C 23 0.05 2 471 58 58 VAL CG2 C 21.7 0.05 2 472 58 58 VAL N N 121.5 0.05 1 473 59 59 LYS H H 7.8 0.05 1 474 59 59 LYS HA H 3.97 0.05 1 475 59 59 LYS HB2 H 1.93 0.05 2 476 59 59 LYS HB3 H 1.72 0.05 2 477 59 59 LYS HD2 H 1.72 0.05 2 478 59 59 LYS HD3 H 1.72 0.05 2 479 59 59 LYS HE2 H 3.03 0.05 2 480 59 59 LYS HE3 H 3.03 0.05 2 481 59 59 LYS HG2 H 1.38 0.05 2 482 59 59 LYS HG3 H 1.38 0.05 2 483 59 59 LYS C C 179.6 0.05 1 484 59 59 LYS CA C 60 0.05 1 485 59 59 LYS CB C 32.9 0.05 1 486 59 59 LYS CD C 29.9 0.05 1 487 59 59 LYS CE C 42.6 0.05 1 488 59 59 LYS CG C 26.9 0.05 1 489 59 59 LYS N N 118.5 0.05 1 490 60 60 GLU H H 7.925 0.05 1 491 60 60 GLU HA H 4.101 0.05 1 492 60 60 GLU HB2 H 2.21 0.05 2 493 60 60 GLU HB3 H 2.228 0.05 2 494 60 60 GLU HG2 H 2.345 0.05 2 495 60 60 GLU HG3 H 2.469 0.05 2 496 60 60 GLU C C 178.617 0.05 1 497 60 60 GLU CA C 59.218 0.05 1 498 60 60 GLU CB C 31.527 0.05 1 499 60 60 GLU CG C 36.947 0.05 1 500 60 60 GLU N N 117.742 0.05 1 501 61 61 GLN H H 7.183 0.05 1 502 61 61 GLN HA H 4.74 0.05 1 503 61 61 GLN HB2 H 2.304 0.05 2 504 61 61 GLN HB3 H 2.13 0.05 2 505 61 61 GLN HE21 H 7.545 0.05 2 506 61 61 GLN HE22 H 6.936 0.05 2 507 61 61 GLN HG2 H 2.456 0.05 2 508 61 61 GLN HG3 H 2.456 0.05 2 509 61 61 GLN C C 175.004 0.05 1 510 61 61 GLN CA C 54.466 0.05 1 511 61 61 GLN CB C 29.873 0.05 1 512 61 61 GLN CG C 34.024 0.05 1 513 61 61 GLN N N 114.473 0.05 1 514 61 61 GLN NE2 N 112.049 0.05 1 515 62 62 ILE H H 8.756 0.05 1 516 62 62 ILE HA H 4.661 0.05 1 517 62 62 ILE HB H 1.471 0.05 1 518 62 62 ILE HD1 H 0.617 0.05 1 519 62 62 ILE HG12 H 1.117 0.05 2 520 62 62 ILE HG13 H 1.51 0.05 2 521 62 62 ILE HG2 H 0.542 0.05 1 522 62 62 ILE C C 175.197 0.05 1 523 62 62 ILE CA C 58.951 0.05 1 524 62 62 ILE CB C 36.096 0.05 1 525 62 62 ILE CD1 C 10.612 0.05 1 526 62 62 ILE CG1 C 27.187 0.05 1 527 62 62 ILE CG2 C 16.583 0.05 1 528 62 62 ILE N N 132.323 0.05 1 529 63 63 GLN H H 9.34 0.05 1 530 63 63 GLN HA H 4.77 0.05 1 531 63 63 GLN HB2 H 2.09 0.05 2 532 63 63 GLN HB3 H 2.09 0.05 2 533 63 63 GLN HE21 H 7.16 0.05 2 534 63 63 GLN HE22 H 6.88 0.05 2 535 63 63 GLN HG2 H 2.4 0.05 2 536 63 63 GLN HG3 H 2.09 0.05 2 537 63 63 GLN C C 173.1 0.05 1 538 63 63 GLN CA C 54.4 0.05 1 539 63 63 GLN CB C 28.5 0.05 1 540 63 63 GLN CG C 33.5 0.05 1 541 63 63 GLN N N 129.4 0.05 1 542 63 63 GLN NE2 N 109.6 0.05 1 543 64 64 ALA H H 8.306 0.05 1 544 64 64 ALA HA H 4.224 0.05 1 545 64 64 ALA HB H 1.396 0.05 1 546 64 64 ALA C C 180.287 0.05 1 547 64 64 ALA CA C 55.105 0.05 1 548 64 64 ALA CB C 18.281 0.05 1 549 64 64 ALA N N 120.388 0.05 1 550 65 65 GLU H H 8.145 0.05 1 551 65 65 GLU HA H 4.239 0.05 1 552 65 65 GLU HB2 H 2.038 0.05 2 553 65 65 GLU HB3 H 1.891 0.05 2 554 65 65 GLU HG2 H 2.373 0.05 2 555 65 65 GLU HG3 H 2.357 0.05 2 556 65 65 GLU C C 176.239 0.05 1 557 65 65 GLU CA C 55.509 0.05 1 558 65 65 GLU CB C 30.706 0.05 1 559 65 65 GLU CG C 36.145 0.05 1 560 65 65 GLU N N 118.552 0.05 1 561 66 66 LEU H H 7.668 0.05 1 562 66 66 LEU HA H 5.452 0.05 1 563 66 66 LEU HB2 H 2.158 0.05 2 564 66 66 LEU HB3 H 1.221 0.05 2 565 66 66 LEU HD1 H 1.009 0.05 2 566 66 66 LEU HD2 H 1.039 0.05 2 567 66 66 LEU HG H 1.896 0.05 1 568 66 66 LEU C C 175.727 0.05 1 569 66 66 LEU CA C 54.115 0.05 1 570 66 66 LEU CB C 44.498 0.05 1 571 66 66 LEU CD1 C 25.913 0.05 2 572 66 66 LEU CD2 C 25.441 0.05 2 573 66 66 LEU CG C 28.042 0.05 1 574 66 66 LEU N N 118.784 0.05 1 575 67 67 GLU H H 9.36 0.05 1 576 67 67 GLU HA H 3.83 0.05 1 577 67 67 GLU HB2 H 2.06 0.05 2 578 67 67 GLU HB3 H 2.06 0.05 2 579 67 67 GLU HG2 H 2.3 0.05 2 580 67 67 GLU HG3 H 2.3 0.05 2 581 67 67 GLU C C 179 0.05 1 582 67 67 GLU CA C 60.4 0.05 1 583 67 67 GLU CB C 29.4 0.05 1 584 67 67 GLU CG C 36.6 0.05 1 585 67 67 GLU N N 119.3 0.05 1 586 68 68 LYS H H 8.239 0.05 1 587 68 68 LYS HA H 4.941 0.05 1 588 68 68 LYS HB2 H 1.758 0.05 2 589 68 68 LYS HB3 H 1.651 0.05 2 590 68 68 LYS HD2 H 1.687 0.05 2 591 68 68 LYS HD3 H 1.566 0.05 2 592 68 68 LYS HE2 H 2.883 0.05 2 593 68 68 LYS HE3 H 2.83 0.05 2 594 68 68 LYS HG2 H 1.606 0.05 2 595 68 68 LYS HG3 H 1.221 0.05 2 596 68 68 LYS C C 174.387 0.05 1 597 68 68 LYS CA C 54.729 0.05 1 598 68 68 LYS CB C 37.346 0.05 1 599 68 68 LYS CD C 30.408 0.05 1 600 68 68 LYS CE C 42.146 0.05 1 601 68 68 LYS CG C 25.838 0.05 1 602 68 68 LYS N N 126.643 0.05 1 603 69 69 LYS H H 7.327 0.05 1 604 69 69 LYS HA H 4.239 0.05 1 605 69 69 LYS HB2 H 1.871 0.05 2 606 69 69 LYS HB3 H 1.912 0.05 2 607 69 69 LYS HD2 H 1.649 0.05 2 608 69 69 LYS HD3 H 1.649 0.05 2 609 69 69 LYS HE2 H 2.95 0.05 2 610 69 69 LYS HE3 H 2.95 0.05 2 611 69 69 LYS HG2 H 1.563 0.05 2 612 69 69 LYS HG3 H 1.563 0.05 2 613 69 69 LYS C C 176.817 0.05 1 614 69 69 LYS CA C 56.947 0.05 1 615 69 69 LYS CB C 33.045 0.05 1 616 69 69 LYS CD C 29.241 0.05 1 617 69 69 LYS CE C 42.017 0.05 1 618 69 69 LYS CG C 24.777 0.05 1 619 69 69 LYS N N 115.922 0.05 1 620 70 70 GLY H H 7.693 0.05 1 621 70 70 GLY HA2 H 4.032 0.05 2 622 70 70 GLY HA3 H 4.13 0.05 2 623 70 70 GLY C C 172.597 0.05 1 624 70 70 GLY CA C 43.797 0.05 1 625 70 70 GLY N N 110.156 0.05 1 626 71 71 TYR H H 8.758 0.05 1 627 71 71 TYR HA H 4.882 0.05 1 628 71 71 TYR HB2 H 2.537 0.05 2 629 71 71 TYR HB3 H 1.437 0.05 2 630 71 71 TYR HD1 H 6.737 0.05 3 631 71 71 TYR HD2 H 6.737 0.05 3 632 71 71 TYR C C 171.166 0.05 1 633 71 71 TYR CA C 56.311 0.05 1 634 71 71 TYR CB C 40.947 0.05 1 635 71 71 TYR CD1 C 128.4 0.05 3 636 71 71 TYR CD2 C 128.559 0.05 3 637 71 71 TYR N N 123.182 0.05 1 638 72 72 THR H H 8.575 0.05 1 639 72 72 THR HA H 4.091 0.05 1 640 72 72 THR HB H 4.144 0.05 1 641 72 72 THR HG2 H 1.264 0.05 1 642 72 72 THR C C 173.523 0.05 1 643 72 72 THR CA C 64.514 0.05 1 644 72 72 THR CB C 69.175 0.05 1 645 72 72 THR CG2 C 21.929 0.05 1 646 72 72 THR N N 122.76 0.05 1 647 73 73 VAL H H 8.46 0.05 1 648 73 73 VAL HA H 4.154 0.05 1 649 73 73 VAL HB H 2.047 0.05 1 650 73 73 VAL HG1 H 0.924 0.05 2 651 73 73 VAL HG2 H 0.836 0.05 2 652 73 73 VAL C C 176.316 0.05 1 653 73 73 VAL CA C 61.834 0.05 1 654 73 73 VAL CB C 33.693 0.05 1 655 73 73 VAL CG1 C 22.664 0.05 2 656 73 73 VAL CG2 C 21.39 0.05 2 657 73 73 VAL N N 127.006 0.05 1 658 74 74 LYS H H 7.432 0.05 1 659 74 74 LYS HA H 3.956 0.05 1 660 74 74 LYS HB2 H 1.763 0.05 2 661 74 74 LYS HB3 H 1.728 0.05 2 662 74 74 LYS HD2 H 1.495 0.05 2 663 74 74 LYS HD3 H 1.409 0.05 2 664 74 74 LYS HE2 H 2.699 0.05 2 665 74 74 LYS HE3 H 2.66 0.05 2 666 74 74 LYS HG2 H 1.338 0.05 2 667 74 74 LYS HG3 H 1.284 0.05 2 668 74 74 LYS C C 178.373 0.05 1 669 74 74 LYS CA C 59.225 0.05 1 670 74 74 LYS CB C 32.705 0.05 1 671 74 74 LYS CD C 29.045 0.05 1 672 74 74 LYS CE C 42.026 0.05 1 673 74 74 LYS CG C 24.777 0.05 1 674 74 74 LYS N N 123.012 0.05 1 675 75 75 LEU H H 7.857 0.05 1 676 75 75 LEU HA H 3.99 0.05 1 677 75 75 LEU HB2 H 1.426 0.05 2 678 75 75 LEU HB3 H 1.75 0.05 2 679 75 75 LEU HD1 H 0.756 0.05 2 680 75 75 LEU HD2 H 0.781 0.05 2 681 75 75 LEU HG H 1.655 0.05 1 682 75 75 LEU C C 179.137 0.05 1 683 75 75 LEU CA C 57.594 0.05 1 684 75 75 LEU CB C 41.826 0.05 1 685 75 75 LEU CD1 C 22.976 0.05 2 686 75 75 LEU CD2 C 25.181 0.05 2 687 75 75 LEU CG C 27.426 0.05 1 688 75 75 LEU N N 117.457 0.05 1 689 76 76 VAL H H 7.3 0.05 1 690 76 76 VAL HA H 4.66 0.05 1 691 76 76 VAL HB H 2.34 0.05 1 692 76 76 VAL HG1 H 0.8 0.05 2 693 76 76 VAL HG2 H 0.7 0.05 2 694 76 76 VAL C C 175.6 0.05 1 695 76 76 VAL CA C 61 0.05 1 696 76 76 VAL CB C 32.6 0.05 1 697 76 76 VAL CG1 C 21.6 0.05 2 698 76 76 VAL CG2 C 19.8 0.05 2 699 76 76 VAL N N 111.8 0.05 1 700 77 77 GLU H H 8.21 0.05 1 701 77 77 GLU HA H 4.21 0.05 1 702 77 77 GLU HB2 H 1.95 0.05 2 703 77 77 GLU HB3 H 1.96 0.05 2 704 77 77 GLU HG2 H 2.3 0.05 2 705 77 77 GLU HG3 H 2.3 0.05 2 706 77 77 GLU C C 178.1 0.05 1 707 77 77 GLU CA C 58.9 0.05 1 708 77 77 GLU CB C 29.1 0.05 1 709 77 77 GLU CG C 36 0.05 1 710 77 77 GLU N N 124.9 0.05 1 711 78 78 PHE H H 8.985 0.05 1 712 78 78 PHE HA H 4.408 0.05 1 713 78 78 PHE HB2 H 2.109 0.05 2 714 78 78 PHE HB3 H 2.957 0.05 2 715 78 78 PHE HD1 H 7.17 0.05 3 716 78 78 PHE HD2 H 7.17 0.05 3 717 78 78 PHE HE1 H 7.447 0.05 3 718 78 78 PHE HE2 H 7.447 0.05 3 719 78 78 PHE C C 174.187 0.05 1 720 78 78 PHE CA C 59.822 0.05 1 721 78 78 PHE CB C 39.687 0.05 1 722 78 78 PHE CD1 C 131.062 0.05 3 723 78 78 PHE CD2 C 131.062 0.05 3 724 78 78 PHE CE1 C 131.847 0.05 3 725 78 78 PHE CE2 C 131.847 0.05 3 726 78 78 PHE N N 122.176 0.05 1 727 79 79 THR H H 7.31 0.05 1 728 79 79 THR HA H 4.1 0.05 1 729 79 79 THR HB H 4.46 0.05 1 730 79 79 THR HG2 H 1.21 0.05 1 731 79 79 THR C C 175 0.05 1 732 79 79 THR CA C 61.4 0.05 1 733 79 79 THR CB C 69 0.05 1 734 79 79 THR CG2 C 22.5 0.05 1 735 79 79 THR N N 104.4 0.05 1 736 80 80 ASP H H 9.57 0.05 1 737 80 80 ASP HA H 4.585 0.05 1 738 80 80 ASP HB2 H 2.736 0.05 2 739 80 80 ASP HB3 H 2.66 0.05 2 740 80 80 ASP C C 179.573 0.05 1 741 80 80 ASP CA C 58.642 0.05 1 742 80 80 ASP CB C 39.573 0.05 1 743 80 80 ASP N N 123.125 0.05 1 744 81 81 TYR H H 8.676 0.05 1 745 81 81 TYR HA H 4.407 0.05 1 746 81 81 TYR HB2 H 3.844 0.05 2 747 81 81 TYR HB3 H 3.238 0.05 2 748 81 81 TYR HD1 H 7.01 0.05 3 749 81 81 TYR HD2 H 7.01 0.05 3 750 81 81 TYR HE1 H 6.558 0.05 3 751 81 81 TYR HE2 H 6.551 0.05 3 752 81 81 TYR C C 178.967 0.05 1 753 81 81 TYR CA C 61.753 0.05 1 754 81 81 TYR CB C 39.093 0.05 1 755 81 81 TYR CD1 C 132.55 0.05 3 756 81 81 TYR CD2 C 132.55 0.05 3 757 81 81 TYR CE1 C 117.703 0.05 3 758 81 81 TYR CE2 C 117.703 0.05 3 759 81 81 TYR N N 123.514 0.05 1 760 82 82 VAL H H 8.675 0.05 1 761 82 82 VAL HA H 3.87 0.05 1 762 82 82 VAL HB H 1.851 0.05 1 763 82 82 VAL HG1 H 0.611 0.05 2 764 82 82 VAL HG2 H 0.708 0.05 2 765 82 82 VAL C C 173.165 0.05 1 766 82 82 VAL CA C 62.376 0.05 1 767 82 82 VAL CB C 32.598 0.05 1 768 82 82 VAL CG1 C 22.522 0.05 2 769 82 82 VAL CG2 C 21.313 0.05 2 770 82 82 VAL N N 124.975 0.05 1 771 83 83 ARG H H 8.278 0.05 1 772 83 83 ARG HA H 4.195 0.05 1 773 83 83 ARG HB2 H 2.271 0.05 2 774 83 83 ARG HB3 H 2.158 0.05 2 775 83 83 ARG HD2 H 3.485 0.05 2 776 83 83 ARG HD3 H 3.485 0.05 2 777 83 83 ARG HE H 7.266 0.05 1 778 83 83 ARG HG2 H 1.999 0.05 2 779 83 83 ARG HG3 H 1.694 0.05 2 780 83 83 ARG C C 176.223 0.05 1 781 83 83 ARG CA C 60.987 0.05 1 782 83 83 ARG CB C 30.803 0.05 1 783 83 83 ARG CD C 44.604 0.05 1 784 83 83 ARG CG C 28.579 0.05 1 785 83 83 ARG N N 124.261 0.05 1 786 83 83 ARG NE N 83.228 0.05 1 787 84 84 PRO HA H 4.268 0.05 1 788 84 84 PRO HB2 H 2.384 0.05 2 789 84 84 PRO HB3 H 1.965 0.05 2 790 84 84 PRO HD2 H 3.984 0.05 2 791 84 84 PRO HD3 H 3.753 0.05 2 792 84 84 PRO HG2 H 2.213 0.05 2 793 84 84 PRO HG3 H 2.102 0.05 2 794 84 84 PRO C C 178.487 0.05 1 795 84 84 PRO CA C 65.115 0.05 1 796 84 84 PRO CB C 31.541 0.05 1 797 84 84 PRO CD C 50.51 0.05 1 798 84 84 PRO CG C 27.995 0.05 1 799 85 85 ASN H H 9.03 0.05 1 800 85 85 ASN HA H 4.61 0.05 1 801 85 85 ASN HB2 H 2.69 0.05 2 802 85 85 ASN HB3 H 2.69 0.05 2 803 85 85 ASN HD21 H 7.81 0.05 2 804 85 85 ASN HD22 H 6.86 0.05 2 805 85 85 ASN C C 175.9 0.05 1 806 85 85 ASN CA C 52.2 0.05 1 807 85 85 ASN CB C 41.1 0.05 1 808 85 85 ASN N N 118.2 0.05 1 809 85 85 ASN ND2 N 113.2 0.05 1 810 86 86 LEU H H 8.452 0.05 1 811 86 86 LEU HA H 3.714 0.05 1 812 86 86 LEU HB2 H 1.51 0.05 2 813 86 86 LEU HB3 H 1.635 0.05 2 814 86 86 LEU HD1 H 0.804 0.05 2 815 86 86 LEU HD2 H 0.877 0.05 2 816 86 86 LEU HG H 1.626 0.05 1 817 86 86 LEU C C 178.477 0.05 1 818 86 86 LEU CA C 57.892 0.05 1 819 86 86 LEU CB C 42.537 