data_17126 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assigment of Heparanase construct Hep158-417 ; _BMRB_accession_number 17126 _BMRB_flat_file_name bmr17126.str _Entry_type original _Submission_date 2010-08-13 _Accession_date 2010-08-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR assigment of Heparanase construct Hep158-417' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Mosulen Machuca' Silvia . . 2 Orti Leticia . . 3 Bas Esperanza . . 4 Carbajo Rodrigo J. . 5 Pineda-Lucena Antonio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1369 "13C chemical shifts" 797 "15N chemical shifts" 258 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-02 original author . stop_ _Original_release_date 2010-09-02 save_ ############################# # Citation for this entry # ############################# save_Heparanase_158-417 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assigned Chemical Shifts for Heparanase 158-417' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Mosulen Machuca' Silvia . . 2 Orti Leticia . . 3 Bas Esperanza . . 4 Carbajo Rodrigo J. . 5 Pineda-Lucena Antonio . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Heparanase 158-417' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit 1' $HEP158-417 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_HEP158-417 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HEP158-417 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'b-D-glucosidase implicated in angiogenesis and metastatic process. This enzyme is able to degrade one of the components of extracelullar matrix, the heparan sulphate' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 282 _Mol_residue_sequence ; GSSHHHHHHSSGRENLYFQG HMKKFKNSTYSRSSVDVLYT FANCSGLDLIFGLNALLRTA DLQWNSSNAQLLLDYCSSKG YNISWELGNEPNSFLKKADI FINGSQLGEDFIQLHKLLRK STFKNAKLYGPDVGQPRRKT AKMLKSFLKAGGEVIDSVTW HHYYLNGRTATREDFLNPDV LDIFISSVQKVFQVVESTRP GKKVWLGETSSAYGGGAPLL SDTFAAGFMWLDKLGLSARM GIEVVMRQVFFGAGNYHLVD ENFDPLPDYWLSLLFKKLVG TK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -21 GLY 2 -20 SER 3 -19 SER 4 -18 HIS 5 -17 HIS 6 -16 HIS 7 -15 HIS 8 -14 HIS 9 -13 HIS 10 -12 SER 11 -11 SER 12 -10 GLY 13 -9 ARG 14 -8 GLU 15 -7 ASN 16 -6 LEU 17 -5 TYR 18 -4 PHE 19 -3 GLN 20 -2 GLY 21 -1 HIS 22 0 MET 23 1 LYS 24 2 LYS 25 3 PHE 26 4 LYS 27 5 ASN 28 6 SER 29 7 THR 30 8 TYR 31 9 SER 32 10 ARG 33 11 SER 34 12 SER 35 13 VAL 36 14 ASP 37 15 VAL 38 16 LEU 39 17 TYR 40 18 THR 41 19 PHE 42 20 ALA 43 21 ASN 44 22 CYS 45 23 SER 46 24 GLY 47 25 LEU 48 26 ASP 49 27 LEU 50 28 ILE 51 29 PHE 52 30 GLY 53 31 LEU 54 32 ASN 55 33 ALA 56 34 LEU 57 35 LEU 58 36 ARG 59 37 THR 60 38 ALA 61 39 ASP 62 40 LEU 63 41 GLN 64 42 TRP 65 43 ASN 66 44 SER 67 45 SER 68 46 ASN 69 47 ALA 70 48 GLN 71 49 LEU 72 50 LEU 73 51 LEU 74 52 ASP 75 53 TYR 76 54 CYS 77 55 SER 78 56 SER 79 57 LYS 80 58 GLY 81 59 TYR 82 60 ASN 83 61 ILE 84 62 SER 85 63 TRP 86 64 GLU 87 65 LEU 88 66 GLY 89 67 ASN 90 68 GLU 91 69 PRO 92 70 ASN 93 71 SER 94 72 PHE 95 73 LEU 96 74 LYS 97 75 LYS 98 76 ALA 99 77 ASP 100 78 ILE 101 79 PHE 102 80 ILE 103 81 ASN 104 82 GLY 105 83 SER 106 84 GLN 107 85 LEU 108 86 GLY 109 87 GLU 110 88 ASP 111 89 PHE 112 90 ILE 113 91 GLN 114 92 LEU 115 93 HIS 