0.05 1 820 86 86 LEU CD1 C 24.617 0.05 2 821 86 86 LEU CD2 C 25.261 0.05 2 822 86 86 LEU CG C 27.612 0.05 1 823 86 86 LEU N N 125.747 0.05 1 824 87 87 ALA H H 8.296 0.05 1 825 87 87 ALA HA H 4.345 0.05 1 826 87 87 ALA HB H 1.554 0.05 1 827 87 87 ALA C C 180.02 0.05 1 828 87 87 ALA CA C 54.047 0.05 1 829 87 87 ALA CB C 19.927 0.05 1 830 87 87 ALA N N 122.792 0.05 1 831 88 88 LEU H H 7.016 0.05 1 832 88 88 LEU HA H 3.825 0.05 1 833 88 88 LEU HB2 H 1.278 0.05 2 834 88 88 LEU HB3 H 1.465 0.05 2 835 88 88 LEU HD1 H 0.196 0.05 2 836 88 88 LEU HD2 H 0.453 0.05 2 837 88 88 LEU HG H 1.159 0.05 1 838 88 88 LEU C C 176.877 0.05 1 839 88 88 LEU CA C 55.068 0.05 1 840 88 88 LEU CB C 43.091 0.05 1 841 88 88 LEU CD1 C 24.282 0.05 2 842 88 88 LEU CD2 C 26.37 0.05 2 843 88 88 LEU CG C 27.558 0.05 1 844 88 88 LEU N N 119.229 0.05 1 845 89 89 ALA H H 9.29 0.05 1 846 89 89 ALA HA H 3.79 0.05 1 847 89 89 ALA HB H 1.63 0.05 1 848 89 89 ALA C C 178.8 0.05 1 849 89 89 ALA CA C 55.9 0.05 1 850 89 89 ALA CB C 18.7 0.05 1 851 89 89 ALA N N 129.5 0.05 1 852 90 90 GLU H H 8.56 0.05 1 853 90 90 GLU HA H 4.01 0.05 1 854 90 90 GLU HB2 H 2.06 0.05 2 855 90 90 GLU HB3 H 2.06 0.05 2 856 90 90 GLU HG2 H 2.39 0.05 2 857 90 90 GLU HG3 H 2.39 0.05 2 858 90 90 GLU C C 179.6 0.05 1 859 90 90 GLU CA C 59.3 0.05 1 860 90 90 GLU CB C 29.1 0.05 1 861 90 90 GLU CG C 36.7 0.05 1 862 90 90 GLU N N 113.3 0.05 1 863 91 91 GLY H H 9.061 0.05 1 864 91 91 GLY HA2 H 3.83 0.05 2 865 91 91 GLY HA3 H 4.964 0.05 2 866 91 91 GLY C C 171.267 0.05 1 867 91 91 GLY CA C 44.771 0.05 1 868 91 91 GLY N N 113.775 0.05 1 869 92 92 GLU H H 8.08 0.05 1 870 92 92 GLU HA H 5.54 0.05 1 871 92 92 GLU HB2 H 1.81 0.05 2 872 92 92 GLU HB3 H 2.09 0.05 2 873 92 92 GLU HG2 H 2.09 0.05 2 874 92 92 GLU HG3 H 2.09 0.05 2 875 92 92 GLU C C 175.9 0.05 1 876 92 92 GLU CA C 54.5 0.05 1 877 92 92 GLU CB C 33 0.05 1 878 92 92 GLU CG C 36.1 0.05 1 879 92 92 GLU N N 117.5 0.05 1 880 93 93 LEU H H 8.9 0.05 1 881 93 93 LEU HA H 5.26 0.05 1 882 93 93 LEU HB2 H 1.72 0.05 2 883 93 93 LEU HB3 H 1.05 0.05 2 884 93 93 LEU HD1 H 0.67 0.05 2 885 93 93 LEU HD2 H 0.6 0.05 2 886 93 93 LEU HG H 1.38 0.05 1 887 93 93 LEU C C 175 0.05 1 888 93 93 LEU CA C 53.3 0.05 1 889 93 93 LEU CB C 44.5 0.05 1 890 93 93 LEU CD1 C 25.3 0.05 2 891 93 93 LEU CD2 C 23.6 0.05 2 892 93 93 LEU CG C 28.7 0.05 1 893 93 93 LEU N N 127.1 0.05 1 894 94 94 ASP H H 8.77 0.05 1 895 94 94 ASP HA H 4.83 0.05 1 896 94 94 ASP HB2 H 2.69 0.05 2 897 94 94 ASP HB3 H 2.41 0.05 2 898 94 94 ASP C C 175.2 0.05 1 899 94 94 ASP CA C 53.2 0.05 1 900 94 94 ASP CB C 43 0.05 1 901 94 94 ASP N N 124.4 0.05 1 902 95 95 ILE H H 7.176 0.05 1 903 95 95 ILE HA H 3.394 0.05 1 904 95 95 ILE HB H 1.6 0.05 1 905 95 95 ILE HD1 H -0.179 0.05 1 906 95 95 ILE HG12 H 1.526 0.05 2 907 95 95 ILE HG13 H 0.253 0.05 2 908 95 95 ILE HG2 H 0.325 0.05 1 909 95 95 ILE C C 176.956 0.05 1 910 95 95 ILE CA C 66.658 0.05 1 911 95 95 ILE CB C 38.31 0.05 1 912 95 95 ILE CD1 C 14.079 0.05 1 913 95 95 ILE CG1 C 29.585 0.05 1 914 95 95 ILE CG2 C 16.465 0.05 1 915 95 95 ILE N N 119.58 0.05 1 916 96 96 ASN H H 8.56 0.05 1 917 96 96 ASN HA H 4.91 0.05 1 918 96 96 ASN HB2 H 2.63 0.05 2 919 96 96 ASN HB3 H 2.53 0.05 2 920 96 96 ASN HD21 H 7.47 0.05 2 921 96 96 ASN HD22 H 6.72 0.05 2 922 96 96 ASN C C 174.2 0.05 1 923 96 96 ASN CA C 52.3 0.05 1 924 96 96 ASN CB C 40.5 0.05 1 925 96 96 ASN N N 118.5 0.05 1 926 96 96 ASN ND2 N 112.4 0.05 1 927 97 97 VAL H H 9.66 0.05 1 928 97 97 VAL HA H 5.31 0.05 1 929 97 97 VAL HB H 2.21 0.05 1 930 97 97 VAL HG1 H 1.01 0.05 2 931 97 97 VAL HG2 H 1.01 0.05 2 932 97 97 VAL C C 175.3 0.05 1 933 97 97 VAL CA C 60.9 0.05 1 934 97 97 VAL CB C 36.1 0.05 1 935 97 97 VAL CG1 C 23.6 0.05 2 936 97 97 VAL CG2 C 22.6 0.05 2 937 97 97 VAL N N 121.2 0.05 1 938 98 98 PHE H H 8.083 0.05 1 939 98 98 PHE HA H 3.474 0.05 1 940 98 98 PHE HB2 H 2.888 0.05 2 941 98 98 PHE HB3 H 3.056 0.05 2 942 98 98 PHE HD1 H 5.964 0.05 3 943 98 98 PHE HD2 H 5.964 0.05 3 944 98 98 PHE HE1 H 6.63 0.05 3 945 98 98 PHE HE2 H 6.63 0.05 3 946 98 98 PHE C C 175.457 0.05 1 947 98 98 PHE CA C 61.099 0.05 1 948 98 98 PHE CB C 39.417 0.05 1 949 98 98 PHE CD1 C 130.56 0.05 3 950 98 98 PHE CD2 C 130.56 0.05 3 951 98 98 PHE CE1 C 130.542 0.05 3 952 98 98 PHE CE2 C 130.542 0.05 3 953 98 98 PHE N N 118.954 0.05 1 954 99 99 GLN H H 7.962 0.05 1 955 99 99 GLN HA H 4.154 0.05 1 956 99 99 GLN HB2 H 2.211 0.05 2 957 99 99 GLN HB3 H 2.165 0.05 2 958 99 99 GLN HE21 H 7.578 0.05 2 959 99 99 GLN HE22 H 6.993 0.05 2 960 99 99 GLN HG2 H 2.47 0.05 2 961 99 99 GLN HG3 H 2.345 0.05 2 962 99 99 GLN C C 176.978 0.05 1 963 99 99 GLN CA C 57.829 0.05 1 964 99 99 GLN CB C 28.424 0.05 1 965 99 99 GLN CG C 34.201 0.05 1 966 99 99 GLN N N 114.602 0.05 1 967 99 99 GLN NE2 N 111.682 0.05 1 968 100 100 HIS HA H 4.291 0.05 1 969 100 100 HIS HB2 H 3.098 0.05 2 970 100 100 HIS HB3 H 3.223 0.05 2 971 100 100 HIS C C 177.357 0.05 1 972 100 100 HIS CA C 59.439 0.05 1 973 100 100 HIS CB C 29.117 0.05 1 974 101 101 LYS H H 7.45 0.05 1 975 101 101 LYS HA H 4.566 0.05 1 976 101 101 LYS HB2 H 2.08 0.05 2 977 101 101 LYS HB3 H 1.969 0.05 2 978 101 101 LYS HD2 H 1.788 0.05 2 979 101 101 LYS HD3 H 1.726 0.05 2 980 101 101 LYS HE2 H 3.046 0.05 2 981 101 101 LYS HE3 H 3.046 0.05 2 982 101 101 LYS HG2 H 1.649 0.05 2 983 101 101 LYS HG3 H 1.566 0.05 2 984 101 101 LYS C C 177.537 0.05 1 985 101 101 LYS CA C 56.89 0.05 1 986 101 101 LYS CB C 34.103 0.05 1 987 101 101 LYS CD C 29.224 0.05 1 988 101 101 LYS CE C 42.281 0.05 1 989 101 101 LYS CG C 25.431 0.05 1 990 101 101 LYS N N 115.28 0.05 1 991 102 102 PRO HA H 5.495 0.05 1 992 102 102 PRO HB2 H 2.088 0.05 2 993 102 102 PRO HB3 H 2.059 0.05 2 994 102 102 PRO HD2 H 4.251 0.05 2 995 102 102 PRO HD3 H 3.815 0.05 2 996 102 102 PRO HG2 H 2.336 0.05 2 997 102 102 PRO HG3 H 1.771 0.05 2 998 102 102 PRO C C 175.687 0.05 1 999 102 102 PRO CA C 60.874 0.05 1 1000 102 102 PRO CB C 32.261 0.05 1 1001 102 102 PRO CD C 51.09 0.05 1 1002 102 102 PRO CG C 27.901 0.05 1 1003 103 103 TYR H H 7.514 0.05 1 1004 103 103 TYR HA H 4.576 0.05 1 1005 103 103 TYR HB2 H 2.767 0.05 2 1006 103 103 TYR HB3 H 3.361 0.05 2 1007 103 103 TYR HD1 H 7.011 0.05 3 1008 103 103 TYR HD2 H 7.011 0.05 3 1009 103 103 TYR HE1 H 6.623 0.05 3 1010 103 103 TYR HE2 H 6.623 0.05 3 1011 103 103 TYR C C 174.897 0.05 1 1012 103 103 TYR CA C 57.656 0.05 1 1013 103 103 TYR CB C 37.987 0.05 1 1014 103 103 TYR CD1 C 133.242 0.05 3 1015 103 103 TYR CD2 C 133.242 0.05 3 1016 103 103 TYR CE1 C 118.59 0.05 3 1017 103 103 TYR CE2 C 118.59 0.05 3 1018 103 103 TYR N N 119.086 0.05 1 1019 104 104 LEU H H 7.838 0.05 1 1020 104 104 LEU HA H 4.071 0.05 1 1021 104 104 LEU HB2 H 1.847 0.05 2 1022 104 104 LEU HB3 H 1.104 0.05 2 1023 104 104 LEU HD1 H 0.902 0.05 2 1024 104 104 LEU HD2 H 1.087 0.05 2 1025 104 104 LEU HG H 1.51 0.05 1 1026 104 104 LEU CA C 57.632 0.05 1 1027 104 104 LEU CB C 41.277 0.05 1 1028 104 104 LEU CD1 C 22.669 0.05 2 1029 104 104 LEU CD2 C 27.027 0.05 2 1030 104 104 LEU CG C 27.223 0.05 1 1031 104 104 LEU N N 121.871 0.05 1 1032 105 105 ASP H H 8.859 0.05 1 1033 105 105 ASP HA H 5.132 0.05 1 1034 105 105 ASP HB2 H 3.182 0.05 2 1035 105 105 ASP HB3 H 2.377 0.05 2 1036 105 105 ASP C C 175.905 0.05 1 1037 105 105 ASP CA C 52.964 0.05 1 1038 105 105 ASP CB C 41.477 0.05 1 1039 105 105 ASP N N 126.152 0.05 1 1040 106 106 ASP H H 8.032 0.05 1 1041 106 106 ASP HA H 4.314 0.05 1 1042 106 106 ASP HB2 H 2.635 0.05 2 1043 106 106 ASP HB3 H 2.784 0.05 2 1044 106 106 ASP C C 179.267 0.05 1 1045 106 106 ASP CA C 57.425 0.05 1 1046 106 106 ASP CB C 41.384 0.05 1 1047 106 106 ASP N N 118.336 0.05 1 1048 107 107 PHE H H 6.44 0.05 1 1049 107 107 PHE HA H 4.841 0.05 1 1050 107 107 PHE HB2 H 3.234 0.05 2 1051 107 107 PHE HB3 H 3.449 0.05 2 1052 107 107 PHE HD1 H 7.064 0.05 3 1053 107 107 PHE HD2 H 7.064 0.05 3 1054 107 107 PHE HE1 H 7.17 0.05 3 1055 107 107 PHE HE2 H 7.17 0.05 3 1056 107 107 PHE C C 172.747 0.05 1 1057 107 107 PHE CA C 54.991 0.05 1 1058 107 107 PHE CB C 39.757 0.05 1 1059 107 107 PHE CD1 C 132.912 0.05 3 1060 107 107 PHE CD2 C 132.912 0.05 3 1061 107 107 PHE CE1 C 130.987 0.05 3 1062 107 107 PHE CE2 C 130.987 0.05 3 1063 107 107 PHE N N 112.863 0.05 1 1064 108 108 LYS H H 7.743 0.05 1 1065 108 108 LYS HA H 3.905 0.05 1 1066 108 108 LYS HB2 H 1.863 0.05 2 1067 108 108 LYS HB3 H 1.862 0.05 2 1068 108 108 LYS HD2 H 1.663 0.05 2 1069 108 108 LYS HD3 H 1.661 0.05 2 1070 108 108 LYS HE2 H 3 0.05 2 1071 108 108 LYS HE3 H 3 0.05 2 1072 108 108 LYS HG2 H 1.572 0.05 2 1073 108 108 LYS HG3 H 1.414 0.05 2 1074 108 108 LYS C C 179.251 0.05 1 1075 108 108 LYS CA C 60.023 0.05 1 1076 108 108 LYS CB C 31.977 0.05 1 1077 108 108 LYS CD C 29.191 0.05 1 1078 108 108 LYS CE C 42.15 0.05 1 1079 108 108 LYS CG C 25.733 0.05 1 1080 108 108 LYS N N 121.625 0.05 1 1081 109 109 LYS H H 8.31 0.05 1 1082 109 109 LYS HA H 3.62 0.05 1 1083 109 109 LYS HB2 H 1.73 0.05 2 1084 109 109 LYS HB3 H 1.73 0.05 2 1085 109 109 LYS HD2 H 1.28 0.05 2 1086 109 109 LYS HD3 H 1.28 0.05 2 1087 109 109 LYS HE2 H 3.29 0.05 2 1088 109 109 LYS HE3 H 3.29 0.05 2 1089 109 109 LYS HG2 H 1 0.05 2 1090 109 109 LYS HG3 H 1 0.05 2 1091 109 109 LYS C C 179 0.05 1 1092 109 109 LYS CA C 61.4 0.05 1 1093 109 109 LYS CB C 32 0.05 1 1094 109 109 LYS CD C 29.6 0.05 1 1095 109 109 LYS CE C 41.6 0.05 1 1096 109 109 LYS CG C 26 0.05 1 1097 109 109 LYS N N 119.5 0.05 1 1098 110 110 GLU H H 7.37 0.05 1 1099 110 110 GLU HA H 4.27 0.05 1 1100 110 110 GLU HB2 H 2.01 0.05 2 1101 110 110 GLU HB3 H 2.24 0.05 2 1102 110 110 GLU HG2 H 2.42 0.05 2 1103 110 110 GLU HG3 H 2.42 0.05 2 1104 110 110 GLU C C 179 0.05 1 1105 110 110 GLU CA C 59.8 0.05 1 1106 110 110 GLU CB C 29.9 0.05 1 1107 110 110 GLU CG C 37.9 0.05 1 1108 110 110 GLU N N 118.5 0.05 1 1109 111 111 HIS H H 7.747 0.05 1 1110 111 111 HIS HA H 4.367 0.05 1 1111 111 111 HIS HB2 H 3.306 0.05 2 1112 111 111 HIS HB3 H 3.359 0.05 2 1113 111 111 HIS HD2 H 7.096 0.05 1 1114 111 111 HIS C C 178.357 0.05 1 1115 111 111 HIS CA C 59.123 0.05 1 1116 111 111 HIS CB C 29.299 0.05 1 1117 111 111 HIS CD2 C 120.738 0.05 1 1118 111 111 HIS N N 117.236 0.05 1 1119 112 112 ASN H H 7.747 0.05 1 1120 112 112 ASN HA H 4.408 0.05 1 1121 112 112 ASN HB2 H 2.697 0.05 2 1122 112 112 ASN HB3 H 2.861 0.05 2 1123 112 112 ASN HD21 H 6.91 0.05 2 1124 112 112 ASN C C 177.147 0.05 1 1125 112 112 ASN CA C 55.723 0.05 1 1126 112 112 ASN CB C 37.849 0.05 1 1127 112 112 ASN N N 117.5 0.05 1 1128 112 112 ASN ND2 N 111.123 0.05 1 1129 113 113 LEU H H 7.07 0.05 1 1130 113 113 LEU HA H 4.15 0.05 1 1131 113 113 LEU HB2 H 1.5 0.05 2 1132 113 113 LEU HB3 H 1.15 0.05 2 1133 113 113 LEU HG H -0.24 0.05 1 1134 113 113 LEU C C 177.8 0.05 1 1135 113 113 LEU CA C 52.6 0.05 1 1136 113 113 LEU CB C 43.2 0.05 1 1137 113 113 LEU CD1 C 25.2 0.05 2 1138 113 113 LEU CD2 C 25.2 0.05 2 1139 113 113 LEU CG C 20.3 0.05 1 1140 113 113 LEU N N 113.8 0.05 1 1141 114 114 ASP H H 7.789 0.05 1 1142 114 114 ASP HA H 4.786 0.05 1 1143 114 114 ASP HB2 H 2.566 0.05 2 1144 114 114 ASP HB3 H 2.824 0.05 2 1145 114 114 ASP C C 176.717 0.05 1 1146 114 114 ASP CA C 52.169 0.05 1 1147 114 114 ASP CB C 40.477 0.05 1 1148 114 114 ASP N N 119.781 0.05 1 1149 115 115 ILE H H 8.97 0.05 1 1150 115 115 ILE HA H 4.797 0.05 1 1151 115 115 ILE HB H 1.719 0.05 1 1152 115 115 ILE HD1 H 0.731 0.05 1 1153 115 115 ILE HG12 H 1.117 0.05 2 1154 115 115 ILE HG13 H 1.245 0.05 2 1155 115 115 ILE HG2 H 1.011 0.05 1 1156 115 115 ILE C C 174.107 0.05 1 1157 115 115 ILE CA C 59.304 0.05 1 1158 115 115 ILE CB C 42.172 0.05 1 1159 115 115 ILE CD1 C 15.976 0.05 1 1160 115 115 ILE CG1 C 25.816 0.05 1 1161 115 115 ILE CG2 C 19.407 0.05 1 1162 115 115 ILE N N 120.209 0.05 1 1163 116 116 THR H H 7.31 0.05 1 1164 116 116 THR HA H 4.1 0.05 1 1165 116 116 THR HB H 4.46 0.05 1 1166 116 116 THR HG2 H 1.21 0.05 1 1167 116 116 THR C C 175 0.05 1 1168 116 116 THR CA C 61.4 0.05 1 1169 116 116 THR CB C 69 0.05 1 1170 116 116 THR CG2 C 22.5 0.05 1 1171 116 116 THR N N 104.4 0.05 1 1172 117 117 GLU H H 8.822 0.05 1 1173 117 117 GLU HA H 3.965 0.05 1 1174 117 117 GLU HB2 H 2.283 0.05 2 1175 117 117 GLU HB3 H 2.007 0.05 2 1176 117 117 GLU HG2 H 2.404 0.05 2 1177 117 117 GLU HG3 H 2.056 0.05 2 1178 117 117 GLU C C 178.031 0.05 1 1179 117 117 GLU CA C 60.977 0.05 1 1180 117 117 GLU CB C 28.517 0.05 1 1181 117 117 GLU CG C 37.071 0.05 1 1182 117 117 GLU N N 118.006 0.05 1 1183 118 118 VAL H H 7.156 0.05 1 1184 118 118 VAL HA H 4.086 0.05 1 1185 118 118 VAL HB H 2.111 0.05 1 1186 118 118 VAL HG1 H 0.837 0.05 2 1187 118 118 VAL HG2 H 0.879 0.05 2 1188 118 118 VAL C C 177.617 0.05 1 1189 118 118 VAL CA C 63.273 0.05 1 1190 118 118 VAL CB C 32.896 0.05 1 1191 118 118 VAL CG1 C 21.101 0.05 2 1192 118 118 VAL CG2 C 20.937 0.05 2 1193 118 118 VAL N N 113.787 0.05 1 1194 119 119 PHE H H 9 0.05 1 1195 119 119 PHE HA H 5.752 0.05 1 1196 119 119 PHE HB2 H 2.38 0.05 2 1197 119 119 PHE HB3 H 3.176 0.05 2 1198 119 119 PHE HD1 H 7.167 0.05 3 1199 119 119 PHE HD2 H 7.167 0.05 3 1200 119 119 PHE HE1 H 7.47 0.05 3 1201 119 119 PHE HE2 H 7.47 0.05 3 1202 119 119 PHE C C 174.677 0.05 1 1203 119 119 PHE CA C 55.677 0.05 1 1204 119 119 PHE CB C 44.731 0.05 1 1205 119 119 PHE CD1 C 130.697 0.05 3 1206 119 119 PHE CD2 C 130.697 0.05 3 1207 119 119 PHE N N 125.788 0.05 1 1208 120 120 GLN H H 8.569 0.05 1 1209 120 120 GLN HA H 5.042 0.05 1 1210 120 120 GLN HB2 H 2.048 0.05 2 1211 120 120 GLN HB3 H 2.048 0.05 2 1212 120 120 GLN HE21 H 6.654 0.05 2 1213 120 120 GLN HE22 H 7.431 0.05 2 1214 120 120 GLN HG2 H 2.242 0.05 2 1215 120 120 GLN HG3 H 2.307 0.05 2 1216 120 120 GLN C C 173.797 0.05 1 1217 120 120 GLN CA C 54.837 0.05 1 1218 120 120 GLN CB C 32.021 0.05 1 1219 120 120 GLN CG C 33.197 0.05 1 1220 120 120 GLN N N 120.062 0.05 1 1221 120 120 GLN NE2 N 109.844 0.05 1 1222 121 121 VAL H H 7.532 0.05 1 1223 121 121 VAL HA H 4.254 0.05 1 1224 121 121 VAL HB H 2.38 0.05 1 1225 121 121 VAL HG1 H 0.956 0.05 2 1226 121 121 VAL HG2 H 1.001 0.05 2 1227 121 121 VAL CA C 61.508 0.05 1 1228 121 121 VAL CB C 31.079 0.05 1 1229 121 121 VAL CG1 C 21.438 0.05 2 1230 121 121 VAL CG2 C 19.437 0.05 2 1231 122 122 PRO HA H 4.754 0.05 1 1232 122 122 PRO HB2 H 1.928 0.05 2 1233 122 122 PRO HB3 H -0.164 0.05 2 1234 122 122 PRO HD2 H 3.274 0.05 2 1235 122 122 PRO HD3 H 3.274 0.05 2 1236 122 122 PRO HG2 H 1.315 0.05 2 1237 122 122 PRO HG3 H 1.048 0.05 2 1238 122 122 PRO C C 174.008 0.05 1 1239 122 122 PRO CA C 61.922 0.05 1 1240 122 122 PRO CB C 31.246 0.05 1 1241 122 122 PRO CD C 45.1 0.05 1 1242 122 122 PRO CG C 27.823 0.05 1 1243 123 123 THR H H 8.94 0.05 1 1244 123 123 THR HA H 4.47 0.05 1 1245 123 123 THR HB H 4.06 0.05 1 1246 123 123 THR HG2 H 1.42 0.05 1 1247 123 123 THR C C 174.1 0.05 1 1248 123 123 THR CA C 64.5 0.05 1 1249 123 123 THR CB C 68.3 0.05 1 1250 123 123 THR CG2 C 22.5 0.05 1 1251 123 123 THR N N 118.8 0.05 1 1252 124 124 ALA H H 8.15 0.05 1 1253 124 124 ALA HA H 4.18 0.05 1 1254 124 124 ALA HB H 1.33 0.05 1 1255 124 124 ALA C C 178.4 0.05 1 1256 124 124 ALA CA C 53.5 0.05 1 1257 124 124 ALA CB C 18.8 0.05 1 1258 124 124 ALA N N 125.3 0.05 1 1259 125 125 PRO HA H 4.615 0.05 1 1260 125 125 PRO HB2 H 2.46 0.05 2 1261 125 125 PRO HB3 H 2.069 0.05 2 1262 125 125 PRO HD2 H 3.795 0.05 2 1263 125 125 PRO HD3 H 3.253 0.05 2 1264 125 125 PRO HG2 H 2.13 0.05 2 1265 125 125 PRO HG3 H 1.953 0.05 2 1266 125 125 PRO C C 177.804 0.05 1 1267 125 125 PRO CA C 62.501 0.05 1 1268 125 125 PRO CB C 32.282 0.05 1 1269 125 125 PRO CD C 50.359 0.05 1 1270 125 125 PRO CG C 27.493 0.05 1 1271 126 126 LEU H H 7.94 0.05 1 1272 126 126 LEU HA H 4.23 0.05 1 1273 126 126 LEU HB2 H 1.64 0.05 2 1274 126 126 LEU HB3 H 1.52 0.05 2 1275 126 126 LEU HD1 H 0.82 0.05 2 1276 126 126 LEU HD2 H 0.88 0.05 2 1277 126 126 LEU C C 177.8 0.05 1 1278 126 126 LEU CA C 55.6 0.05 1 1279 126 126 LEU CB C 42.3 0.05 1 1280 126 126 LEU CD1 C 23.3 0.05 2 1281 126 126 LEU CD2 C 24.9 0.05 2 1282 126 126 LEU CG C 26.9 0.05 1 1283 126 126 LEU N N 120 0.05 1 1284 127 127 GLY H H 8.788 0.05 1 1285 127 127 GLY HA2 H 3.716 0.05 2 1286 127 127 GLY HA3 H 4.299 0.05 2 1287 127 127 GLY C C 170.727 0.05 1 1288 127 127 GLY CA C 43.582 0.05 1 1289 127 127 GLY N N 114.31 0.05 1 1290 128 128 LEU H H 7.618 0.05 1 1291 128 128 LEU HA H 4.268 0.05 1 1292 128 128 LEU HB2 H 1.976 0.05 2 1293 128 128 LEU HB3 H 1.734 0.05 2 1294 128 128 LEU HD1 H 0.986 0.05 2 1295 128 128 LEU HD2 H 1.032 0.05 2 1296 128 128 LEU HG H 2.264 0.05 1 1297 128 128 LEU C C 176.909 0.05 1 1298 128 128 LEU CA C 57.031 0.05 1 1299 128 128 LEU CB C 41.179 0.05 1 1300 128 128 LEU CD1 C 26.924 0.05 2 1301 128 128 LEU CD2 C 23.091 0.05 2 1302 128 128 LEU CG C 27.054 0.05 1 1303 128 128 LEU N N 117.107 0.05 1 1304 129 129 TYR H H 9.062 0.05 1 1305 129 129 TYR HA H 3.796 0.05 1 1306 129 129 TYR HB2 H 2.695 0.05 2 1307 129 129 TYR HB3 H 2.223 0.05 2 1308 129 129 TYR HD1 H 6.16 0.05 3 1309 129 129 TYR HD2 H 6.16 0.05 3 1310 129 129 TYR HE1 H 6.715 0.05 3 1311 129 129 TYR HE2 H 6.715 0.05 3 1312 129 129 TYR CA C 57.413 0.05 1 1313 129 129 TYR CB C 39.469 0.05 1 1314 129 129 TYR CD1 C 132.7 0.05 3 1315 129 129 TYR CD2 C 132.7 0.05 3 1316 129 129 TYR CE1 C 117.7 0.05 3 1317 129 129 TYR CE2 C 117.7 0.05 3 1318 129 129 TYR N N 128.334 0.05 1 1319 130 130 PRO HA H 4.138 0.05 1 1320 130 130 PRO HB2 H 2.217 0.05 2 1321 130 130 PRO HB3 H 2.018 0.05 2 1322 130 130 PRO HD2 H 4.077 0.05 2 1323 130 130 PRO HD3 H 3.853 0.05 2 1324 130 130 PRO HG2 H 2.086 0.05 2 1325 130 130 PRO HG3 H 2.093 0.05 2 1326 130 130 PRO C C 178.308 0.05 1 1327 130 130 PRO CA C 64.625 0.05 1 1328 130 130 PRO CB C 31.989 0.05 1 1329 130 130 PRO CD C 51.057 0.05 1 1330 130 130 PRO CG C 27.196 0.05 1 1331 131 131 GLY H H 8.679 0.05 1 1332 131 131 GLY HA2 H 3.911 0.05 2 1333 131 131 GLY HA3 H 4.136 0.05 2 1334 131 131 GLY C C 172.647 0.05 1 1335 131 131 GLY CA C 46.665 0.05 1 1336 131 131 GLY N N 109.274 0.05 1 1337 132 132 LYS H H 9.45 0.05 1 1338 132 132 LYS HA H 4.71 0.05 1 1339 132 132 LYS HB2 H 1.93 0.05 2 1340 132 132 LYS HB3 H 1.93 0.05 2 1341 132 132 LYS HD2 H 1.87 0.05 2 1342 132 132 LYS HD3 H 2.04 0.05 2 1343 132 132 LYS HE2 H 2.94 0.05 2 1344 132 132 LYS HE3 H 2.94 0.05 2 1345 132 132 LYS HG2 H 1.4 0.05 2 1346 132 132 LYS HG3 H 1.4 0.05 2 1347 132 132 LYS C C 174.7 0.05 1 1348 132 132 LYS CA C 54.2 0.05 1 1349 132 132 LYS CB C 36.9 0.05 1 1350 132 132 LYS CD C 27.9 0.05 1 1351 132 132 LYS CE C 43.3 0.05 1 1352 132 132 LYS CG C 24.5 0.05 1 1353 132 132 LYS N N 124.9 0.05 1 1354 133 133 LEU H H 7.805 0.05 1 1355 133 133 LEU HA H 4.549 0.05 1 1356 133 133 LEU HB2 H 1.908 0.05 2 1357 133 133 LEU HB3 H 1.624 0.05 2 1358 133 133 LEU HD1 H 1.044 0.05 2 1359 133 133 LEU HD2 H 0.923 0.05 2 1360 133 133 LEU HG H 1.619 0.05 1 1361 133 133 LEU C C 177.118 0.05 1 1362 133 133 LEU CA C 54.67 0.05 1 1363 133 133 LEU CB C 43.126 0.05 1 1364 133 133 LEU CD1 C 25.465 0.05 2 1365 133 133 LEU CD2 C 22.328 0.05 2 1366 133 133 LEU CG C 27.243 0.05 1 1367 133 133 LEU N N 118.3 0.05 1 1368 134 134 LYS H H 7.665 0.05 1 1369 134 134 LYS HA H 4.197 0.05 1 1370 134 134 LYS HB2 H 1.889 0.05 2 1371 134 134 LYS HB3 H 1.893 0.05 2 1372 134 134 LYS HD2 H 1.772 0.05 2 1373 134 134 LYS HD3 H 1.772 0.05 2 1374 134 134 LYS HE2 H 3.088 0.05 2 1375 134 134 LYS HE3 H 3.088 0.05 2 1376 134 134 LYS HG2 H 1.637 0.05 2 1377 134 134 LYS HG3 H 1.565 0.05 2 1378 134 134 LYS C C 178.979 0.05 1 1379 134 134 LYS CA C 57.775 0.05 1 1380 134 134 LYS CB C 33.69 0.05 1 1381 134 134 LYS CD C 29.105 0.05 1 1382 134 134 LYS CE C 42.235 0.05 1 1383 134 134 LYS CG C 25.5 0.05 1 1384 134 134 LYS N N 113.005 0.05 1 1385 135 135 SER H H 7.67 0.05 1 1386 135 135 SER HA H 4.69 0.05 1 1387 135 135 SER HB2 H 3.71 0.05 2 1388 135 135 SER HB3 H 3.71 0.05 2 1389 135 135 SER C C 172.7 0.05 1 1390 135 135 SER CA C 57.3 0.05 1 1391 135 135 SER CB C 64.7 0.05 1 1392 135 135 SER N N 116.3 0.05 1 1393 136 136 LEU HA H 4.767 0.05 1 1394 136 136 LEU HB2 H 1.329 0.05 2 1395 136 136 LEU HB3 H 1.503 0.05 2 1396 136 136 LEU HD1 H 0.741 0.05 2 1397 136 136 LEU HD2 H 0.702 0.05 2 1398 136 136 LEU HG H 1.484 0.05 1 1399 136 136 LEU CA C 51.891 0.05 1 1400 136 136 LEU CB C 42.638 0.05 1 1401 136 136 LEU CD1 C 27.338 0.05 2 1402 136 136 LEU CD2 C 24.432 0.05 2 1403 136 136 LEU CG C 26.202 0.05 1 1404 137 137 GLU H H 8.15 0.05 1 1405 137 137 GLU HA H 4.35 0.05 1 1406 137 137 GLU HB2 H 1.82 0.05 2 1407 137 137 GLU HB3 H 1.82 0.05 2 1408 137 137 GLU HG2 H 2.16 0.05 2 1409 137 137 GLU HG3 H 2.16 0.05 2 1410 137 137 GLU C C 176.2 0.05 1 1411 137 137 GLU CA C 56 0.05 1 1412 137 137 GLU CB C 31.7 0.05 1 1413 137 137 GLU CG C 36.5 0.05 1 1414 137 137 GLU N N 116.8 0.05 1 1415 138 138 GLU H H 8.1 0.05 1 1416 138 138 GLU HA H 5.26 0.05 1 1417 138 138 GLU HB2 H 1.91 0.05 2 1418 138 138 GLU HB3 H 2.15 0.05 2 1419 138 138 GLU HG2 H 2.05 0.05 2 1420 138 138 GLU HG3 H 2.05 0.05 2 1421 138 138 GLU C C 175 0.05 1 1422 138 138 GLU CA C 54.7 0.05 1 1423 138 138 GLU CB C 32.3 0.05 1 1424 138 138 GLU CG C 37.2 0.05 1 1425 138 138 GLU N N 128.4 0.05 1 1426 139 139 VAL H H 6.94 0.05 1 1427 139 139 VAL HA H 4.58 0.05 1 1428 139 139 VAL HB H 1.965 0.05 1 1429 139 139 VAL HG1 H 0.826 0.05 2 1430 139 139 VAL HG2 H 0.801 0.05 2 1431 139 139 VAL C C 173.689 0.05 1 1432 139 139 VAL CA C 60.464 0.05 1 1433 139 139 VAL CB C 34.047 0.05 1 1434 139 139 VAL CG1 C 22.294 0.05 2 1435 139 139 VAL CG2 C 20.212 0.05 2 1436 139 139 VAL N N 116.839 0.05 1 1437 140 140 LYS H H 8.883 0.05 1 1438 140 140 LYS HA H 4.504 0.05 1 1439 140 140 LYS HB2 H 0.815 0.05 2 1440 140 140 LYS HB3 H 0.904 0.05 2 1441 140 140 LYS HD2 H 0.49 0.05 2 1442 140 140 LYS HD3 H 0.102 0.05 2 1443 140 140 LYS HE2 H 1.613 0.05 2 1444 140 140 LYS HE3 H 1.847 0.05 2 1445 140 140 LYS HG2 H 0.71 0.05 2 1446 140 140 LYS HG3 H 0.71 0.05 2 1447 140 140 LYS C C 174.267 0.05 1 1448 140 140 LYS CA C 55.651 0.05 1 1449 140 140 LYS CB C 36.83 0.05 1 1450 140 140 LYS CD C 28.899 0.05 1 1451 140 140 LYS CE C 40.868 0.05 1 1452 140 140 LYS CG C 24.827 0.05 1 1453 140 140 LYS N N 124.684 0.05 1 1454 141 141 ASP H H 7.749 0.05 1 1455 141 141 ASP HA H 4.764 0.05 1 1456 141 141 ASP HB2 H 2.633 0.05 2 1457 141 141 ASP HB3 H 2.713 0.05 2 1458 141 141 ASP C C 173.777 0.05 1 1459 141 141 ASP CA C 52.197 0.05 1 1460 141 141 ASP CB C 43.349 0.05 1 1461 141 141 ASP N N 113.923 0.05 1 1462 142 142 GLY H H 9.003 0.05 1 1463 142 142 GLY HA2 H 3.865 0.05 2 1464 142 142 GLY HA3 H 3.865 0.05 2 1465 142 142 GLY C C 174.247 0.05 1 1466 142 142 GLY CA C 46.427 0.05 1 1467 142 142 GLY N N 114.173 0.05 1 1468 143 143 SER HA H 4.34 0.05 1 1469 143 143 SER HB2 H 3.97 0.05 2 1470 143 143 SER HB3 H 3.97 0.05 2 1471 143 143 SER C C 176.3 0.05 1 1472 143 143 SER CA C 59.8 0.05 1 1473 143 143 SER CB C 63 0.05 1 1474 144 144 