116 94 LYS 117 95 LEU 118 96 LEU 119 97 ARG 120 98 LYS 121 99 SER 122 100 THR 123 101 PHE 124 102 LYS 125 103 ASN 126 104 ALA 127 105 LYS 128 106 LEU 129 107 TYR 130 108 GLY 131 109 PRO 132 110 ASP 133 111 VAL 134 112 GLY 135 113 GLN 136 114 PRO 137 115 ARG 138 116 ARG 139 117 LYS 140 118 THR 141 119 ALA 142 120 LYS 143 121 MET 144 122 LEU 145 123 LYS 146 124 SER 147 125 PHE 148 126 LEU 149 127 LYS 150 128 ALA 151 129 GLY 152 130 GLY 153 131 GLU 154 132 VAL 155 133 ILE 156 134 ASP 157 135 SER 158 136 VAL 159 137 THR 160 138 TRP 161 139 HIS 162 140 HIS 163 141 TYR 164 142 TYR 165 143 LEU 166 144 ASN 167 145 GLY 168 146 ARG 169 147 THR 170 148 ALA 171 149 THR 172 150 ARG 173 151 GLU 174 152 ASP 175 153 PHE 176 154 LEU 177 155 ASN 178 156 PRO 179 157 ASP 180 158 VAL 181 159 LEU 182 160 ASP 183 161 ILE 184 162 PHE 185 163 ILE 186 164 SER 187 165 SER 188 166 VAL 189 167 GLN 190 168 LYS 191 169 VAL 192 170 PHE 193 171 GLN 194 172 VAL 195 173 VAL 196 174 GLU 197 175 SER 198 176 THR 199 177 ARG 200 178 PRO 201 179 GLY 202 180 LYS 203 181 LYS 204 182 VAL 205 183 TRP 206 184 LEU 207 185 GLY 208 186 GLU 209 187 THR 210 188 SER 211 189 SER 212 190 ALA 213 191 TYR 214 192 GLY 215 193 GLY 216 194 GLY 217 195 ALA 218 196 PRO 219 197 LEU 220 198 LEU 221 199 SER 222 200 ASP 223 201 THR 224 202 PHE 225 203 ALA 226 204 ALA 227 205 GLY 228 206 PHE 229 207 MET 230 208 TRP 231 209 LEU 232 210 ASP 233 211 LYS 234 212 LEU 235 213 GLY 236 214 LEU 237 215 SER 238 216 ALA 239 217 ARG 240 218 MET 241 219 GLY 242 220 ILE 243 221 GLU 244 222 VAL 245 223 VAL 246 224 MET 247 225 ARG 248 226 GLN 249 227 VAL 250 228 PHE 251 229 PHE 252 230 GLY 253 231 ALA 254 232 GLY 255 233 ASN 256 234 TYR 257 235 HIS 258 236 LEU 259 237 VAL 260 238 ASP 261 239 GLU 262 240 ASN 263 241 PHE 264 242 ASP 265 243 PRO 266 244 LEU 267 245 PRO 268 246 ASP 269 247 TYR 270 248 TRP 271 249 LEU 272 250 SER 273 251 LEU 274 252 LEU 275 253 PHE 276 254 LYS 277 255 LYS 278 256 LEU 279 257 VAL 280 258 GLY 281 259 THR 282 260 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-24 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 GB AAD41342 "heparanase [Homo sapiens]" 96.10 543 97.05 97.79 0.00e+00 GB AAD45379 "heparanase [Homo sapiens]" 96.10 543 97.05 97.79 0.00e+00 GB AAD45669 "heparanase [Homo sapiens]" 96.10 543 97.05 97.79 0.00e+00 GB AAD54516 "heparanase [Homo sapiens]" 96.10 545 97.05 97.79 0.00e+00 GB AAD54941 "heparanase precursor [Homo sapiens]" 96.10 543 97.05 97.79 0.00e+00 REF XP_007997297 "PREDICTED: heparanase isoform X2 [Chlorocebus sabaeus]" 88.65 550 98.00 99.20 7.10e-175 REF XP_011765811 "PREDICTED: heparanase isoform X2 [Macaca nemestrina]" 92.91 502 97.33 98.85 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 $HEP158-417 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HEP158-417 'recombinant technology' . Escherichia coli 'BL21-CodonPlus (DE3)-RIL' p11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HEP158-417 900 uM '[U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' N-Lauroyl-sarcosine 0.125 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HEP158-417 900 uM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' N-Lauroyl-sarcosine 0.125 