THR H H 7.753 0.05 1 1475 144 144 THR HA H 4.639 0.05 1 1476 144 144 THR HB H 4.171 0.05 1 1477 144 144 THR HG2 H 1.024 0.05 1 1478 144 144 THR CA C 61.107 0.05 1 1479 144 144 THR CB C 71.083 0.05 1 1480 144 144 THR CG2 C 21.668 0.05 1 1481 144 144 THR N N 110.46 0.05 1 1482 145 145 VAL H H 7.953 0.05 1 1483 145 145 VAL HA H 4.032 0.05 1 1484 145 145 VAL HB H 1.243 0.05 1 1485 145 145 VAL HG1 H 0.183 0.05 2 1486 145 145 VAL HG2 H 0.493 0.05 2 1487 145 145 VAL C C 170.807 0.05 1 1488 145 145 VAL CA C 60.611 0.05 1 1489 145 145 VAL CB C 35.947 0.05 1 1490 145 145 VAL CG1 C 22.275 0.05 2 1491 145 145 VAL CG2 C 21.845 0.05 2 1492 145 145 VAL N N 125.678 0.05 1 1493 146 146 SER H H 7.91 0.05 1 1494 146 146 SER HA H 4.25 0.05 1 1495 146 146 SER HB2 H 4.02 0.05 2 1496 146 146 SER HB3 H 3.83 0.05 2 1497 146 146 SER C C 174.8 0.05 1 1498 146 146 SER CA C 59.2 0.05 1 1499 146 146 SER CB C 63.2 0.05 1 1500 146 146 SER N N 109.8 0.05 1 1501 147 147 ALA H H 8.1 0.05 1 1502 147 147 ALA HA H 4.21 0.05 1 1503 147 147 ALA HB H 1.41 0.05 1 1504 147 147 ALA C C 178.2 0.05 1 1505 147 147 ALA CA C 53.3 0.05 1 1506 147 147 ALA CB C 18.9 0.05 1 1507 147 147 ALA N N 122.1 0.05 1 1508 148 148 PRO HA H 4.429 0.05 1 1509 148 148 PRO HB2 H 2.21 0.05 2 1510 148 148 PRO HB3 H 1.936 0.05 2 1511 148 148 PRO HD2 H 3.498 0.05 2 1512 148 148 PRO HD3 H 3.436 0.05 2 1513 148 148 PRO HG2 H 1.925 0.05 2 1514 148 148 PRO HG3 H 1.935 0.05 2 1515 148 148 PRO CA C 63.388 0.05 1 1516 148 148 PRO CB C 31.648 0.05 1 1517 148 148 PRO CD C 50.645 0.05 1 1518 148 148 PRO CG C 27.279 0.05 1 1519 149 149 ASN H H 8.8 0.05 1 1520 149 149 ASN HA H 5.27 0.05 1 1521 149 149 ASN HB2 H 2.91 0.05 2 1522 149 149 ASN HB3 H 3.01 0.05 2 1523 149 149 ASN HD21 H 7.72 0.05 2 1524 149 149 ASN HD22 H 6.91 0.05 2 1525 149 149 ASN C C 176.2 0.05 1 1526 149 149 ASN CA C 51.5 0.05 1 1527 149 149 ASN CB C 41.4 0.05 1 1528 149 149 ASN N N 123 0.05 1 1529 149 149 ASN ND2 N 114.1 0.05 1 1530 150 150 ASP H H 8.32 0.05 1 1531 150 150 ASP HA H 4.405 0.05 1 1532 150 150 ASP HB2 H 2.885 0.05 2 1533 150 150 ASP HB3 H 2.698 0.05 2 1534 150 150 ASP CA C 56.604 0.05 1 1535 150 150 ASP CB C 40.114 0.05 1 1536 150 150 ASP N N 121.154 0.05 1 1537 151 151 PRO HA H 4.356 0.05 1 1538 151 151 PRO HB2 H 2.614 0.05 2 1539 151 151 PRO HB3 H 2.067 0.05 2 1540 151 151 PRO HD2 H 3.987 0.05 2 1541 151 151 PRO HD3 H 3.862 0.05 2 1542 151 151 PRO HG2 H 2.274 0.05 2 1543 151 151 PRO HG3 H 2.092 0.05 2 1544 151 151 PRO C C 179.032 0.05 1 1545 151 151 PRO CA C 66.234 0.05 1 1546 151 151 PRO CB C 32.194 0.05 1 1547 151 151 PRO CD C 51.062 0.05 1 1548 151 151 PRO CG C 27.896 0.05 1 1549 152 152 SER H H 9.335 0.05 1 1550 152 152 SER HA H 5.001 0.05 1 1551 152 152 SER HB2 H 4.014 0.05 2 1552 152 152 SER HB3 H 4.071 0.05 2 1553 152 152 SER C C 173.457 0.05 1 1554 152 152 SER CA C 56.774 0.05 1 1555 152 152 SER CB C 65.379 0.05 1 1556 152 152 SER N N 122.718 0.05 1 1557 153 153 ASN H H 7.948 0.05 1 1558 153 153 ASN HA H 4.761 0.05 1 1559 153 153 ASN HB2 H 2.549 0.05 2 1560 153 153 ASN HB3 H 2.898 0.05 2 1561 153 153 ASN C C 175.507 0.05 1 1562 153 153 ASN CA C 52.057 0.05 1 1563 153 153 ASN CB C 39.879 0.05 1 1564 153 153 ASN N N 116.159 0.05 1 1565 154 154 PHE H H 9.08 0.05 1 1566 154 154 PHE HA H 4.556 0.05 1 1567 154 154 PHE HB2 H 3.149 0.05 2 1568 154 154 PHE HB3 H 2.989 0.05 2 1569 154 154 PHE HD1 H 6.857 0.05 3 1570 154 154 PHE HD2 H 6.857 0.05 3 1571 154 154 PHE HE1 H 7.007 0.05 3 1572 154 154 PHE HE2 H 7.007 0.05 3 1573 154 154 PHE HZ H 6.818 0.05 1 1574 154 154 PHE C C 176.237 0.05 1 1575 154 154 PHE CA C 57.024 0.05 1 1576 154 154 PHE CB C 41.621 0.05 1 1577 154 154 PHE CD1 C 131.7 0.05 3 1578 154 154 PHE CD2 C 131.7 0.05 3 1579 154 154 PHE CE1 C 131.2 0.05 3 1580 154 154 PHE CE2 C 131.2 0.05 3 1581 154 154 PHE CZ C 129.3 0.05 1 1582 154 154 PHE N N 118.075 0.05 1 1583 155 155 ALA H H 7.97 0.05 1 1584 155 155 ALA HA H 4.22 0.05 1 1585 155 155 ALA HB H 1.41 0.05 1 1586 155 155 ALA C C 178.2 0.05 1 1587 155 155 ALA CA C 53.1 0.05 1 1588 155 155 ALA CB C 18.9 0.05 1 1589 155 155 ALA N N 121.9 0.05 1 1590 156 156 ARG HA H 3.979 0.05 1 1591 156 156 ARG HB2 H 1.706 0.05 2 1592 156 156 ARG HB3 H 1.392 0.05 2 1593 156 156 ARG HD2 H 3.075 0.05 2 1594 156 156 ARG HD3 H 3.019 0.05 2 1595 156 156 ARG HE H 6.867 0.05 1 1596 156 156 ARG HG2 H 1.399 0.05 2 1597 156 156 ARG HG3 H 1.258 0.05 2 1598 156 156 ARG C C 176.248 0.05 1 1599 156 156 ARG CA C 58.269 0.05 1 1600 156 156 ARG CB C 30.368 0.05 1 1601 156 156 ARG CD C 43.527 0.05 1 1602 156 156 ARG CG C 27.127 0.05 1 1603 156 156 ARG N N 118.414 0.05 1 1604 156 156 ARG NE N 84.16 0.05 1 1605 157 157 VAL H H 8.03 0.05 1 1606 157 157 VAL HA H 4.01 0.05 1 1607 157 157 VAL HB H 2.1 0.05 1 1608 157 157 VAL HG1 H 0.96 0.05 2 1609 157 157 VAL HG2 H 0.93 0.05 2 1610 157 157 VAL C C 174 0.05 1 1611 157 157 VAL CA C 63.5 0.05 1 1612 157 157 VAL CB C 32.5 0.05 1 1613 157 157 VAL CG1 C 24.2 0.05 2 1614 157 157 VAL CG2 C 21.2 0.05 2 1615 157 157 VAL N N 122.2 0.05 1 1616 158 158 LEU H H 7.509 0.05 1 1617 158 158 LEU HA H 4.599 0.05 1 1618 158 158 LEU HB2 H 1.713 0.05 2 1619 158 158 LEU HB3 H 1.706 0.05 2 1620 158 158 LEU HD1 H 0.819 0.05 2 1621 158 158 LEU HD2 H 0.794 0.05 2 1622 158 158 LEU HG H 1.708 0.05 1 1623 158 158 LEU C C 176.664 0.05 1 1624 158 158 LEU CA C 53.911 0.05 1 1625 158 158 LEU CB C 43.049 0.05 1 1626 158 158 LEU CD1 C 25.851 0.05 2 1627 158 158 LEU CD2 C 22.907 0.05 2 1628 158 158 LEU CG C 26.862 0.05 1 1629 158 158 LEU N N 116.624 0.05 1 1630 159 159 VAL H H 8.198 0.05 1 1631 159 159 VAL HA H 4.024 0.05 1 1632 159 159 VAL HB H 1.963 0.05 1 1633 159 159 VAL HG1 H 0.819 0.05 2 1634 159 159 VAL HG2 H 0.851 0.05 2 1635 159 159 VAL C C 175.757 0.05 1 1636 159 159 VAL CA C 62.147 0.05 1 1637 159 159 VAL CB C 32.89 0.05 1 1638 159 159 VAL CG1 C 21.086 0.05 2 1639 159 159 VAL CG2 C 20.403 0.05 2 1640 159 159 VAL N N 120.934 0.05 1 1641 160 160 MET H H 6.948 0.05 1 1642 160 160 MET HA H 4.306 0.05 1 1643 160 160 MET HB2 H 2.36 0.05 2 1644 160 160 MET HB3 H 2.412 0.05 2 1645 160 160 MET HE H 2.004 0.05 1 1646 160 160 MET HG2 H 1.93 0.05 2 1647 160 160 MET HG3 H 1.93 0.05 2 1648 160 160 MET C C 177.937 0.05 1 1649 160 160 MET CA C 56.497 0.05 1 1650 160 160 MET CB C 31.787 0.05 1 1651 160 160 MET CE C 16.758 0.05 1 1652 160 160 MET CG C 31.727 0.05 1 1653 160 160 MET N N 120.217 0.05 1 1654 161 161 LEU H H 9.597 0.05 1 1655 161 161 LEU HA H 5.725 0.05 1 1656 161 161 LEU HB2 H 2.081 0.05 2 1657 161 161 LEU HB3 H 1.299 0.05 2 1658 161 161 LEU HD1 H 0.871 0.05 2 1659 161 161 LEU HD2 H 0.911 0.05 2 1660 161 161 LEU HG H 1.717 0.05 1 1661 161 161 LEU C C 175.14 0.05 1 1662 161 161 LEU CA C 53.048 0.05 1 1663 161 161 LEU CB C 45.56 0.05 1 1664 161 161 LEU CD1 C 25.804 0.05 2 1665 161 161 LEU CD2 C 23.99 0.05 2 1666 161 161 LEU CG C 26.699 0.05 1 1667 161 161 LEU N N 126.831 0.05 1 1668 162 162 ASP H H 7.55 0.05 1 1669 162 162 ASP HA H 4.37 0.05 1 1670 162 162 ASP HB2 H 2.99 0.05 2 1671 162 162 ASP HB3 H 2.69 0.05 2 1672 162 162 ASP C C 178.1 0.05 1 1673 162 162 ASP CA C 56.7 0.05 1 1674 162 162 ASP CB C 41.1 0.05 1 1675 162 162 ASP N N 119.6 0.05 1 1676 163 163 GLU H H 7.18 0.05 1 1677 163 163 GLU HA H 4.06 0.05 1 1678 163 163 GLU HB2 H 1.89 0.05 2 1679 163 163 GLU HB3 H 1.89 0.05 2 1680 163 163 GLU HG2 H 2.3 0.05 2 1681 163 163 GLU HG3 H 2.3 0.05 2 1682 163 163 GLU C C 176.9 0.05 1 1683 163 163 GLU CA C 57.3 0.05 1 1684 163 163 GLU CB C 29.8 0.05 1 1685 163 163 GLU CG C 36.1 0.05 1 1686 163 163 GLU N N 113.7 0.05 1 1687 164 164 LEU H H 7.3 0.05 1 1688 164 164 LEU HA H 3.71 0.05 1 1689 164 164 LEU HB2 H 1.48 0.05 2 1690 164 164 LEU HB3 H 1.48 0.05 2 1691 164 164 LEU HD1 H 0.05 0.05 2 1692 164 164 LEU HD2 H 0.22 0.05 2 1693 164 164 LEU HG H 1.08 0.05 1 1694 164 164 LEU C C 177.8 0.05 1 1695 164 164 LEU CA C 55.9 0.05 1 1696 164 164 LEU CB C 41.1 0.05 1 1697 164 164 LEU CD1 C 22.9 0.05 2 1698 164 164 LEU CD2 C 24.4 0.05 2 1699 164 164 LEU CG C 26.7 0.05 1 1700 164 164 LEU N N 120.5 0.05 1 1701 165 165 GLY H H 8.34 0.05 1 1702 165 165 GLY HA2 H 3.95 0.05 2 1703 165 165 GLY HA3 H 3.98 0.05 2 1704 165 165 GLY C C 173.6 0.05 1 1705 165 165 GLY CA C 45.2 0.05 1 1706 165 165 GLY N N 111.2 0.05 1 1707 166 166 TRP H H 8.071 0.05 1 1708 166 166 TRP HA H 4.656 0.05 1 1709 166 166 TRP HB2 H 3.371 0.05 2 1710 166 166 TRP HB3 H 3.172 0.05 2 1711 166 166 TRP HD1 H 7.512 0.05 1 1712 166 166 TRP HE1 H 10.3 0.05 1 1713 166 166 TRP HE3 H 7.46 0.05 1 1714 166 166 TRP HH2 H 6.622 0.05 1 1715 166 166 TRP HZ2 H 7.046 0.05 1 1716 166 166 TRP HZ3 H 6.747 0.05 1 1717 166 166 TRP C C 178.626 0.05 1 1718 166 166 TRP CA C 58.622 0.05 1 1719 166 166 TRP CB C 29.422 0.05 1 1720 166 166 TRP CD1 C 129.1 0.05 1 1721 166 166 TRP CE3 C 119.8 0.05 1 1722 166 166 TRP CH2 C 123.7 0.05 1 1723 166 166 TRP CZ2 C 115.3 0.05 1 1724 166 166 TRP CZ3 C 121.3 0.05 1 1725 166 166 TRP N N 117.412 0.05 1 1726 166 166 TRP NE1 N 129.092 0.05 1 1727 167 167 ILE H H 7.425 0.05 1 1728 167 167 ILE HA H 4.395 0.05 1 1729 167 167 ILE HB H 1.834 0.05 1 1730 167 167 ILE HD1 H 0.954 0.05 1 1731 167 167 ILE HG12 H 1.607 0.05 2 1732 167 167 ILE HG13 H 1.056 0.05 2 1733 167 167 ILE HG2 H 1.099 0.05 1 1734 167 167 ILE C C 175.469 0.05 1 1735 167 167 ILE CA C 60.582 0.05 1 1736 167 167 ILE CB C 39.992 0.05 1 1737 167 167 ILE CD1 C 14.75 0.05 1 1738 167 167 ILE CG1 C 27.13 0.05 1 1739 167 167 ILE CG2 C 18.328 0.05 1 1740 167 167 ILE N N 119.427 0.05 1 1741 168 168 LYS H H 9.822 0.05 1 1742 168 168 LYS HA H 3.984 0.05 1 1743 168 168 LYS HB2 H 1.901 0.05 2 1744 168 168 LYS HB3 H 2.151 0.05 2 1745 168 168 LYS HD2 H 1.596 0.05 2 1746 168 168 LYS HD3 H 1.596 0.05 2 1747 168 168 LYS HE2 H 2.86 0.05 2 1748 168 168 LYS HE3 H 2.859 0.05 2 1749 168 168 LYS HG2 H 1.262 0.05 2 1750 168 168 LYS HG3 H 1.272 0.05 2 1751 168 168 LYS C C 176.747 0.05 1 1752 168 168 LYS CA C 60.431 0.05 1 1753 168 168 LYS CB C 32.69 0.05 1 1754 168 168 LYS CD C 30.197 0.05 1 1755 168 168 LYS CE C 42.159 0.05 1 1756 168 168 LYS CG C 24.797 0.05 1 1757 168 168 LYS N N 123.762 0.05 1 1758 169 169 LEU H H 8.244 0.05 1 1759 169 169 LEU HA H 4.067 0.05 1 1760 169 169 LEU HB2 H 1.487 0.05 2 1761 169 169 LEU HB3 H 1.624 0.05 2 1762 169 169 LEU HD1 H 0.707 0.05 2 1763 169 169 LEU HD2 H 0.781 0.05 2 1764 169 169 LEU HG H 1.47 0.05 1 1765 169 169 LEU C C 178.477 0.05 1 1766 169 169 LEU CA C 57.873 0.05 1 1767 169 169 LEU CB C 42.197 0.05 1 1768 169 169 LEU CD1 C 25.701 0.05 2 1769 169 169 LEU CD2 C 23.681 0.05 2 1770 169 169 LEU CG C 27.061 0.05 1 1771 169 169 LEU N N 120.505 0.05 1 1772 170 170 LYS H H 7.545 0.05 1 1773 170 170 LYS HA H 4.32 0.05 1 1774 170 170 LYS HB2 H 1.529 0.05 2 1775 170 170 LYS HB3 H 1.395 0.05 2 1776 170 170 LYS HD2 H 1.518 0.05 2 1777 170 170 LYS HD3 H 1.399 0.05 2 1778 170 170 LYS HE2 H 3.021 0.05 2 1779 170 170 LYS HE3 H 2.791 0.05 2 1780 170 170 LYS HG2 H 0.764 0.05 2 1781 170 170 LYS HG3 H 0.169 0.05 2 1782 170 170 LYS C C 173.65 0.05 1 1783 170 170 LYS CA C 54.283 0.05 1 1784 170 170 LYS CB C 34.992 0.05 1 1785 170 170 LYS CD C 30.281 0.05 1 1786 170 170 LYS CE C 42.428 0.05 1 1787 170 170 LYS CG C 21.857 0.05 1 1788 170 170 LYS N N 120.444 0.05 1 1789 171 171 ASP H H 8.32 0.05 1 1790 171 171 ASP HA H 4.47 0.05 1 1791 171 171 ASP HB2 H 2.7 0.05 2 1792 171 171 ASP HB3 H 2.64 0.05 2 1793 171 171 ASP C C 178.2 0.05 1 1794 171 171 ASP CA C 