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HEP158-417 900 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' N-Lauroyl-sarcosine 0.125 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HEP158-417 900 uM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' N-Lauroyl-sarcosine 0.125 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with cryogenically cooled 5 mm TCI probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'equipped with cryogenically cooled 5 mm TCI probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HNHB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_3D_HCACO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6 . pH pressure 1 . atm temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D HNHB' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCACO' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 23 LYS H H 8.167 0.020 1 2 1 23 LYS HA H 4.262 0.020 1 3 1 23 LYS HB2 H 1.916 0.020 2 4 1 23 LYS HB3 H 1.916 0.020 2 5 1 23 LYS HD2 H 1.821 0.020 2 6 1 23 LYS HD3 H 1.821 0.020 2 7 1 23 LYS HE2 H 3.105 0.020 2 8 1 23 LYS HE3 H 3.105 0.020 2 9 1 23 LYS HG2 H 1.530 0.020 2 10 1 23 LYS HG3 H 1.530 0.020 2 11 1 23 LYS CA C 57.418 0.300 1 12 1 23 LYS CB C 32.409 0.300 1 13 1 23 LYS CD C 25.989 0.300 1 14 1 23 LYS CE C 39.006 0.300 1 15 1 23 LYS CG C 21.877 0.300 1 16 1 23 LYS N N 120.170 0.300 1 17 2 24 LYS H H 8.087 0.020 1 18 2 24 LYS HA H 4.335 0.020 1 19 2 24 LYS HB2 H 1.800 0.020 2 20 2 24 LYS HB3 H 1.817 0.020 2 21 2 24 LYS HD2 H 1.728 0.020 2 22 2 24 LYS HD3 H 1.728 0.020 2 23 2 24 LYS HE2 H 3.040 0.020 2 24 2 24 LYS HE3 H 3.040 0.020 2 25 2 24 LYS HG2 H 1.440 0.020 2 26 2 24 LYS HG3 H 1.426 0.020 2 27 2 24 LYS C C 175.673 0.300 1 28 2 24 LYS CA C 57.713 0.300 1 29 2 24 LYS CB C 32.580 0.300 1 30 2 24 LYS CD C 26.063 0.300 1 31 2 24 LYS CE C 38.956 0.300 1 32 2 24 LYS CG C 21.833 0.300 1 33 2 24 LYS N N 119.136 0.300 1 34 3 25 PHE H H 8.128 0.020 1 35 3 25 PHE HA H 4.671 0.020 1 36 3 25 PHE HB2 H 3.389 0.020 2 37 3 25 PHE HB3 H 3.237 0.020 2 38 3 25 PHE HD1 H 7.354 0.020 3 39 3 25 PHE HD2 H 7.354 0.020 3 40 3 25 PHE CA C 58.023 0.300 1 41 3 25 PHE CB C 38.885 0.300 1 42 3 25 PHE N N 118.867 0.300 1 43 4 26 LYS H H 8.218 0.020 1 44 4 26 LYS HA H 4.329 0.020 1 45 4 26 LYS HB2 H 1.999 0.020 2 46 4 26 LYS HB3 H 1.963 0.020 2 47 4 26 LYS HD2 H 1.827 0.020 2 48 4 26 LYS HD3 H 1.816 0.020 2 49 4 26 LYS HE2 H 3.108 0.020 2 50 4 26 LYS HE3 H 3.108 0.020 2 51 4 26 LYS HG2 H 1.562 0.020 2 52 4 26 LYS HG3 H 1.562 0.020 2 53 4 26 LYS CA C 57.116 0.300 1 54 4 26 LYS CB C 32.338 0.300 1 55 4 26 LYS CD C 26.046 0.300 1 56 4 26 LYS CE C 39.024 0.300 1 57 4 26 LYS CG C 22.121 0.300 1 58 4 26 LYS N N 120.224 0.300 1 59 6 28 SER H H 8.138 0.020 1 60 6 28 SER HA H 4.525 0.020 1 61 6 28 SER HB2 H 4.037 0.020 2 62 6 28 SER HB3 H 3.971 0.020 2 63 6 28 SER CA C 59.583 0.300 1 64 6 28 SER CB C 63.663 0.300 1 65 6 28 SER N N 114.635 0.300 1 66 7 29 THR H H 8.105 0.020 1 67 7 29 THR HA H 4.341 0.020 1 68 7 29 THR HB H 4.245 0.020 1 69 7 29 THR HG1 H 4.371 0.020 1 70 7 29 THR HG2 H 1.224 0.020 1 71 7 29 THR C C 172.239 0.300 1 72 7 29 THR CA C 62.860 0.300 1 73 7 29 THR CB C 69.259 0.300 1 74 7 29 THR CG2 C 18.650 0.300 1 75 7 29 THR N N 115.193 0.300 1 76 8 30 TYR H H 8.106 0.020 1 77 8 30 TYR HA H 4.719 0.020 1 78 8 30 TYR HB2 H 3.183 0.020 2 79 8 30 TYR HB3 H 3.034 0.020 2 80 8 30 TYR HD2 H 7.174 0.020 3 81 8 30 TYR C C 173.151 0.300 1 82 8 30 TYR CA C 57.977 0.300 1 83 8 30 TYR CB C 39.129 0.300 1 84 8 30 TYR N N 121.365 0.300 1 85 9 31 SER H H 8.234 0.020 1 86 9 31 SER HA H 4.515 0.020 1 87 9 31 SER HB2 H 4.059 0.020 2 88 9 31 SER HB3 H 3.950 0.020 2 89 9 31 SER C C 173.145 0.300 1 90 9 31 SER CA C 58.436 0.300 1 91 9 31 SER CB C 64.179 0.300 1 92 9 31 SER N N 116.428 0.300 1 93 10 32 ARG H H 8.373 0.020 1 94 10 32 ARG HA H 4.421 0.020 1 95 10 32 ARG HB2 H 2.049 0.020 2 96 10 32 ARG HB3 H 1.942 0.020 2 97 10 32 ARG HD2 H 3.339 0.020 2 98 10 32 ARG HD3 H 3.339 0.020 2 99 10 32 ARG HG2 H 1.812 0.020 2 100 10 32 ARG HG3 H 1.799 0.020 2 101 10 32 ARG CA C 56.043 0.300 1 102 10 32 ARG CB C 30.263 0.300 1 103 10 32 ARG CD C 40.366 0.300 1 104 10 32 ARG CG C 24.241 0.300 1 105 10 32 ARG N N 122.452 0.300 1 106 11 33 SER H H 8.428 0.020 1 107 11 33 SER HA H 4.603 0.020 1 108 11 33 SER HB2 H 4.088 0.020 2 109 11 33 SER HB3 H 4.019 0.020 2 110 11 33 SER C C 172.751 0.300 1 111 11 33 SER CA C 59.198 0.300 1 112 11 33 SER CB C 63.751 0.300 1 113 11 33 SER N N 115.365 0.300 1 114 12 34 SER H H 8.376 0.020 1 115 12 34 SER HA H 4.486 0.020 1 116 12 34 SER HB2 H 4.082 0.020 2 117 12 34 SER HB3 H 4.031 0.020 2 118 12 34 SER CA C 60.084 0.300 1 119 12 34 SER CB C 63.159 0.300 1 120 12 34 SER N N 117.383 0.300 1 121 13 35 VAL H H 7.947 0.020 1 122 13 35 VAL HA H 4.014 0.020 1 123 13 35 VAL HB H 2.305 0.020 1 124 13 35 VAL HG1 H 1.121 0.020 2 125 13 35 VAL HG2 H 1.072 0.020 2 126 13 35 VAL C C 173.614 0.300 1 127 13 35 VAL CA C 64.066 0.300 1 128 13 35 VAL CB C 31.734 0.300 1 129 13 35 VAL CG1 C 18.610 0.300 2 130 13 35 VAL CG2 C 18.840 0.300 2 131 13 35 VAL N N 119.299 0.300 1 132 14 36 ASP H H 8.105 0.020 1 133 14 36 ASP HA H 4.675 0.020 1 134 14 36 ASP HB2 H 2.914 0.020 2 135 14 36 ASP HB3 H 2.875 0.020 2 136 14 36 ASP CA C 56.272 0.300 1 137 14 36 ASP CB C 40.497 0.300 1 138 14 36 ASP N N 120.682 0.300 1 139 15 37 VAL H H 7.986 0.020 1 140 15 37 VAL HA H 4.060 0.020 1 141 15 37 VAL HB H 2.323 0.020 1 142 15 37 VAL HG1 H 1.159 0.020 2 143 15 37 VAL HG2 H 1.062 0.020 2 144 15 37 VAL CA C 64.436 0.300 1 145 15 37 VAL CB C 32.036 0.300 1 146 15 37 VAL CG1 C 19.246 0.300 2 147 15 37 VAL CG2 C 18.610 0.300 2 148 15 37 VAL N N 119.342 0.300 1 149 16 38 LEU H H 8.037 0.020 1 150 16 38 LEU HA H 4.331 0.020 1 151 16 38 LEU HB2 H 1.908 0.020 2 152 16 38 LEU HB3 H 1.859 0.020 2 153 16 38 LEU HD1 H 1.037 0.020 2 154 16 38 LEU HD2 H 0.956 0.020 2 155 16 38 LEU HG H 1.859 0.020 1 156 16 38 LEU CA C 57.720 0.300 1 157 16 38 LEU CB C 41.761 0.300 1 158 16 38 LEU CD1 C 22.105 0.300 2 159 16 38 LEU CD2 C 21.584 0.300 2 160 16 38 LEU CG C 24.187 0.300 1 161 16 38 LEU N N 120.588 0.300 1 162 17 39 TYR H H 8.137 0.020 1 163 17 39 TYR HA H 4.499 0.020 1 164 17 39 TYR HB2 H 3.387 0.020 2 165 17 39 TYR HB3 H 3.288 0.020 2 166 17 39 TYR HD1 H 7.350 0.020 3 167 17 39 TYR HD2 H 7.342 0.020 3 168 17 39 TYR CA C 60.074 0.300 1 169 17 39 TYR CB C 38.888 0.300 1 170 17 39 TYR N N 117.472 0.300 1 171 18 40 THR H H 8.056 0.020 1 172 18 40 