56.4 0.05 1 1795 171 171 ASP CB C 40.1 0.05 1 1796 171 171 ASP N N 118.2 0.05 1 1797 172 172 GLY H H 7.817 0.05 1 1798 172 172 GLY HA2 H 3.501 0.05 2 1799 172 172 GLY HA3 H 4.158 0.05 2 1800 172 172 GLY C C 174.197 0.05 1 1801 172 172 GLY CA C 44.643 0.05 1 1802 172 172 GLY N N 105.921 0.05 1 1803 173 173 ILE H H 7.577 0.05 1 1804 173 173 ILE HA H 3.754 0.05 1 1805 173 173 ILE HB H 2.199 0.05 1 1806 173 173 ILE HD1 H 1.066 0.05 1 1807 173 173 ILE HG12 H 1.504 0.05 2 1808 173 173 ILE HG13 H 1.268 0.05 2 1809 173 173 ILE HG2 H 1.134 0.05 1 1810 173 173 ILE C C 175.199 0.05 1 1811 173 173 ILE CA C 65.024 0.05 1 1812 173 173 ILE CB C 38.885 0.05 1 1813 173 173 ILE CD1 C 14.446 0.05 1 1814 173 173 ILE CG1 C 30.069 0.05 1 1815 173 173 ILE CG2 C 17.109 0.05 1 1816 173 173 ILE N N 119.577 0.05 1 1817 174 174 ASN HA H 4.758 0.05 1 1818 174 174 ASN HB2 H 2.878 0.05 2 1819 174 174 ASN HB3 H 2.709 0.05 2 1820 174 174 ASN HD21 H 7.419 0.05 2 1821 174 174 ASN HD22 H 6.773 0.05 2 1822 174 174 ASN CA C 53.746 0.05 1 1823 174 174 ASN CB C 37.808 0.05 1 1824 174 174 ASN ND2 N 111.806 0.05 1 1825 175 175 PRO HA H 4.062 0.05 1 1826 175 175 PRO HB2 H 1.051 0.05 2 1827 175 175 PRO HB3 H 1.227 0.05 2 1828 175 175 PRO HD2 H 3.573 0.05 2 1829 175 175 PRO HD3 H 3.618 0.05 2 1830 175 175 PRO HG2 H 1.706 0.05 2 1831 175 175 PRO HG3 H 1.706 0.05 2 1832 175 175 PRO C C 176.147 0.05 1 1833 175 175 PRO CA C 62.37 0.05 1 1834 175 175 PRO CB C 31.332 0.05 1 1835 175 175 PRO CD C 50.133 0.05 1 1836 175 175 PRO CG C 26.855 0.05 1 1837 176 176 LEU H H 8.139 0.05 1 1838 176 176 LEU HA H 4.227 0.05 1 1839 176 176 LEU HB2 H 1.302 0.05 2 1840 176 176 LEU HB3 H 1.399 0.05 2 1841 176 176 LEU HD1 H 0.667 0.05 2 1842 176 176 LEU HD2 H 0.689 0.05 2 1843 176 176 LEU HG H 1.439 0.05 1 1844 176 176 LEU C C 176.017 0.05 1 1845 176 176 LEU CA C 54.367 0.05 1 1846 176 176 LEU CB C 43.093 0.05 1 1847 176 176 LEU CD1 C 23.99 0.05 2 1848 176 176 LEU CD2 C 24.808 0.05 2 1849 176 176 LEU CG C 26.74 0.05 1 1850 176 176 LEU N N 121.959 0.05 1 1851 177 177 THR H H 8.406 0.05 1 1852 177 177 THR HA H 4.52 0.05 1 1853 177 177 THR HB H 4.271 0.05 1 1854 177 177 THR HG2 H 1.242 0.05 1 1855 177 177 THR C C 174.552 0.05 1 1856 177 177 THR CA C 61.834 0.05 1 1857 177 177 THR CB C 69.912 0.05 1 1858 177 177 THR CG2 C 21.624 0.05 1 1859 177 177 THR N N 118.332 0.05 1 1860 178 178 ALA H H 7.93 0.05 1 1861 178 178 ALA HA H 4.11 0.05 1 1862 178 178 ALA HB H 1.3 0.05 1 1863 178 178 ALA C C 179.2 0.05 1 1864 178 178 ALA CA C 54.6 0.05 1 1865 178 178 ALA CB C 18.1 0.05 1 1866 178 178 ALA N N 123.7 0.05 1 1867 179 179 SER H H 7.514 0.05 1 1868 179 179 SER HA H 4.425 0.05 1 1869 179 179 SER HB2 H 3.938 0.05 2 1870 179 179 SER HB3 H 3.878 0.05 2 1871 179 179 SER C C 173.97 0.05 1 1872 179 179 SER CA C 59.196 0.05 1 1873 179 179 SER CB C 63.861 0.05 1 1874 179 179 SER N N 113.711 0.05 1 1875 180 180 LYS H H 7.339 0.05 1 1876 180 180 LYS HA H 4.046 0.05 1 1877 180 180 LYS HB2 H 1.763 0.05 2 1878 180 180 LYS HB3 H 1.909 0.05 2 1879 180 180 LYS HD2 H 1.415 0.05 2 1880 180 180 LYS HD3 H 1.624 0.05 2 1881 180 180 LYS HE2 H 2.657 0.05 2 1882 180 180 LYS HE3 H 2.853 0.05 2 1883 180 180 LYS HG2 H 1.222 0.05 2 1884 180 180 LYS C C 175.897 0.05 1 1885 180 180 LYS CA C 59.183 0.05 1 1886 180 180 LYS CB C 32.137 0.05 1 1887 180 180 LYS CD C 29.854 0.05 1 1888 180 180 LYS CE C 42.836 0.05 1 1889 180 180 LYS CG C 27.071 0.05 1 1890 180 180 LYS N N 117.711 0.05 1 1891 181 181 ALA H H 8.078 0.05 1 1892 181 181 ALA HA H 4.055 0.05 1 1893 181 181 ALA HB H 1.341 0.05 1 1894 181 181 ALA C C 177.351 0.05 1 1895 181 181 ALA CA C 53.07 0.05 1 1896 181 181 ALA CB C 18.891 0.05 1 1897 181 181 ALA N N 120.169 0.05 1 1898 182 182 ASP H H 8.17 0.05 1 1899 182 182 ASP HA H 4.611 0.05 1 1900 182 182 ASP HB2 H 2.483 0.05 2 1901 182 182 ASP HB3 H 2.732 0.05 2 1902 182 182 ASP C C 179.197 0.05 1 1903 182 182 ASP CA C 57.873 0.05 1 1904 182 182 ASP CB C 40.257 0.05 1 1905 182 182 ASP N N 117.965 0.05 1 1906 183 183 ILE H H 8.32 0.05 1 1907 183 183 ILE HA H 4.33 0.05 1 1908 183 183 ILE HB H 1.54 0.05 1 1909 183 183 ILE HD1 H 0.6 0.05 1 1910 183 183 ILE HG12 H 1.5 0.05 2 1911 183 183 ILE HG13 H 1.5 0.05 2 1912 183 183 ILE HG2 H 0.8 0.05 1 1913 183 183 ILE C C 173.6 0.05 1 1914 183 183 ILE CA C 61.3 0.05 1 1915 183 183 ILE CB C 38.6 0.05 1 1916 183 183 ILE CD1 C 13.2 0.05 1 1917 183 183 ILE CG1 C 29 0.05 1 1918 183 183 ILE CG2 C 18.6 0.05 1 1919 183 183 ILE N N 121.3 0.05 1 1920 184 184 ALA H H 8.452 0.05 1 1921 184 184 ALA HA H 3.772 0.05 1 1922 184 184 ALA HB H 1.528 0.05 1 1923 184 184 ALA C C 178.755 0.05 1 1924 184 184 ALA CA C 55.511 0.05 1 1925 184 184 ALA CB C 19.599 0.05 1 1926 184 184 ALA N N 120.574 0.05 1 1927 185 185 GLU H H 8.292 0.05 1 1928 185 185 GLU HA H 4.338 0.05 1 1929 185 185 GLU HB2 H 1.974 0.05 2 1930 185 185 GLU HB3 H 1.924 0.05 2 1931 185 185 GLU HG2 H 2.263 0.05 2 1932 185 185 GLU HG3 H 2.243 0.05 2 1933 185 185 GLU C C 175.661 0.05 1 1934 185 185 GLU CA C 55.874 0.05 1 1935 185 185 GLU CB C 30.541 0.05 1 1936 185 185 GLU CG C 35.98 0.05 1 1937 185 185 GLU N N 119.841 0.05 1 1938 186 186 ASN HA H 4.812 0.05 1 1939 186 186 ASN HB2 H 3.138 0.05 2 1940 186 186 ASN HB3 H 2.66 0.05 2 1941 186 186 ASN HD21 H 7.722 0.05 2 1942 186 186 ASN HD22 H 7.119 0.05 2 1943 186 186 ASN CA C 51.006 0.05 1 1944 186 186 ASN CB C 38.811 0.05 1 1945 186 186 ASN ND2 N 112.784 0.05 1 1946 187 187 LEU H H 8.093 0.05 1 1947 187 187 LEU HA H 4.148 0.05 1 1948 187 187 LEU HB2 H 2.042 0.05 2 1949 187 187 LEU HB3 H 1.146 0.05 2 1950 187 187 LEU HD1 H 0.687 0.05 2 1951 187 187 LEU HD2 H 0.709 0.05 2 1952 187 187 LEU HG H 1.995 0.05 1 1953 187 187 LEU C C 178.67 0.05 1 1954 187 187 LEU CA C 55.509 0.05 1 1955 187 187 LEU CB C 42.821 0.05 1 1956 187 187 LEU CD1 C 25.911 0.05 2 1957 187 187 LEU CD2 C 23.522 0.05 2 1958 187 187 LEU CG C 26.23 0.05 1 1959 187 187 LEU N N 113.163 0.05 1 1960 188 188 LYS H H 9.136 0.05 1 1961 188 188 LYS HA H 4.276 0.05 1 1962 188 188 LYS HB2 H 1.938 0.05 2 1963 188 188 LYS HB3 H 1.894 0.05 2 1964 188 188 LYS HD2 H 1.77 0.05 2 1965 188 188 LYS HD3 H 1.77 0.05 2 1966 188 188 LYS HE2 H 3.085 0.05 2 1967 188 188 LYS HE3 H 3.085 0.05 2 1968 188 188 LYS HG2 H 1.615 0.05 2 1969 188 188 LYS HG3 H 1.522 0.05 2 1970 188 188 LYS C C 179.489 0.05 1 1971 188 188 LYS CA C 58.386 0.05 1 1972 188 188 LYS CB C 31.624 0.05 1 1973 188 188 LYS CD C 29.033 0.05 1 1974 188 188 LYS CE C 42.154 0.05 1 1975 188 188 LYS CG C 24.718 0.05 1 1976 188 188 LYS N N 123.052 0.05 1 1977 189 189 ASN H H 8.478 0.05 1 1978 189 189 ASN HA H 4.63 0.05 1 1979 189 189 ASN HB2 H 2.71 0.05 2 1980 189 189 ASN HB3 H 2.77 0.05 2 1981 189 189 ASN HD21 H 7.635 0.05 2 1982 189 189 ASN HD22 H 6.94 0.05 2 1983 189 189 ASN C C 172.1 0.05 1 1984 189 189 ASN CA C 51.05 0.05 1 1985 189 189 ASN CB C 36.67 0.05 1 1986 189 189 ASN N N 120.2 0.05 1 1987 190 190 ILE H H 8 0.05 1 1988 190 190 ILE HA H 4.433 0.05 1 1989 190 190 ILE HB H 1.758 0.05 1 1990 190 190 ILE HD1 H 0.619 0.05 1 1991 190 190 ILE HG12 H 1.366 0.05 2 1992 190 190 ILE HG13 H 0.872 0.05 2 1993 190 190 ILE HG2 H 0.611 0.05 1 1994 190 190 ILE C C 171.385 0.05 1 1995 190 190 ILE CA C 60.434 0.05 1 1996 190 190 ILE CB C 37.351 0.05 1 1997 190 190 ILE CD1 C 13.003 0.05 1 1998 190 190 ILE CG1 C 26.688 0.05 1 1999 190 190 ILE CG2 C 18.054 0.05 1 2000 190 190 ILE N N 127.429 0.05 1 2001 191 191 LYS H H 8.915 0.05 1 2002 191 191 LYS HA H 4.795 0.05 1 2003 191 191 LYS HB2 H 1.168 0.05 2 2004 191 191 LYS HB3 H 1.815 0.05 2 2005 191 191 LYS HD2 H 1.691 0.05 2 2006 191 191 LYS HD3 H 1.691 0.05 2 2007 191 191 LYS HE2 H 2.921 0.05 2 2008 191 191 LYS HE3 H 3.041 0.05 2 2009 191 191 LYS HG2 H 1.18 0.05 2 2010 191 191 LYS HG3 H 1.767 0.05 2 2011 191 191 LYS C C 174.157 0.05 1 2012 191 191 LYS CA C 55.267 0.05 1 2013 191 191 LYS CB C 34.417 0.05 1 2014 191 191 LYS CD C 30.247 0.05 1 2015 191 191 LYS CE C 42.227 0.05 1 2016 191 191 LYS CG C 26.347 0.05 1 2017 191 191 LYS N N 124.899 0.05 1 2018 192 192 ILE H H 8.765 0.05 1 2019 192 192 ILE HA H 5.112 0.05 1 2020 192 192 ILE HB H 1.716 0.05 1 2021 192 192 ILE HD1 H 0.886 0.05 1 2022 192 192 ILE HG12 H 0.972 0.05 2 2023 192 192 ILE HG13 H 1.568 0.05 2 2024 192 192 ILE HG2 H 0.638 0.05 1 2025 192 192 ILE C C 175.657 0.05 1 2026 192 192 ILE CA C 60.77 0.05 1 2027 192 192 ILE CB C 40.459 0.05 1 2028 192 192 ILE CD1 C 13.81 0.05 1 2029 192 192 ILE CG1 C 28.438 0.05 1 2030 192 192 ILE CG2 C 18.128 0.05 1 2031 192 192 ILE N N 126.034 0.05 1 2032 193 193 VAL H H 8.059 0.05 1 2033 193 193 VAL HA H 5.438 0.05 1 2034 193 193 VAL HB H 1.963 0.05 1 2035 193 193 VAL HG1 H 0.852 0.05 2 2036 193 193 VAL HG2 H 0.994 0.05 2 2037 193 193 VAL C C 176.817 0.05 1 2038 193 193 VAL CA C 60.299 0.05 1 2039 193 193 VAL CB C 35.643 0.05 1 2040 193 193 VAL CG1 C 21.035 0.05 2 2041 193 193 VAL CG2 C 21.418 0.05 2 2042 193 193 VAL N N 119.67 0.05 1 2043 194 194 GLU H H 9.025 0.05 1 2044 194 194 GLU HA H 4.758 0.05 1 2045 194 194 GLU HB2 H 1.919 0.05 2 2046 194 194 GLU HB3 H 1.989 0.05 2 2047 194 194 GLU HG2 H 2.115 0.05 2 2048 194 194 GLU HG3 H 2.279 0.05 2 2049 194 194 GLU C C 173.747 0.05 1 2050 194 194 GLU CA C 54.563 0.05 1 2051 194 194 GLU CB C 34.007 0.05 1 2052 194 194 GLU CG C 36.467 0.05 1 2053 194 194 GLU N N 128.398 0.05 1 2054 195 195 LEU H H 9.668 0.05 1 2055 195 195 LEU HA H 4.989 0.05 1 2056 195 195 LEU HB2 H 1.437 0.05 2 2057 195 195 LEU HB3 H 1.437 0.05 2 2058 195 195 LEU HD1 H 0.616 0.05 2 2059 195 195 LEU HD2 H 0.947 0.05 2 2060 195 195 LEU HG H 1.125 0.05 1 2061 195 195 LEU C C 173.2 0.05 1 2062 195 195 LEU CA C 50.44 0.05 1 2063 195 195 LEU CB C 41.64 0.05 1 2064 195 195 LEU CD1 C 22.84 0.05 2 2065 195 195 LEU CD2 C 22.84 0.05 2 2066 195 195 LEU N N 121.45 0.05 1 2067 196 196 GLU H H 8.394 0.05 1 2068 196 196 GLU HA H 4.17 0.05 1 2069 196 196 GLU HB2 H 2.206 0.05 2 2070 196 196 GLU HB3 H 2.168 0.05 2 2071 196 196 GLU HG2 H 2.353 0.05 2 2072 196 196 GLU HG3 H 2.353 0.05 2 2073 196 196 GLU C C 177.82 0.05 1 2074 196 196 GLU CA C 59.301 0.05 1 2075 196 196 GLU CB C 28.731 0.05 1 2076 196 196 GLU CG C 36.47 0.05 1 2077 196 196 GLU N N 120.47 0.05 1 2078 197 197 ALA H H 8.47 0.05 1 2079 197 197 ALA HA H 4.524 0.05 1 2080 197 197 ALA HB H 1.269 0.05 1 2081 197 197 ALA CA C 48.81 0.05 1 2082 197 197 ALA CB C 14.5 0.05 1 2083 197 197 ALA N N 127.21 0.05 1 2084 198 198 ALA H H 8.717 0.05 1 2085 198 198 ALA HA H 5.23 0.05 1 2086 198 198 ALA HB H 1.24 0.05 1 2087 198 198 ALA C C 170.94 0.05 1 2088 198 198 ALA CA C 48.52 0.05 1 2089 198 198 ALA CB C 16.42 0.05 1 2090 198 198 ALA N N 128.96 0.05 1 2091 199 199 GLN H H 8.732 0.05 1 2092 199 199 GLN HA H 4.132 0.05 1 2093 199 199 GLN HB2 H 2.122 0.05 2 2094 199 199 GLN HB3 H 2.131 0.05 2 2095 199 199 GLN HE21 H 7.647 0.05 2 2096 199 199 GLN HE22 H 6.926 0.05 2 2097 199 199 GLN HG2 H 2.542 0.05 2 2098 199 199 GLN HG3 H 2.458 0.05 2 2099 199 199 GLN C C 179.096 0.05 1 2100 199 199 GLN CA C 59.775 0.05 1 2101 199 199 GLN CB C 27.575 0.05 1 2102 199 199 GLN CG C 34.736 0.05 1 2103 199 199 GLN N N 121.544 0.05 1 2104 199 199 GLN NE2 N 112.258 0.05 1 2105 200 200 LEU H H 8.61 0.05 1 2106 200 200 LEU HA H 4.125 0.05 1 2107 200 200 LEU HB2 H 1.95 0.05 2 2108 200 200 LEU HB3 H 1.295 0.05 2 2109 200 200 LEU HD1 H 0.694 0.05 2 2110 200 200 LEU HD2 H 0.991 0.05 2 2111 200 200 LEU HG H 2.007 0.05 1 2112 200 200 LEU C C 181.119 0.05 1 2113 200 200 LEU CA C 57.998 0.05 1 2114 200 200 LEU CB C 41.294 0.05 1 2115 200 200 LEU CD1 C 25.765 0.05 2 2116 200 200 LEU CD2 C 22.858 0.05 2 2117 200 200 LEU CG C 26.503 0.05 1 2118 200 200 LEU N N 120.104 0.05 1 2119 201 201 PRO HA H 3.923 0.05 1 2120 201 201 PRO HB2 H 1.77 0.05 2 2121 201 201 PRO HB3 H 2.271 0.05 2 2122 201 201 PRO HD2 H 3.129 0.05 2 2123 201 201 PRO HD3 H 3.327 0.05 2 2124 201 201 PRO HG2 H 1.932 0.05 2 2125 201 201 PRO HG3 H 2.024 0.05 2 2126 201 201 PRO C C 179.847 0.05 1 2127 201 201 PRO CA C 65.389 0.05 1 2128 201 201 PRO CB C 31.877 0.05 1 2129 201 201 PRO CD C 50.222 0.05 1 2130 201 201 PRO CG C 27.779 0.05 1 2131 202 202 ARG H H 7.357 0.05 1 2132 202 202 ARG HA H 4.228 0.05 1 2133 202 202 ARG HB2 H 1.888 0.05 2 2134 202 202 ARG HB3 H 1.888 0.05 2 2135 202 202 ARG HD2 H 3.24 0.05 2 2136 202 202 ARG HD3 H 3.24 0.05 2 2137 202 202 ARG HE H 7.258 0.05 1 2138 202 202 ARG HG2 H 1.593 0.05 2 2139 202 202 ARG HG3 H 1.593 0.05 2 2140 202 202 ARG CA C 55.61 0.05 1 2141 202 202 ARG CB C 28.069 0.05 1 2142 202 202 ARG CD C 43.426 0.05 1 2143 202 202 ARG CG C 26.523 0.05 1 2144 202 202 ARG NE N 84.543 0.05 1 2145 203 203 SER H H 7.88 0.05 1 2146 203 203 SER HA H 6.053 0.05 1 2147 203 203 SER HB2 H 3.601 0.05 2 2148 203 203 SER HB3 H 3.601 0.05 2 2149 203 203 SER C C 172.72 0.05 1 2150 203 203 SER CA C 54.43 0.05 1 2151 203 203 SER CB C 65.36 0.05 1 2152 203 203 SER N N 110.46 0.05 1 2153 204 204 ARG H H 9.527 0.05 1 2154 204 204 ARG HA H 6.09 0.05 1 2155 204 204 ARG HB2 H 1.571 0.05 2 2156 204 204 ARG HB3 H 1.72 0.05 2 2157 204 204 ARG HD2 H 3.073 0.05 2 2158 204 204 ARG HD3 H 3.163 0.05 2 2159 204 204 ARG HE H 7.281 0.05 1 2160 204 204 ARG HG2 H 1.597 0.05 2 2161 204 204 ARG HG3 H 1.6 0.05 2 2162 204 204 ARG C C 175.117 0.05 1 2163 204 204 ARG CA C 54.428 0.05 1 2164 204 204 ARG CB C 36.383 0.05 1 2165 204 204 ARG CD C 43.626 0.05 1 2166 204 204 ARG CG C 28.397 0.05 1 2167 204 204 ARG N N 120.796 0.05 1 2168 204 204 ARG NE N 83.632 0.05 1 2169 205 205 ALA H H 8.023 0.05 1 2170 205 205 ALA HA H 3.716 0.05 1 2171 205 205 ALA HB H 1.297 0.05 1 2172 205 205 ALA C C 173.58 0.05 1 2173 205 205 ALA CA C 51.06 0.05 1 2174 205 205 ALA CB C 15.73 0.05 1 2175 205 205 ALA N N 123.21 0.05 1 2176 206 206 ASP H H 8.095 0.05 1 2177 206 206 ASP HA H 4.566 0.05 1 2178 206 206 ASP HB2 H 2.696 0.05 2 2179 206 206 ASP HB3 H 2.702 0.05 2 2180 206 206 ASP C C 174.607 0.05 1 2181 206 206 ASP CA C 54.526 0.05 1 2182 206 206 ASP CB C 42.037 0.05 1 2183 206 206 ASP N N 122.553 0.05 1 2184 207 207 VAL H H 9.37 0.05 1 2185 207 207 VAL HA H 4.65 0.05 1 2186 207 207 VAL HB H 2 0.05 1 2187 207 207 VAL HG1 H 0.97 0.05 2 2188 207 207 VAL HG2 H 0.97 0.05 2 2189 207 207 VAL C C 174.6 0.05 1 2190 207 207 VAL CA C 61.8 0.05 1 2191 207 207 VAL CB C 36.3 0.05 1 2192 207 207 VAL CG1 C 22.5 0.05 2 2193 207 207 VAL CG2 C 22.5 0.05 2 2194 207 207 VAL N N 119.9 0.05 1 2195 208 208 ASP H H 7.76 0.05 1 2196 208 208 ASP HA H 3.975 0.05 1 2197 208 208 ASP HB2 H 1.942 0.05 2 2198 208 208 ASP HB3 H 2.861 0.05 2 2199 208 208 ASP C C 175.197 0.05 1 2200 208 208 ASP CA C 53.19 0.05 1 2201 208 208 ASP CB C 40.966 0.05 1 2202 208 208 ASP N N 110.119 0.05 1 2203 209 209 PHE H H 9.03 0.05 1 2204 209 209 PHE HA H 4.471 0.05 1 2205 209 209 PHE HB2 H 2.853 0.05 2 2206 209 209 PHE HB3 H 3.104 0.05 2 2207 209 209 PHE HD1 H 7.231 0.05 3 2208 209 209 PHE HD2 H 7.231 0.05 3 2209 209 209 PHE HE1 H 7.16 0.05 3 2210 209 209 PHE HE2 H 7.16 0.05 3 2211 209 209 PHE C C 175.747 0.05 1 2212 209 209 PHE CA C 59.433 0.05 1 2213 209 209 PHE CB C 39.767 0.05 1 2214 209 209 PHE CD1 C 131.677 0.05 3 2215 209 209 PHE CD2 C 131.677 0.05 3 2216 209 209 PHE CE1 C 132.497 0.05 3 2217 209 209 PHE CE2 C 132.497 0.05 3 2218 209 209 PHE N N 125.679 0.05 1 2219 210 210 ALA H H 9.534 0.05 1 2220 210 210 ALA HA H 3.766 0.05 1 2221 210 210 ALA HB H 1.61 0.05 1 2222 210 210 ALA C C 175.24 0.05 1 2223 210 210 ALA CA C 52.77 0.05 1 2224 210 210 ALA CB C 14.62 0.05 1 2225 210 210 ALA N N 118.21 0.05 1 2226 211 211 VAL H H 8.473 0.05 1 2227 211 211 VAL HA H 4.732 0.05 1 2228 211 211 VAL HB H 1.846 0.05 1 2229 211 211 VAL HG1 H 0.818 0.05 2 2230 211 211 VAL HG2 H 0.818 0.05 2 2231 211 211 VAL C C 174.08 0.05 1 2232 211 211 VAL CA C 56 0.05 1 2233 211 211 VAL CB C 32.78 0.05 1 2234 211 211 VAL N N 123.26 0.05 1 2235 212 212 VAL H H 7.85 0.05 1 2236 212 212 VAL HA H 4.25 0.05 1 2237 212 212 VAL HB H 1.85 0.05 1 2238 212 212 VAL HG1 H 0.81 0.05 2 2239 212 212 VAL HG2 H 0.74 0.05 2 2240 212 212 VAL C C 175.9 0.05 1 2241 212 212 VAL CA C 62 0.05 1 2242 212 212 VAL CB C 33.2 0.05 1 2243 212 212 VAL CG1 C 21.5 0.05 2 2244 212 212 VAL CG2 C 18.3 0.05 2 2245 212 212 VAL N N 120.3 0.05 1 2246 213 213 ASN H H 8.154 0.05 1 2247 213 213 ASN HA H 4.601 0.05 1 2248 213 213 ASN HB2 H 2.73 0.05 2 2249 213 213 ASN HB3 H 2.78 0.05 2 2250 213 213 ASN HD21 H 7.521 0.05 2 2251 213 213 ASN HD22 H 6.844 0.05 2 2252 213 213 ASN C C 172.63 0.05 1 2253 213 213 ASN CA C 50.9 0.05 1 2254 213 213 ASN CB C 36.36 0.05 1 2255 213 213 ASN N N 118.3 0.05 1 2256 214 214 GLY H H 7.578 0.05 1 2257 214 214 GLY HA2 H 2.766 0.05 2 2258 214 214 GLY HA3 H 4.066 0.05 2 2259 214 214 GLY C C 172.82 0.05 1 2260 214 214 GLY CA C 40.66 0.05 1 2261 214 214 GLY N N 104.86 0.05 1 2262 215 215 ASN H H 8.354 0.05 1 2263 215 215 ASN HA H 4.853 0.05 1 2264 215 215 ASN HB2 H 2.674 0.05 2 2265 215 215 ASN HB3 H 2.929 0.05 2 2266 215 215 ASN HD21 H 7.227 0.05 2 2267 215 215 ASN HD22 H 6.884 0.05 2 2268 215 215 ASN CA C 48.59 0.05 1 2269 215 215 ASN CB C 38.56 0.05 1 2270 215 215 ASN N N 116.93 0.05 1 2271 216 216 TYR H H 7.05 0.05 1 2272 216 216 TYR HA H 4.088 0.05 1 2273 216 216 TYR HB2 H 1.606 0.05 2 2274 216 216 TYR HB3 H 2.068 0.05 2 2275 216 216 TYR HD1 H 5.679 0.05 3 2276 216 216 TYR HD2 H 5.679 0.05 3 2277 216 216 TYR HE1 H 5.971 0.05 3 2278 216 216 TYR HE2 H 5.971 0.05 3 2279 216 216 TYR C C 174.677 0.05 1 2280 216 216 TYR CA C 58.307 0.05 1 2281 216 216 TYR CB C 37.859 0.05 1 2282 216 216 TYR CD1 C 132.617 0.05 3 2283 216 216 TYR CD2 C 132.617 0.05 3 2284 216 216 TYR CE1 C 117.137 0.05 3 2285 216 216 TYR CE2 C 117.137 0.05 3 2286 216 216 TYR N N 115.592 0.05 1 2287 217 217 ALA H H 8.449 0.05 1 2288 217 217 ALA HA H 4.133 0.05 1 2289 217 217 ALA HB H 1.229 0.05 1 2290 217 217 ALA C C 174.508 0.05 1 2291 217 217 ALA CA C 51.7 0.05 1 2292 217 217 ALA CB C 16.851 0.05 1 2293 217 217 ALA N N 123.963 0.05 1 2294 218 218 ILE H H 8.189 0.05 1 2295 218 218 ILE HA H 4.111 0.05 1 2296 218 218 ILE HB H 1.897 0.05 1 2297 218 218 ILE HD1 H 0.375 0.05 1 2298 218 218 ILE HG12 H 0.82 0.05 2 2299 218 218 ILE HG13 H 1.354 0.05 2 2300 218 218 ILE HG2 H 0.732 0.05 1 2301 218 218 ILE C C 177.389 0.05 1 2302 218 218 ILE CA C 58.46 0.05 1 2303 218 218 ILE CB C 35.297 0.05 1 2304 218 218 ILE CD1 C 10.262 0.05 1 2305 218 218 ILE CG1 C 24.63 0.05 1 2306 218 218 ILE CG2 C 16.19 0.05 1 2307 218 218 ILE N N 116.966 0.05 1 2308 219 219 SER H H 7.928 0.05 1 2309 219 219 SER HA H 4.464 0.05 1 2310 219 219 SER HB2 H 4.016 0.05 2 2311 219 219 SER HB3 H 3.973 0.05 2 2312 219 219 SER C C 178.585 0.05 1 2313 219 219 SER CA C 61.319 0.05 1 2314 219 219 SER CB C 63.398 0.05 1 2315 219 219 SER N N 112.315 0.05 1 2316 220 220 SER H H 7.808 0.05 1 2317 220 220 SER HA H 4.63 0.05 1 2318 220 220 SER HB2 H 3.768 0.05 2 2319 220 220 SER HB3 H 3.928 0.05 2 2320 220 220 SER C C 175.567 0.05 1 2321 220 220 SER CA C 55.817 0.05 1 2322 220 220 SER CB C 64.171 0.05 1 2323 220 220 SER N N 113.114 0.05 1 2324 221 221 GLY H H 8.532 0.05 1 2325 221 221 GLY HA2 H 3.451 0.05 2 2326 221 221 GLY HA3 H 4.103 0.05 2 2327 221 221 GLY C C 173.42 0.05 1 2328 221 221 GLY CA C 43.23 0.05 1 2329 221 221 GLY N N 101.43 0.05 1 2330 222 222 MET H H 8.533 0.05 1 2331 222 222 MET HA H 4.551 0.05 1 2332 222 222 MET HB2 H 1.35 0.05 2 2333 222 222 MET HB3 H 1.35 0.05 2 2334 222 222 MET HG2 H 1.573 0.05 2 2335 222 222 MET HG3 H 1.573 0.05 2 2336 222 222 MET C C 173.33 0.05 1 2337 222 222 MET CA C 52.33 0.05 1 2338 222 222 MET CB C 33.49 0.05 1 2339 222 222 MET N N 125.36 0.05 1 2340 223 223 LYS H H 8.406 0.05 1 2341 223 223 LYS HA H 4.359 0.05 1 2342 223 223 LYS HE2 H 3.036 0.05 2 2343 223 223 LYS HE3 H 3.036 0.05 2 2344 223 223 LYS HG2 H 1.466 0.05 2 2345 223 223 LYS HG3 H 1.466 0.05 2 2346 223 223 LYS C C 175.651 0.05 1 2347 223 223 LYS CA C 54.306 0.05 1 2348 223 223 LYS CB C 30.975 0.05 1 2349 223 223 LYS CD C 27.011 0.05 1 2350 223 223 LYS CE C 39.988 0.05 1 2351 223 223 LYS CG C 22.858 0.05 1 2352 223 223 LYS N N 121.324 0.05 1 2353 224 224 LEU H H 8.377 0.05 1 2354 224 224 LEU HA H 4.398 0.05 1 2355 224 224 LEU HB2 H 1.641 0.05 2 2356 224 224 LEU HB3 H 1.71 0.05 2 2357 224 224 LEU HD1 H 0.909 0.05 2 2358 224 224 LEU HD2 H 0.944 0.05 2 2359 224 224 LEU HG H 1.641 0.05 1 2360 224 224 LEU C C 174.698 0.05 1 2361 224 224 LEU CA C 53.112 0.05 1 2362 224 224 LEU CB C 40.25 0.05 1 2363 224 224 LEU CD1 C 21.48 0.05 2 2364 224 224 LEU CD2 C 22.928 0.05 2 2365 224 224 LEU CG C 24.832 0.05 1 2366 224 224 LEU N N 122.812 0.05 1 2367 225 225 THR H H 9.147 0.05 1 2368 225 225 THR HA H 5.62 0.05 1 2369 225 225 THR HB H 3.578 0.05 1 2370 225 225 THR HG2 H 0.93 0.05 1 2371 225 225 THR C C 172.25 0.05 1 2372 225 225 THR CA C 57.97 0.05 1 2373 225 225 THR CB C 70.08 0.05 1 2374 225 225 THR CG2 C 22.84 0.05 1 2375 225 225 THR N N 121.63 0.05 1 2376 226 226 GLU H H 8.417 0.05 1 2377 226 226 GLU HA H 5.374 0.05 1 2378 226 226 GLU HB2 H 1.863 0.05 2 2379 226 226 GLU HB3 H 1.863 0.05 2 2380 226 226 GLU HG2 H 2.098 0.05 2 2381 226 226 GLU HG3 H 2.098 0.05 2 2382 226 226 GLU C C 172.75 0.05 1 2383 226 226 GLU CA C 52.62 0.05 1 2384 226 226 GLU CB C 32.43 0.05 1 2385 226 226 GLU CG C 32.72 0.05 1 2386 226 226 GLU N N 123 0.05 1 2387 227 227 ALA H H 9.49 0.05 1 2388 227 227 ALA HA H 5.363 0.05 1 2389 227 227 ALA HB H 1.295 0.05 1 2390 227 227 ALA C C 177.17 0.05 1 2391 227 227 ALA CA C 47.873 0.05 1 2392 227 227 ALA CB C 21.614 0.05 1 2393 227 227 ALA N N 123.021 0.05 1 2394 228 228 LEU H H 8.991 0.05 1 2395 228 228 LEU HA H 5.305 0.05 1 2396 228 228 LEU HB2 H 2.319 0.05 2 2397 228 228 LEU HB3 H 2.319 0.05 2 2398 228 228 LEU HD1 H 0.907 0.05 2 2399 228 228 LEU HD2 H 0.64 0.05 2 2400 228 228 LEU HG H 1.344 0.05 1 2401 228 228 LEU C C 170.19 0.05 1 2402 228 228 LEU CA C 51.22 0.05 1 2403 228 228 LEU CB C 43.09 0.05 1 2404 228 228 LEU N N 128.24 0.05 1 2405 229 229 PHE H H 9.361 0.05 1 2406 229 229 PHE HA H 4.995 0.05 1 2407 229 229 PHE HB2 H 2.509 0.05 2 2408 229 229 PHE HB3 H 2.859 0.05 2 2409 229 229 PHE HD1 H 7.039 0.05 3 2410 229 229 PHE HD2 H 7.039 0.05 3 2411 229 229 PHE C C 175.427 0.05 1 2412 229 229 PHE CA C 57.997 0.05 1 2413 229 229 PHE CB C 44.296 0.05 1 2414 229 229 PHE CD1 C 131.587 0.05 3 2415 229 229 PHE CD2 C 131.587 0.05 3 2416 229 229 PHE N N 117.644 0.05 1 2417 230 230 GLN H H 8.977 0.05 1 2418 230 230 GLN HA H 5.493 0.05 1 2419 230 230 GLN HB2 H 1.879 0.05 2 2420 230 230 GLN HB3 H 2.118 0.05 2 2421 230 230 GLN HE21 H 7.173 0.05 2 2422 230 230 GLN HE22 H 7.719 0.05 2 2423 230 230 GLN HG2 H 2.271 0.05 2 2424 230 230 GLN HG3 H 2.454 0.05 2 2425 230 230 GLN C C 175.711 0.05 1 2426 230 230 GLN CA C 51.523 0.05 1 2427 230 230 GLN CB C 29.263 0.05 1 2428 230 230 GLN CG C 31.48 0.05 1 2429 230 230 GLN N N 126.481 0.05 1 2430 230 230 GLN NE2 N 112.314 0.05 1 2431 231 231 GLU H H 8.081 0.05 