THR HA H 4.317 0.020 1 173 18 40 THR HB H 4.193 0.020 1 174 18 40 THR HG1 H 4.383 0.020 1 175 18 40 THR HG2 H 1.222 0.020 1 176 18 40 THR CA C 61.416 0.300 1 177 18 40 THR CB C 69.192 0.300 1 178 18 40 THR CG2 C 18.989 0.300 1 179 18 40 THR N N 114.599 0.300 1 180 19 41 PHE H H 8.113 0.020 1 181 19 41 PHE HA H 4.626 0.020 1 182 19 41 PHE HB2 H 3.356 0.020 2 183 19 41 PHE HB3 H 3.243 0.020 2 184 19 41 PHE N N 120.346 0.300 1 185 20 42 ALA H H 8.163 0.020 1 186 20 42 ALA HA H 4.183 0.020 1 187 20 42 ALA HB H 1.543 0.020 1 188 20 42 ALA CA C 54.479 0.300 1 189 20 42 ALA CB C 18.237 0.300 1 190 20 42 ALA N N 120.796 0.300 1 191 21 43 ASN H H 8.140 0.020 1 192 21 43 ASN HA H 4.806 0.020 1 193 21 43 ASN HB2 H 3.001 0.020 2 194 21 43 ASN HB3 H 2.832 0.020 2 195 21 43 ASN N N 114.645 0.300 1 196 22 44 CYS H H 8.012 0.020 1 197 22 44 CYS HA H 4.713 0.020 1 198 22 44 CYS HB2 H 3.156 0.020 2 199 22 44 CYS HB3 H 3.115 0.020 2 200 22 44 CYS N N 117.417 0.300 1 201 23 45 SER H H 8.587 0.020 1 202 23 45 SER HA H 4.608 0.020 1 203 23 45 SER HB2 H 4.078 0.020 2 204 23 45 SER HB3 H 3.995 0.020 2 205 23 45 SER CA C 58.123 0.300 1 206 23 45 SER CB C 63.764 0.300 1 207 23 45 SER N N 116.949 0.300 1 208 24 46 GLY H H 8.658 0.020 1 209 24 46 GLY HA2 H 4.008 0.020 2 210 24 46 GLY HA3 H 3.908 0.020 2 211 24 46 GLY CA C 45.267 0.300 1 212 24 46 GLY N N 109.771 0.300 1 213 25 47 LEU H H 8.131 0.020 1 214 25 47 LEU HA H 4.225 0.020 1 215 25 47 LEU HB2 H 1.721 0.020 2 216 25 47 LEU HB3 H 1.696 0.020 2 217 25 47 LEU HD1 H 1.055 0.020 2 218 25 47 LEU HD2 H 1.036 0.020 2 219 25 47 LEU HG H 1.709 0.020 1 220 25 47 LEU CA C 57.564 0.300 1 221 25 47 LEU CB C 41.774 0.300 1 222 25 47 LEU CD1 C 22.324 0.300 2 223 25 47 LEU CD2 C 20.796 0.300 2 224 25 47 LEU CG C 24.363 0.300 1 225 25 47 LEU N N 120.382 0.300 1 226 26 48 ASP H H 8.102 0.020 1 227 26 48 ASP HA H 4.585 0.020 1 228 26 48 ASP HB2 H 2.919 0.020 2 229 26 48 ASP HB3 H 2.851 0.020 2 230 26 48 ASP CA C 55.869 0.300 1 231 26 48 ASP CB C 40.294 0.300 1 232 26 48 ASP N N 118.673 0.300 1 233 27 49 LEU H H 8.036 0.020 1 234 27 49 LEU HA H 4.263 0.020 1 235 27 49 LEU HB2 H 1.772 0.020 2 236 27 49 LEU HB3 H 1.694 0.020 2 237 27 49 LEU HD1 H 1.000 0.020 2 238 27 49 LEU HD2 H 1.000 0.020 2 239 27 49 LEU HG H 1.694 0.020 1 240 27 49 LEU CA C 57.922 0.300 1 241 27 49 LEU CB C 41.381 0.300 1 242 27 49 LEU CD1 C 22.221 0.300 2 243 27 49 LEU CD2 C 20.912 0.300 2 244 27 49 LEU CG C 24.243 0.300 1 245 27 49 LEU N N 120.600 0.300 1 246 28 50 ILE H H 7.853 0.020 1 247 28 50 ILE HA H 4.066 0.020 1 248 28 50 ILE HB H 2.083 0.020 1 249 28 50 ILE HD1 H 0.934 0.020 1 250 28 50 ILE HG12 H 1.361 0.020 2 251 28 50 ILE HG13 H 1.353 0.020 2 252 28 50 ILE HG2 H 0.917 0.020 1 253 28 50 ILE CA C 62.454 0.300 1 254 28 50 ILE CB C 38.180 0.300 1 255 28 50 ILE CD1 C 10.211 0.300 1 256 28 50 ILE CG1 C 25.585 0.300 1 257 28 50 ILE CG2 C 14.782 0.300 1 258 28 50 ILE N N 117.750 0.300 1 259 29 51 PHE H H 8.329 0.020 1 260 29 51 PHE HA H 4.495 0.020 1 261 29 51 PHE HB2 H 3.390 0.020 2 262 29 51 PHE HB3 H 3.314 0.020 2 263 29 51 PHE HD1 H 7.351 0.020 3 264 29 51 PHE HD2 H 7.351 0.020 3 265 29 51 PHE CA C 60.097 0.300 1 266 29 51 PHE CB C 38.785 0.300 1 267 29 51 PHE