1 2432 231 231 GLU HA H 4.571 0.05 1 2433 231 231 GLU HB2 H 1.708 0.05 2 2434 231 231 GLU HB3 H 2.091 0.05 2 2435 231 231 GLU HG2 H 2.058 0.05 2 2436 231 231 GLU HG3 H 2.07 0.05 2 2437 231 231 GLU C C 175.337 0.05 1 2438 231 231 GLU CA C 54.026 0.05 1 2439 231 231 GLU CB C 30.101 0.05 1 2440 231 231 GLU CG C 35.911 0.05 1 2441 231 231 GLU N N 123.439 0.05 1 2442 232 232 PRO HA H 4.236 0.05 1 2443 232 232 PRO HB2 H 1.826 0.05 2 2444 232 232 PRO HB3 H 2.33 0.05 2 2445 232 232 PRO HD2 H 3.71 0.05 2 2446 232 232 PRO HD3 H 3.71 0.05 2 2447 232 232 PRO HG2 H 1.931 0.05 2 2448 232 232 PRO HG3 H 2.09 0.05 2 2449 232 232 PRO C C 177.377 0.05 1 2450 232 232 PRO CA C 66.083 0.05 1 2451 232 232 PRO CB C 31.51 0.05 1 2452 232 232 PRO CD C 50.427 0.05 1 2453 232 232 PRO CG C 27.827 0.05 1 2454 233 233 SER H H 8.044 0.05 1 2455 233 233 SER HA H 4.335 0.05 1 2456 233 233 SER HB2 H 3.792 0.05 2 2457 233 233 SER HB3 H 4.01 0.05 2 2458 233 233 SER C C 173.627 0.05 1 2459 233 233 SER CA C 60.242 0.05 1 2460 233 233 SER CB C 63.717 0.05 1 2461 233 233 SER N N 116.856 0.05 1 2462 234 234 PHE H H 7.917 0.05 1 2463 234 234 PHE HA H 4.283 0.05 1 2464 234 234 PHE HB2 H 3.503 0.05 2 2465 234 234 PHE HB3 H 3.267 0.05 2 2466 234 234 PHE HD1 H 7.354 0.05 3 2467 234 234 PHE HD2 H 7.354 0.05 3 2468 234 234 PHE HE1 H 7.132 0.05 3 2469 234 234 PHE HE2 H 7.132 0.05 3 2470 234 234 PHE HZ H 6.996 0.05 1 2471 234 234 PHE C C 177.223 0.05 1 2472 234 234 PHE CA C 61.096 0.05 1 2473 234 234 PHE CB C 38.299 0.05 1 2474 234 234 PHE CD1 C 132.2 0.05 3 2475 234 234 PHE CD2 C 132.2 0.05 3 2476 234 234 PHE CE1 C 131 0.05 3 2477 234 234 PHE CE2 C 131 0.05 3 2478 234 234 PHE CZ C 130 0.05 1 2479 234 234 PHE N N 119.861 0.05 1 2480 235 235 ALA H H 8.83 0.05 1 2481 235 235 ALA HA H 4.181 0.05 1 2482 235 235 ALA HB H 1.522 0.05 1 2483 235 235 ALA C C 173.749 0.05 1 2484 235 235 ALA CA C 52.275 0.05 1 2485 235 235 ALA CB C 16.853 0.05 1 2486 235 235 ALA N N 119.713 0.05 1 2487 236 236 TYR H H 7.47 0.05 1 2488 236 236 TYR HA H 4.7 0.05 1 2489 236 236 TYR HB2 H 2.656 0.05 2 2490 236 236 TYR HB3 H 3.059 0.05 2 2491 236 236 TYR HD1 H 6.892 0.05 3 2492 236 236 TYR HD2 H 6.892 0.05 3 2493 236 236 TYR HE1 H 6.585 0.05 3 2494 236 236 TYR HE2 H 6.585 0.05 3 2495 236 236 TYR C C 176.978 0.05 1 2496 236 236 TYR CA C 55.163 0.05 1 2497 236 236 TYR CB C 35.993 0.05 1 2498 236 236 TYR N N 115.624 0.05 1 2499 237 237 VAL H H 7.652 0.05 1 2500 237 237 VAL HA H 3.873 0.05 1 2501 237 237 VAL HB H 1.913 0.05 1 2502 237 237 VAL HG1 H 0.817 0.05 2 2503 237 237 VAL HG2 H 0.914 0.05 2 2504 237 237 VAL C C 176.866 0.05 1 2505 237 237 VAL CA C 63.165 0.05 1 2506 237 237 VAL CB C 31.308 0.05 1 2507 237 237 VAL CG1 C 19.855 0.05 2 2508 237 237 VAL CG2 C 20.022 0.05 2 2509 237 237 VAL N N 117.686 0.05 1 2510 238 238 ASN H H 7.945 0.05 1 2511 238 238 ASN HA H 4.914 0.05 1 2512 238 238 ASN HB2 H 2.548 0.05 2 2513 238 238 ASN HB3 H 2.756 0.05 2 2514 238 238 ASN HD21 H 7.864 0.05 2 2515 238 238 ASN HD22 H 7.005 0.05 2 2516 238 238 ASN C C 173.02 0.05 1 2517 238 238 ASN CA C 50.94 0.05 1 2518 238 238 ASN CB C 36.7 0.05 1 2519 238 238 ASN N N 119.91 0.05 1 2520 239 239 TRP HA H 4.972 0.05 1 2521 239 239 TRP HB2 H 3.51 0.05 2 2522 239 239 TRP HB3 H 3.369 0.05 2 2523 239 239 TRP HD1 H 7.303 0.05 1 2524 239 239 TRP HE1 H 10.242 0.05 1 2525 239 239 TRP HE3 H 7.585 0.05 1 2526 239 239 TRP HH2 H 7.334 0.05 1 2527 239 239 TRP HZ2 H 7.578 0.05 1 2528 239 239 TRP HZ3 H 7.276 0.05 1 2529 239 239 TRP C C 176.294 0.05 1 2530 239 239 TRP CA C 57.078 0.05 1 2531 239 239 TRP CB C 29.006 0.05 1 2532 239 239 TRP CD1 C 127.5 0.05 1 2533 239 239 TRP CE3 C 120.9 0.05 1 2534 239 239 TRP CH2 C 124.7 0.05 1 2535 239 239 TRP CZ2 C 115 0.05 1 2536 239 239 TRP CZ3 C 122.4 0.05 1 2537 239 239 TRP NE1 N 129.418 0.05 1 2538 240 240 SER H H 8.441 0.05 1 2539 240 240 SER HA H 4.266 0.05 1 2540 240 240 SER HB2 H 3.724 0.05 2 2541 240 240 SER HB3 H 3.721 0.05 2 2542 240 240 SER CA C 61.209 0.05 1 2543 240 240 SER CB C 62.569 0.05 1 2544 240 240 SER N N 113.784 0.05 1 2545 241 241 ALA H H 7.661 0.05 1 2546 241 241 ALA HA H 3.974 0.05 1 2547 241 241 ALA HB H 1.288 0.05 1 2548 241 241 ALA C C 171.839 0.05 1 2549 241 241 ALA CA C 52.308 0.05 1 2550 241 241 ALA CB C 16.286 0.05 1 2551 241 241 ALA N N 122.035 0.05 1 2552 242 242 VAL H H 9.132 0.05 1 2553 242 242 VAL HA H 4.396 0.05 1 2554 242 242 VAL HB H 1.78 0.05 1 2555 242 242 VAL HG1 H 0.774 0.05 2 2556 242 242 VAL HG2 H 0.479 0.05 2 2557 242 242 VAL C C 173.437 0.05 1 2558 242 242 VAL CA C 60.374 0.05 1 2559 242 242 VAL CB C 33.411 0.05 1 2560 242 242 VAL CG1 C 21.721 0.05 2 2561 242 242 VAL CG2 C 21.785 0.05 2 2562 242 242 VAL N N 128.363 0.05 1 2563 243 243 LYS H H 8.078 0.05 1 2564 243 243 LYS HA H 4.42 0.05 1 2565 243 243 LYS HB2 H 1.991 0.05 2 2566 243 243 LYS HB3 H 1.991 0.05 2 2567 243 243 LYS HD2 H 1.744 0.05 2 2568 243 243 LYS HD3 H 1.744 0.05 2 2569 243 243 LYS HG2 H 1.501 0.05 2 2570 243 243 LYS HG3 H 1.501 0.05 2 2571 243 243 LYS C C 174.83 0.05 1 2572 243 243 LYS CA C 54.1 0.05 1 2573 243 243 LYS CB C 29.43 0.05 1 2574 243 243 LYS CD C 29.28 0.05 1 2575 243 243 LYS N N 120.32 0.05 1 2576 244 244 THR H H 8.652 0.05 1 2577 244 244 THR HA H 4.738 0.05 1 2578 244 244 THR HB H 3.76 0.05 1 2579 244 244 THR HG2 H 1.232 0.05 1 2580 244 244 THR C C 172.93 0.05 1 2581 244 244 THR CA C 62.25 0.05 1 2582 244 244 THR CB C 65.97 0.05 1 2583 244 244 THR CG2 C 19.82 0.05 1 2584 244 244 THR N N 114.28 0.05 1 2585 245 245 ALA H H 7.519 0.05 1 2586 245 245 ALA HA H 4.049 0.05 1 2587 245 245 ALA HB H 1.435 0.05 1 2588 245 245 ALA C C 172.756 0.05 1 2589 245 245 ALA CA C 52.215 0.05 1 2590 245 245 ALA CB C 15.881 0.05 1 2591 245 245 ALA N N 120.965 0.05 1 2592 246 246 ASP H H 8.458 0.05 1 2593 246 246 ASP HA H 5.39 0.05 1 2594 246 246 ASP HB2 H 3.302 0.05 2 2595 246 246 ASP HB3 H 2.987 0.05 2 2596 246 246 ASP C C 175.649 0.05 1 2597 246 246 ASP CA C 54.694 0.05 1 2598 246 246 ASP CB C 41.816 0.05 1 2599 246 246 ASP N N 118.275 0.05 1 2600 247 247 LYS H H 9.488 0.05 1 2601 247 247 LYS HA H 4.663 0.05 1 2602 247 247 LYS HB2 H 1.555 0.05 2 2603 247 247 LYS HB3 H 1.819 0.05 2 2604 247 247 LYS HD2 H 1.617 0.05 2 2605 247 247 LYS HD3 H 1.617 0.05 2 2606 247 247 LYS HE2 H 2.817 0.05 2 2607 247 247 LYS HE3 H 2.883 0.05 2 2608 247 247 LYS HG2 H 1.262 0.05 2 2609 247 247 LYS HG3 H 1.262 0.05 2 2610 247 247 LYS C C 174.217 0.05 1 2611 247 247 LYS CA C 54.674 0.05 1 2612 247 247 LYS CB C 36.067 0.05 1 2613 247 247 LYS CD C 29.072 0.05 1 2614 247 247 LYS CE C 42.07 0.05 1 2615 247 247 LYS CG C 24.803 0.05 1 2616 247 247 LYS N N 122.783 0.05 1 2617 248 248 ASP H H 7.514 0.05 1 2618 248 248 ASP HA H 4.431 0.05 1 2619 248 248 ASP HB2 H 2.772 0.05 2 2620 248 248 ASP HB3 H 2.805 0.05 2 2621 248 248 ASP C C 178.297 0.05 1 2622 248 248 ASP CA C 56.805 0.05 1 2623 248 248 ASP CB C 40.291 0.05 1 2624 248 248 ASP N N 119.862 0.05 1 2625 249 249 SER H H 8.677 0.05 1 2626 249 249 SER HA H 3.801 0.05 1 2627 249 249 SER HB2 H 3.7 0.05 2 2628 249 249 SER HB3 H 3.705 0.05 2 2629 249 249 SER C C 176.361 0.05 1 2630 249 249 SER CA C 61.361 0.05 1 2631 249 249 SER CB C 62.618 0.05 1 2632 249 249 SER N N 118.722 0.05 1 2633 250 250 GLN H H 8.459 0.05 1 2634 250 250 GLN HA H 4.454 0.05 1 2635 250 250 GLN HB2 H 1.831 0.05 2 2636 250 250 GLN HB3 H 1.99 0.05 2 2637 250 250 GLN HE21 H 6.491 0.05 2 2638 250 250 GLN HE22 H 7.42 0.05 2 2639 250 250 GLN HG2 H 2.213 0.05 2 2640 250 250 GLN HG3 H 2.213 0.05 2 2641 250 250 GLN C C 175.537 0.05 1 2642 250 250 GLN CA C 54.665 0.05 1 2643 250 250 GLN CB C 28.296 0.05 1 2644 250 250 GLN CG C 33.571 0.05 1 2645 250 250 GLN N N 123.433 0.05 1 2646 250 250 GLN NE2 N 110.851 0.05 1 2647 251 251 TRP H H 8.093 0.05 1 2648 251 251 TRP HA H 4.74 0.05 1 2649 251 251 TRP HB2 H 3.55 0.05 2 2650 251 251 TRP HB3 H 3.028 0.05 2 2651 251 251 TRP HD1 H 7.71 0.05 1 2652 251 251 TRP HE1 H 10.32 0.05 1 2653 251 251 TRP HE3 H 8.26 0.05 1 2654 251 251 TRP HH2 H 7.241 0.05 1 2655 251 251 TRP HZ2 H 7.516 0.05 1 2656 251 251 TRP HZ3 H 7.353 0.05 1 2657 251 251 TRP C C 175.841 0.05 1 2658 251 251 TRP CA C 58.245 0.05 1 2659 251 251 TRP CB C 32.953 0.05 1 2660 251 251 TRP CD1 C 127.7 0.05 1 2661 251 251 TRP CE3 C 121.9 0.05 1 2662 251 251 TRP CH2 C 124.5 0.05 1 2663 251 251 TRP CZ2 C 115.1 0.05 1 2664 251 251 TRP CZ3 C 121.8 0.05 1 2665 251 251 TRP N N 123.257 0.05 1 2666 251 251 TRP NE1 N 129.993 0.05 1 2667 252 252 LEU H H 8.652 0.05 1 2668 252 252 LEU HA H 4.65 0.05 1 2669 252 252 LEU HB2 H 0.321 0.05 2 2670 252 252 LEU HB3 H 0.321 0.05 2 2671 252 252 LEU HD1 H -0.353 0.05 2 2672 252 252 LEU HD2 H -0.353 0.05 2 2673 252 252 LEU HG H -0.003 0.05 1 2674 252 252 LEU CA C 50.65 0.05 1 2675 252 252 LEU CB C 41 0.05 1 2676 252 252 LEU CG C 23.86 0.05 1 2677 252 252 LEU N N 124.86 0.05 1 2678 253 253 LYS H H 7.755 0.05 1 2679 253 253 LYS HA H 4.148 0.05 1 2680 253 253 LYS HB2 H 2.248 0.05 2 2681 253 253 LYS HB3 H 2.248 0.05 2 2682 253 253 LYS HD2 H 1.78 0.05 2 2683 253 253 LYS HD3 H 1.957 0.05 2 2684 253 253 LYS HE2 H 2.989 0.05 2 2685 253 253 LYS HE3 H 2.989 0.05 2 2686 253 253 LYS HG2 H 1.548 0.05 2 2687 253 253 LYS HG3 H 1.548 0.05 2 2688 253 253 LYS C C 174.3 0.05 1 2689 253 253 LYS CA C 55.21 0.05 1 2690 253 253 LYS CB C 30.39 0.05 1 2691 253 253 LYS N N 121.57 0.05 1 2692 254 254 ASP H H 8.433 0.05 1 2693 254 254 ASP HA H 4.441 0.05 1 2694 254 254 ASP HB2 H 2.722 0.05 2 2695 254 254 ASP HB3 H 2.541 0.05 2 2696 254 254 ASP C C 179.433 0.05 1 2697 254 254 ASP CA C 57.235 0.05 1 2698 254 254 ASP CB C 40.545 0.05 1 2699 254 254 ASP N N 119.64 0.05 1 2700 255 255 VAL H H 8.126 0.05 1 2701 255 255 VAL HA H 4.199 0.05 1 2702 255 255 VAL HB H 2.321 0.05 1 2703 255 255 VAL HG1 H 0.985 0.05 2 2704 255 255 VAL HG2 H 0.909 0.05 2 2705 255 255 VAL C C 173.341 0.05 1 2706 255 255 VAL CA C 62.93 0.05 1 2707 255 255 VAL CB C 30.659 0.05 1 2708 255 255 VAL CG1 C 21.987 0.05 2 2709 255 255 VAL CG2 C 21.53 0.05 2 2710 255 255 VAL N N 128.491 0.05 1 2711 256 256 THR H H 8.22 0.05 1 2712 256 256 THR HA H 4.405 0.05 1 2713 256 256 THR HB H 4.276 0.05 1 2714 256 256 THR HG2 H 1.245 0.05 1 2715 256 256 THR C C 174.292 0.05 1 2716 256 256 THR CA C 61.691 0.05 1 2717 256 256 THR CB C 69.84 0.05 1 2718 256 256 THR CG2 C 21.678 0.05 1 2719 256 256 THR N N 116.917 0.05 1 2720 257 257 GLU H H 8.379 0.05 1 2721 257 257 GLU HA H 4.152 0.05 1 2722 257 257 GLU HB2 H 1.803 0.05 2 2723 257 257 GLU HB3 H 1.803 0.05 2 2724 257 257 GLU HG2 H 2.087 0.05 2 2725 257 257 GLU HG3 H 2.143 0.05 2 2726 257 257 GLU C C 175.787 0.05 1 2727 257 257 GLU CA C 56.408 0.05 1 2728 257 257 GLU CB C 30.437 0.05 1 2729 257 257 GLU CG C 36.187 0.05 1 2730 257 257 GLU N N 124.499 0.05 1 2731 258 258 ALA H H 7.846 0.05 1 2732 258 258 ALA HA H 4.209 0.05 1 2733 258 258 ALA HB H 1.51 0.05 1 2734 258 258 ALA C C 173.606 0.05 1 2735 258 258 ALA CA C 52.306 0.05 1 2736 258 258 ALA CB C 16.446 0.05 1 2737 258 258 ALA N N 120.496 0.05 1 2738 259 259 TYR H H 8.942 0.05 1 2739 259 259 TYR HA H 4.7 0.05 1 2740 259 259 TYR HB2 H 3.161 0.05 2 2741 259 259 TYR HB3 H 3.304 0.05 2 2742 259 259 TYR HD1 H 6.918 0.05 3 2743 259 259 TYR HD2 H 6.918 0.05 3 2744 259 259 TYR HE1 H 6.683 0.05 3 2745 259 259 TYR HE2 H 6.683 0.05 3 2746 259 259 TYR C C 178.367 0.05 1 2747 259 259 TYR CA C 58.877 0.05 1 2748 259 259 TYR CB C 40.917 0.05 1 2749 259 259 TYR CD1 C 133.861 0.05 3 2750 259 259 TYR CD2 C 133.861 0.05 3 2751 259 259 TYR CE1 C 117.734 0.05 3 2752 259 259 TYR CE2 C 117.734 0.05 3 2753 259 259 TYR N N 126.538 0.05 1 2754 260 260 ASN H H 7.684 0.05 1 2755 260 260 ASN HA H 4.793 0.05 1 2756 260 260 ASN HB2 H 2.665 0.05 2 2757 260 260 ASN HB3 H 3.006 0.05 2 2758 260 260 ASN HD21 H 7.341 0.05 2 2759 260 260 ASN HD22 H 7.134 0.05 2 2760 260 260 ASN C C 175.16 0.05 1 2761 260 260 ASN CA C 50.8 0.05 1 2762 260 260 ASN CB C 37.4 0.05 1 2763 260 260 ASN N N 120.26 0.05 1 2764 261 261 SER H H 7.789 0.05 1 2765 261 261 SER HA H 4.677 0.05 1 2766 261 261 SER HB2 H 4.123 0.05 2 2767 261 261 SER HB3 H 4.132 0.05 2 2768 261 261 SER C C 175.888 0.05 1 2769 261 261 SER CA C 58.686 0.05 1 2770 261 261 SER CB C 66.826 0.05 1 2771 261 261 SER N N 117.029 0.05 1 2772 262 262 ASP H H 7.395 0.05 1 2773 262 262 ASP HA H 4.441 0.05 1 2774 262 262 ASP HB2 H 2.866 0.05 2 2775 262 262 ASP HB3 H 2.866 0.05 2 2776 262 262 ASP C C 178.274 0.05 1 2777 262 262 ASP CA C 58.135 0.05 1 2778 262 262 ASP CB C 40.775 0.05 1 2779 262 262 ASP N N 122.765 0.05 1 2780 263 263 ALA H H 7.846 0.05 1 2781 263 263 ALA HA H 4.209 0.05 1 2782 263 263 ALA HB H 1.51 0.05 1 2783 263 263 ALA C C 173.606 0.05 1 2784 263 263 ALA CA C 52.306 0.05 1 2785 263 263 ALA CB C 16.446 0.05 1 2786 263 263 ALA N N 120.496 0.05 1 2787 264 264 PHE H H 7.791 0.05 1 2788 264 264 PHE HA H 3.855 0.05 1 2789 264 264 PHE HB2 H 3.166 0.05 2 2790 264 264 PHE HB3 H 3.299 0.05 2 2791 264 264 PHE HD1 H 7.109 0.05 3 2792 264 264 PHE HD2 H 7.109 0.05 3 2793 264 264 PHE HE1 H 7.406 0.05 3 2794 264 264 PHE HE2 H 7.406 0.05 3 2795 264 264 PHE C C 172.786 0.05 1 2796 264 264 PHE CA C 56.067 0.05 1 2797 264 264 PHE CB C 34.161 0.05 1 2798 264 264 PHE N N 122.045 0.05 1 2799 265 265 LYS H H 7.464 0.05 1 2800 265 265 LYS HA H 5.077 0.05 1 2801 265 265 LYS HB2 H 1.322 0.05 2 2802 265 265 LYS HB3 H 1.503 0.05 2 2803 265 265 LYS HD2 H 1.538 0.05 2 2804 265 265 LYS HD3 H 1.586 0.05 2 2805 265 265 LYS HE2 H 2.888 0.05 2 2806 265 265 LYS HE3 H 2.888 0.05 2 2807 265 265 LYS HG2 H 1.008 0.05 2 2808 265 265 LYS HG3 H 1.274 0.05 2 2809 265 265 LYS C C 177.011 0.05 1 2810 265 265 LYS CA C 52.638 0.05 1 2811 265 265 LYS CB C 32.042 0.05 1 2812 265 265 LYS CD C 27.698 0.05 1 2813 265 265 LYS CE C 40.132 0.05 1 2814 265 265 LYS CG C 23.324 0.05 1 2815 265 265 LYS N N 117.804 0.05 1 2816 266 266 ALA H H 8.05 0.05 1 2817 266 266 ALA HA H 4.624 0.05 1 2818 266 266 ALA HB H 1.523 0.05 1 2819 266 266 ALA C C 173.993 0.05 1 2820 266 266 ALA CA C 50.495 0.05 1 2821 266 266 ALA CB C 17.967 0.05 1 2822 266 266 ALA N N 122.791 0.05 1 2823 267 267 TYR H H 8.338 0.05 1 2824 267 267 TYR HA H 4.322 0.05 1 2825 267 267 TYR HB2 H 2.966 0.05 2 2826 267 267 TYR HB3 H 2.738 0.05 2 2827 267 267 TYR HD1 H 7.189 0.05 3 2828 267 267 TYR HD2 H 7.189 0.05 3 2829 267 267 TYR HE1 H 6.876 0.05 3 2830 267 267 TYR HE2 H 6.876 0.05 3 2831 267 267 TYR CA C 59.761 0.05 1 2832 267 267 TYR CB C 38.85 0.05 1 2833 267 267 TYR CD1 C 133.3 0.05 3 2834 267 267 TYR CD2 C 133.3 0.05 3 2835 267 267 TYR CE1 C 117.8 0.05 3 2836 267 267 TYR CE2 C 117.8 0.05 3 2837 268 268 ALA H H 7.943 0.05 1 2838 268 268 ALA HA H 3.799 0.05 1 2839 268 268 ALA HB H 0.541 0.05 1 2840 268 268 ALA C C 172.82 0.05 1 2841 268 268 ALA CA C 52.507 0.05 1 2842 268 268 ALA CB C 15.927 0.05 1 2843 268 268 ALA N N 121.222 0.05 1 2844 269 269 HIS H H 8.833 0.05 1 2845 269 269 HIS HA H 4.156 0.05 1 2846 269 269 HIS HB2 H 3.281 0.05 2 2847 269 269 HIS HB3 H 3.281 0.05 2 2848 269 269 HIS HD2 H 6.969 0.05 1 2849 269 269 HIS HE1 H 8.019 0.05 1 2850 269 269 HIS C C 175.94 0.05 1 2851 269 269 HIS CA C 60.045 0.05 1 2852 269 269 HIS CB C 29.814 0.05 1 2853 269 269 HIS CD2 C 118.1 0.05 1 2854 269 269 HIS CE1 C 138.9 0.05 1 2855 269 269 HIS N N 118.551 0.05 1 2856 270 270 LYS H H 11.502 0.05 1 2857 270 270 LYS HA H 4.405 0.05 1 2858 270 270 LYS HB2 H 1.9 0.05 2 2859 270 270 LYS HB3 H 1.772 0.05 2 2860 270 270 LYS HD2 H 1.704 0.05 2 2861 270 270 LYS HD3 H 1.708 0.05 2 2862 270 270 LYS HE2 H 3.021 0.05 2 2863 270 270 LYS HE3 H 3.022 0.05 2 2864 270 270 LYS HG2 H 1.522 0.05 2 2865 270 270 LYS HG3 H 1.449 0.05 2 2866 270 270 LYS C C 178.152 0.05 1 2867 270 270 LYS CA C 56.604 0.05 1 2868 270 270 LYS CB C 33.538 0.05 1 2869 270 270 LYS CD C 28.89 0.05 1 2870 270 270 LYS CE C 42.092 0.05 1 2871 270 270 LYS CG C 25.141 0.05 1 2872 270 270 LYS N N 125.64 0.05 1 2873 271 271 ARG H H 7.968 0.05 1 2874 271 271 ARG HA H 4.711 0.05 1 2875 271 271 ARG HB2 H 2.599 0.05 2 2876 271 271 ARG HB3 H 1.699 0.05 2 2877 271 271 ARG HD2 H 3.556 0.05 2 2878 271 271 ARG HD3 H 3.109 0.05 2 2879 271 271 ARG HE H 7.294 0.05 1 2880 271 271 ARG HG2 H 2.132 0.05 2 2881 271 271 ARG HG3 H 1.951 0.05 2 2882 271 271 ARG C C 174.332 0.05 1 2883 271 271 ARG CA C 57.042 0.05 1 2884 271 271 ARG CB C 32.234 0.05 1 2885 271 271 ARG CD C 43.721 0.05 1 2886 271 271 ARG CG C 27.709 0.05 1 2887 271 271 ARG N N 113.574 0.05 1 2888 271 271 ARG NE N 80.454 0.05 1 2889 272 272 PHE H H 8.815 0.05 1 2890 272 272 PHE HA H 4.486 0.05 1 2891 272 272 PHE HB2 H 3.112 0.05 2 2892 272 272 PHE HB3 H 2.893 0.05 2 2893 272 272 PHE HD1 H 7.234 0.05 3 2894 272 272 PHE HD2 H 7.234 0.05 3 2895 272 272 PHE HE1 H 7.309 0.05 3 2896 272 272 PHE HE2 H 7.31 0.05 3 2897 272 272 PHE HZ H 7.386 0.05 1 2898 272 272 PHE C C 174.474 0.05 1 2899 272 272 PHE CA C 56.396 0.05 1 2900 272 272 PHE CB C 38.029 0.05 1 2901 272 272 PHE CD1 C 130.8 0.05 3 2902 272 272 PHE CD2 C 130.8 0.05 3 2903 272 272 PHE CE1 C 131.841 0.05 3 2904 272 272 PHE CE2 C 131.814 0.05 3 2905 272 272 PHE CZ C 131.8 0.05 1 2906 272 272 PHE N N 122.218 0.05 1 2907 273 273 GLU H H 8.14 0.05 1 2908 273 273 GLU HA H 3.958 0.05 1 2909 273 273 GLU HB2 H 2.039 0.05 2 2910 273 273 GLU HB3 H 2.039 0.05 2 2911 273 273 GLU HG2 H 2.197 0.05 2 2912 273 273 GLU HG3 H 2.318 0.05 2 2913 273 273 GLU C C 177.657 0.05 1 2914 273 273 GLU CA C 57.82 0.05 1 2915 273 273 GLU CB C 29.207 0.05 1 2916 273 273 GLU CG C 36.628 0.05 1 2917 273 273 GLU N N 114.266 0.05 1 2918 274 274 GLY H H 8.108 0.05 1 2919 274 274 GLY HA2 H 3.824 0.05 2 2920 274 274 GLY HA3 H 4.252 0.05 2 2921 274 274 GLY C C 179.788 0.05 1 2922 274 274 GLY CA C 44.447 0.05 1 2923 274 274 GLY N N 109.307 0.05 1 2924 275 275 TYR H H 7.796 0.05 1 2925 275 275 TYR HA H 5.151 0.05 1 2926 275 275 TYR HB2 H 3.095 0.05 2 2927 275 275 TYR HB3 H 2.806 0.05 2 2928 275 275 TYR HD1 H 6.942 0.05 3 2929 275 275 TYR HD2 H 6.942 0.05 3 2930 275 275 TYR HE1 H 6.58 0.05 3 2931 275 275 TYR HE2 H 6.58 0.05 3 2932 275 275 TYR C C 172.503 0.05 1 2933 275 275 TYR CA C 55.176 0.05 1 2934 275 275 TYR CB C 41.041 0.05 1 2935 275 275 TYR CD1 C 134.2 0.05 3 2936 275 275 TYR CD2 C 134.2 0.05 3 2937 275 275 TYR CE1 C 117.744 0.05 3 2938 275 275 TYR CE2 C 117.744 0.05 3 2939 275 275 TYR N N 123.632 0.05 1 2940 276 276 LYS H H 10.29 0.05 1 2941 276 276 LYS HA H 4.508 0.05 1 2942 276 276 LYS HB2 H 1.799 0.05 2 2943 276 276 LYS HB3 H 2.078 0.05 2 2944 276 276 LYS HD2 H 1.756 0.05 2 2945 276 276 LYS HD3 H 1.756 0.05 2 2946 276 276 LYS HE2 H 3.078 0.05 2 2947 276 276 LYS HE3 H 3.078 0.05 2 2948 276 276 LYS HG2 H 1.518 0.05 2 2949 276 276 LYS HG3 H 1.639 0.05 2 2950 276 276 LYS HZ H 7.736 0.05 1 2951 276 276 LYS C C 174.646 0.05 1 2952 276 276 LYS CA C 53.327 0.05 1 2953 276 276 LYS CB C 30.091 0.05 1 2954 276 276 LYS CD C 26.7 0.05 1 2955 276 276 LYS CE C 40.008 0.05 1 2956 276 276 LYS CG C 23.294 0.05 1 2957 276 276 LYS N N 118.566 0.05 1 2958 277 277 SER H H 8.721 0.05 1 2959 277 277 SER HA H 5.367 0.05 1 2960 277 277 SER HB2 H 3.909 0.05 2 2961 277 277 SER HB3 H 3.853 0.05 2 2962 277 277 SER C C 173.691 0.05 1 2963 277 277 SER CA C 57.525 0.05 1 2964 277 277 SER CB C 64.889 0.05 1 2965 277 277 SER N N 116.598 0.05 1 2966 278 278 PRO HA H 4.369 0.05 1 2967 278 278 PRO HB2 H 2.038 0.05 2 2968 278 278 PRO HB3 H 2.262 0.05 2 2969 278 278 PRO HD2 H 3.66 0.05 2 2970 278 278 PRO HD3 H 3.832 0.05 2 2971 278 278 PRO HG2 H 1.877 0.05 2 2972 278 278 PRO HG3 H 1.934 0.05 2 2973 278 278 PRO CA C 60.78 0.05 1 2974 278 278 PRO CB C 28.59 0.05 1 2975 278 278 PRO CD C 48.95 0.05 1 2976 278 278 PRO CG C 29.99 0.05 1 2977 279 279 ALA H H 8.089 0.05 1 2978 279 279 ALA HA H 4.258 0.05 1 2979 279 279 ALA HB H 1.332 0.05 1 2980 279 279 ALA CA C 48.949 0.05 1 2981 279 279 ALA CB C 15.114 0.05 1 2982 279 279 ALA N N 123.975 0.05 1 2983 280 280 ALA H H 8.356 0.05 1 2984 280 280 ALA HA H 4.081 0.05 1 2985 280 280 ALA HB H 1.489 0.05 1 2986 280 280 ALA C C 172.871 0.05 1 2987 280 280 ALA CA C 53.152 0.05 1 2988 280 280 ALA CB C 16.66 0.05 1 2989 280 280 ALA N N 123.106 0.05 1 2990 281 281 TRP H H 8.298 0.05 1 2991 281 281 TRP HA H 4.562 0.05 1 2992 281 281 TRP HB2 H 3.213 0.05 2 2993 281 281 TRP HB3 H 3.462 0.05 2 2994 281 281 TRP HD1 H 7.383 0.05 1 2995 281 281 TRP HE1 H 10.214 0.05 1 2996 281 281 TRP HE3 H 7.152 0.05 1 2997 281 281 TRP HH2 H 6.902 0.05 1 2998 281 281 TRP HZ2 H 7.427 0.05 1 2999 281 281 TRP C C 180.597 0.05 1 3000 281 281 TRP CA C 59.217 0.05 1 3001 281 281 TRP CB C 29.755 0.05 1 3002 281 281 TRP CD1 C 130.127 0.05 1 3003 281 281 TRP CE3 C 129.297 0.05 1 3004 281 281 TRP CH2 C 123.879 0.05 1 3005 281 281 TRP CZ2 C 114.933 0.05 1 3006 281 281 TRP N N 116.867 0.05 1 3007 281 281 TRP NE1 N 128.891 0.05 1 3008 282 282 ASN H H 8.288 0.05 1 3009 282 282 ASN HA H 4.485 0.05 1 3010 282 282 ASN HB2 H 2.828 0.05 2 3011 282 282 ASN HB3 H 2.828 0.05 2 3012 282 282 ASN HD21 H 6.922 0.05 2 3013 282 282 ASN HD22 H 7.633 0.05 2 3014 282 282 ASN C C 174.312 0.05 1 3015 282 282 ASN CA C 54.088 0.05 1 3016 282 282 ASN CB C 36.238 0.05 1 3017 282 282 ASN N N 114.978 0.05 1 3018 282 282 ASN ND2 N 111.424 0.05 1 3019 283 283 GLU H H 8.401 0.05 1 3020 283 283 GLU HA H 4.197 0.05 1 3021 283 283 GLU HB2 H 2.09 0.05 2 3022 283 283 GLU HB3 H 2.206 0.05 2 3023 283 283 GLU HG2 H 2.804 0.05 2 3024 283 283 GLU HG3 H 2.872 0.05 2 3025 283 283 GLU C C 171.754 0.05 1 3026 283 283 GLU CA C 58.714 0.05 1 3027 283 283 GLU CB C 27.262 0.05 1 3028 283 283 GLU CG C 35.379 0.05 1 3029 283 283 GLU N N 117.889 0.05 1 3030 284 284 GLY H H 8.915 0.05 1 3031 284 284 GLY HA2 H 3.697 0.05 2 3032 284 284 GLY HA3 H 4.042 0.05 2 3033 284 284 GLY C C 174.607 0.05 1 3034 284 284 GLY CA C 45.167 0.05 1 3035 284 284 GLY N N 110.098 0.05 1 3036 285 285 ALA H H 8.913 0.05 1 3037 285 285 ALA HA H 4.558 0.05 1 3038 285 285 ALA HB H 1.226 0.05 1 3039 285 285 ALA C C 176.648 0.05 1 3040 285 285 ALA CA C 53.072 0.05 1 3041 285 285 ALA CB C 18.635 0.05 1 3042 285 285 ALA N N 129.854 0.05 1 3043 286 286 ALA H H 9.072 0.05 1 3044 286 286 ALA HA H 3.732 0.05 1 3045 286 286 ALA HB H 1.496 0.05 1 3046 286 286 ALA C C 179.481 0.05 1 3047 286 286 ALA CA C 56.627 0.05 1 3048 286 286 ALA CB C 18.743 0.05 1 3049 286 286 ALA N N 126.843 0.05 1 3050 287 287 LYS H H 7.629 0.05 1 3051 287 287 LYS HA H 4.743 0.05 1 3052 287 287 LYS HB2 H 1.984 0.05 2 3053 287 287 LYS HB3 H 1.984 0.05 2 3054 287 287 LYS HD2 H 1.753 0.05 2 3055 287 287 LYS HD3 H 1.825 0.05 2 3056 287 287 LYS HE2 H 3.041 0.05 2 3057 287 287 LYS HE3 H 3.041 0.05 2 3058 287 287 LYS HG2 H 1.47 0.05 2 3059 287 287 LYS HG3 H 1.47 0.05 2 3060 287 287 LYS C C 170.93 0.05 1 3061 287 287 LYS CA C 51.81 0.05 1 3062 287 287 LYS CB C 32.97 0.05 1 3063 287 287 LYS CE C 40.83 0.05 1 3064 287 287 LYS CG C 22.32 0.05 1 3065 287 287 LYS N N 120.35 0.05 1 stop_ save_