N N 119.412 0.300 1 268 30 52 GLY H H 8.464 0.020 1 269 30 52 GLY HA2 H 4.093 0.020 2 270 30 52 GLY HA3 H 3.946 0.020 2 271 30 52 GLY CA C 45.150 0.300 1 272 30 52 GLY N N 108.263 0.300 1 273 31 53 LEU H H 8.431 0.020 1 274 31 53 LEU HA H 4.238 0.020 1 275 31 53 LEU HB2 H 1.936 0.020 2 276 31 53 LEU HB3 H 1.936 0.020 2 277 31 53 LEU HD1 H 0.996 0.020 2 278 31 53 LEU HD2 H 0.996 0.020 2 279 31 53 LEU HG H 1.815 0.020 1 280 31 53 LEU CA C 57.821 0.300 1 281 31 53 LEU CB C 41.567 0.300 1 282 31 53 LEU CD1 C 22.116 0.300 2 283 31 53 LEU CD2 C 20.924 0.300 2 284 31 53 LEU CG C 24.169 0.300 1 285 31 53 LEU N N 122.310 0.300 1 286 32 54 ASN H H 8.369 0.020 1 287 32 54 ASN HA H 4.457 0.020 1 288 32 54 ASN HB2 H 2.953 0.020 2 289 32 54 ASN HB3 H 2.880 0.020 2 290 32 54 ASN N N 116.744 0.300 1 291 33 55 ALA H H 7.980 0.020 1 292 33 55 ALA HA H 4.225 0.020 1 293 33 55 ALA HB H 1.598 0.020 1 294 33 55 ALA CA C 54.434 0.300 1 295 33 55 ALA CB C 18.237 0.300 1 296 33 55 ALA N N 120.118 0.300 1 297 34 56 LEU H H 8.228 0.020 1 298 34 56 LEU HA H 4.321 0.020 1 299 34 56 LEU HB2 H 1.810 0.020 2 300 34 56 LEU HB3 H 1.703 0.020 2 301 34 56 LEU HD1 H 0.990 0.020 2 302 34 56 LEU HD2 H 0.958 0.020 2 303 34 56 LEU HG H 1.703 0.020 1 304 34 56 LEU CA C 57.620 0.300 1 305 34 56 LEU CB C 41.866 0.300 1 306 34 56 LEU CD1 C 22.114 0.300 2 307 34 56 LEU CD2 C 21.264 0.300 2 308 34 56 LEU CG C 24.184 0.300 1 309 34 56 LEU N N 117.635 0.300 1 310 35 57 LEU H H 8.121 0.020 1 311 35 57 LEU HA H 4.187 0.020 1 312 35 57 LEU HB2 H 1.615 0.020 2 313 35 57 LEU HB3 H 1.615 0.020 2 314 35 57 LEU HD1 H 1.009 0.020 2 315 35 57 LEU HD2 H 1.009 0.020 2 316 35 57 LEU N N 120.124 0.300 1 317 36 58 ARG H H 7.997 0.020 1 318 36 58 ARG HA H 4.398 0.020 1 319 36 58 ARG HB2 H 2.056 0.020 2 320 36 58 ARG HB3 H 2.015 0.020 2 321 36 58 ARG N N 116.467 0.300 1 322 37 59 THR H H 7.881 0.020 1 323 37 59 THR HA H 4.406 0.020 1 324 37 59 THR HB H 4.246 0.020 1 325 37 59 THR HG1 H 4.689 0.020 1 326 37 59 THR HG2 H 1.394 0.020 1 327 37 59 THR CA C 62.329 0.300 1 328 37 59 THR CB C 68.433 0.300 1 329 37 59 THR CG2 C 18.571 0.300 1 330 37 59 THR N N 111.995 0.300 1 331 38 60 ALA H H 7.959 0.020 1 332 38 60 ALA HA H 4.383 0.020 1 333 38 60 ALA HB H 1.553 0.020 1 334 38 60 ALA C C 176.621 0.300 1 335 38 60 ALA CA C 52.632 0.300 1 336 38 60 ALA CB C 19.099 0.300 1 337 38 60 ALA N N 124.214 0.300 1 338 39 61 ASP H H 8.267 0.020 1 339 39 61 ASP HA H 4.792 0.020 1 340 39 61 ASP HB2 H 2.999 0.020 2 341 39 61 ASP HB3 H 2.894 0.020 2 342 39 61 ASP CA C 53.935 0.300 1 343 39 61 ASP CB C 38.757 0.300 1 344 39 61 ASP N N 118.001 0.300 1 345 40 62 LEU H H 7.958 0.020 1 346 40 62 LEU HA H 4.406 0.020 1 347 40 62 LEU HB2 H 1.726 0.020 2 348 40 62 LEU HB3 H 1.534 0.020 2 349 40 62 LEU HD1 H 0.980 0.020 2 350 40 62 LEU HD2 H 0.979 0.020 2 351 40 62 LEU HG H 1.509 0.020 1 352 40 62 LEU C C 173.824 0.300 1 353 40 62 LEU CA C 54.991 0.300 1 354 40 62 LEU CB C 42.427 0.300 1 355 40 62 LEU CD1 C 21.841 0.300 2 356 40 62 LEU CD2 C 21.399 0.300 2 357 40 62 LEU CG C 24.094 0.300 1 358 40 62 LEU N N 120.897 0.300 1 359 41 63 GLN H H 8.179 0.020 1 360 41 63 GLN HA H 4.575 0.020 1 361 41 63 GLN HB2 H 2.112 0.020 2 362 41 63 GLN HB3 H 2.027 0.020 2 363 41 63 GLN HG2 H 2.416 0.020 2 364 41 63 GLN HG3 H 2.239 0.020 2 365 41 63 GLN CB C 27.101 0.300 1 366 41 63 GLN N N 119.582 0.300 1 367 42 64 TRP H H 8.505 0.020 1 368 42 64 TRP HA H 4.730 0.020 1 369 42 64 TRP HB2 H 3.364 0.020 2 370 42 64 TRP HB3 H 3.245 0.020 2 371 42 64 TRP HD1 H 7.294 0.020 1 372 42 64 TRP HE1 H 10.317 0.020 1 373 42 64 TRP HZ2 H 7.446 0.020 1 374 42 64 TRP N N 122.619 0.300 1 375 42 64 TRP NE1 N 129.462 0.300 1 376 43 65 ASN H H 7.851 0.020 1 377 43 65 ASN HA H 4.815 0.020 1 378 43 65 ASN HB2 H 2.974 0.020 2 379 43 65 ASN HB3 H 2.957 0.020 2 380 43 65 ASN HD21 H 7.605 0.020 2 381 43 65 ASN HD22 H 6.922 0.020 2 382 43 65 ASN N N 120.113 0.300 1 383 43 65 ASN ND2 N 112.655 0.300 1 384 44 66 SER H H 8.581 0.020 1 385 44 66 SER HA H 4.316 0.020 1 386 44 66 SER HB2 H 4.138 0.020 2 387 44 66 SER HB3 H 4.061 0.020 2 388 44 66 SER CB C 66.207 0.300 1 389 44 66 SER N N 116.562 0.300 1 390 45 67 SER H H 8.401 0.020 1 391 45 67 SER HA H 4.479 0.020 1 392 45 67 SER HB2 H 4.097 0.020 2 393 45 67 SER HB3 H 4.030 0.020 2 394 45 67 SER CA C 59.977 0.300 1 395 45 67 SER CB C 63.481 0.300 1 396 45 67 SER N N 118.000 0.300 1 397 46 68 ASN H H 8.349 0.020 1 398 46 68 ASN HA H 4.766 0.020 1 399 46 68 ASN HB2 H 2.753 0.020 2 400 46 68 ASN HB3 H 2.746 0.020 2 401 46 68 ASN C C 175.811 0.300 1 402 46 68 ASN CA C 54.195 0.300 1 403 46 68 ASN CB C 40.760 0.300 1 404 46 68 ASN N N 120.321 0.300 1 405 47 69 ALA H H 8.075 0.020 1 406 47 69 ALA HA H 4.225 0.020 1 407 47 69 ALA HB H 1.555 0.020 1 408 47 69 ALA CA C 53.494 0.300 1 409 47 69 ALA CB C 18.933 0.300 1 410 47 69 ALA N N 121.636 0.300 1 411 48 70 GLN H H 8.011 0.020 1 412 48 70 GLN HA H 4.040 0.020 1 413 48 70 GLN HB2 H 2.361 0.020 2 414 48 70 GLN HB3 H 2.279 0.020 2 415 48 70 GLN HG2 H 2.622 0.020 2 416 48 70 GLN HG3 H 2.621 0.020 2 417 48 70 GLN CA C 58.530 0.300 1 418 48 70 GLN CB C 28.082 0.300 1 419 48 70 GLN CG C 31.004 0.300 1 420 48 70 GLN N N 116.442 0.300 1 421 49 71 LEU H H 7.834 0.020 1 422 49 71 LEU HA H 4.346 0.020 1 423 49 71 LEU HB2 H 2.035 0.020 2 424 49 71 LEU HB3 H 2.046 0.020 2 425 49 71 LEU HD1 H 1.103 0.020 2 426 49 71 LEU HD2 H 1.043 0.020 2 427 49 71 LEU HG H 1.932 0.020 1 428 49 71 LEU CA C 57.806 0.300 1 429 49 71 LEU CB C 41.777 0.300 1 430 49 71 LEU CD1 C 22.331 0.300 2 431 49 71 LEU CD2 C 21.285 0.300 2 432 49 71 LEU CG C 24.160 0.300 1 433 49 71 LEU N N 118.926 0.300 1 434 50 72 LEU H H 7.815 0.020 1 435 50 72 LEU HA H 4.317 0.020 1 436 50 72 LEU HB2 H 2.031 0.020 2 437 50 72 LEU HB3 H 1.921 0.020 2 438 50 72 LEU HD1 H 1.045 0.020 2 439 50 72 LEU HD2 H 1.045 0.020 2 440 50 72 LEU HG H 1.781 0.020 1 441 50 72 LEU CA C 57.572 0.300 1 442 50 72 LEU CB C 41.566 0.300 1 443 50 72 LEU CD1 C 22.102 0.300 2 444 50 72 LEU CD2 C 21.765 0.300 2 445 50 72 LEU CG C 24.264 0.300 1 446 50 72 LEU N N 119.056 0.300 1 447 51 73 LEU H H 8.276 0.020 1 448 51 73 LEU HA H 4.224 0.020 1 449 51 73 LEU HB2 H 2.039 0.020 2 450 51 73 LEU HB3 H 1.945 0.020 2 451 51 73 LEU HD1 H 1.038 0.020 2 452 51 73 LEU HD2 H 1.038 0.020 2 453 51 73 LEU HG H 1.849 0.020 1 454 51 73 LEU CA C 57.646 0.300 1 455 51 73 LEU CB C 41.628 0.300 1 456 51 73 LEU CD1 C 22.118 0.300 2 457 51 73 LEU CD2 C 21.234 0.300 2 458 51 73 LEU CG C 24.049 0.300 1 459 51 73 LEU N N 120.802 0.300 1 460 52 74 ASP H H 8.857 0.020 1 461 52 74 ASP HA H 4.585 0.020 1 462 52 74 ASP HB2 H 3.033 0.020 2 463 52 74 ASP HB3 H 2.867 0.020 2 464 52 74 ASP CA C 56.654 0.300 1 465 52 74 ASP CB C 39.726 0.300 1 466 52 74 ASP N N 121.205 0.300 1 467 53 75 TYR H H 8.444 0.020 1 468 53 75 TYR HA H 4.402 0.020 1 469 53 75 TYR HB2 H 3.416 0.020 2 470 53 75 TYR HB3 H 3.374 0.020 2 471 53 75 TYR CA C 61.470 0.300 1 472 53 75 TYR CB C 38.819 0.300 1 473 53 75 TYR N N 122.697 0.300 1 474 54 76 CYS H H 8.631 0.020 1 475 54 76 CYS HA H 4.071 0.020 1 476 54 76 CYS HB2 H 3.404 0.020 2 477 54 76 CYS HB3 H 3.404 0.020 2 478 54 76 CYS HG H 3.128 0.020 1 479 54 76 CYS CA C 58.470 0.300 1 480 54 76 CYS CB C 32.338 0.300 1 481 54 76 CYS N N 117.532 0.300 1 482 55 77 SER H H 8.637 0.020 1 483 55 77 SER HA H 4.416 0.020 1 484 55 77 SER HB2 H 4.210 0.020 2 485 55 77 SER HB3 H 4.155 0.020 2 486 55 77 SER CA C 61.544 0.300 1 487 55 77 SER N N 115.341 0.300 1 488 56 78 SER H H 8.267 0.020 1 489 56 78 SER HA H 4.405 0.020 1 490 56 78 SER HB2 H 4.111 0.020 2 491 56 78 SER HB3 H 4.111 0.020 2 492 56 78 SER N N 118.775 0.300 1 493 57 79 LYS H H 7.407 0.020 1 494 57 79 LYS HA H 4.335 0.020 1 495 57 79 LYS HB2 H 1.570 0.020 2 496 57 79 LYS HB3 H 1.520 0.020 2 497 57 79 LYS HG2 H 1.195 0.020 2 498 57 79 LYS HG3 H 1.143 0.020 2 499 57 79 LYS N N 119.364 0.300 1 500 58 80 GLY H H 7.797 0.020 1 501 58 80 GLY HA2 H 4.096 0.020 2 502 58 80 GLY HA3 H 3.840 0.020 2 503 58 80 GLY CA C 45.445 0.300 1 504 58 80 GLY N N 106.098 0.300 1 505 59 81 TYR H H 7.852 0.020 1 506 59 81 TYR HA H 4.760 0.020 1 507 59 81 TYR HB2 H 2.999 0.020 2 508 59 81 TYR HB3 H 2.856 0.020 2 509 59 81 TYR HD1 H 7.075 0.020 3 510 59 81 TYR HD2 H 7.075 0.020 3 511 59 81 TYR HE1 H 6.870 0.020 3 512 59 81 TYR HE2 H 6.870 0.020 3 513 59 81 TYR CA C 53.669 0.300 1 514 59 81 TYR CB C 38.807 0.300 1 515 59 81 TYR N N 119.709 0.300 1 516 60 82 ASN H H 8.579 0.020 1 517 60 82 ASN HA H 4.866 0.020 1 518 60 82 ASN HB2 H 2.856 0.020 2 519 60 82 ASN HB3 H 2.786 0.020 2 520 60 82 ASN CA C 53.188 0.300 1 521 60 82 ASN CB C 38.885 0.300 1 522 60 82 ASN N N 121.264 0.300 1 523 61 83 ILE H H 8.189 0.020 1 524 61 83 ILE HA H 4.247 0.020 1 525 61 83 ILE HB H 1.887 0.020 1 526 61 83 ILE HD1 H 0.796 0.020 1 527 61 83 ILE HG12 H 1.200 0.020 2 528 61 83 ILE HG13 H 1.200 0.020 2 529 61 83 ILE N N 121.684 0.300 1 530 62 84 SER H H 8.267 0.020 1 531 62 84 SER HA H 4.606 0.020 1 532 62 84 SER HB2 H 4.032 0.020 2 533 62 84 SER HB3 H 4.004 0.020 2 534 62 84 SER CA C 58.345 0.300 1 535 62 84 SER CB C 63.693 0.300 1 536 62 84 SER N N 119.175 0.300 1 537 63 85 TRP H H 8.029 0.020 1 538 63 85 TRP HA H 4.883 0.020 1 539 63 85 TRP HB2 H 3.393 0.020 2 540 63 85 TRP HB3 H 3.254 0.020 2 541 63 85 TRP HD1 H 7.293 0.020 1 542 63 85 TRP HE1 H 10.261 0.020 1 543 63 85 TRP HE3 H 7.607 0.020 1 544 63 85 TRP HZ2 H 7.484 0.020 1 545 63 85 TRP CA C 55.367 0.300 1 546 63 85 TRP CB C 29.074 0.300 1 547 63 85 TRP N N 122.782 0.300 1 548 63 85 TRP NE1 N 129.243 0.300 1 549 64 86 GLU H H 8.300 0.020 1 550 64 86 GLU HA H 4.498 0.020 1 551 64 86 GLU HB2 H 2.030 0.020 2 552 64 86 GLU HB3 H 2.017 0.020 2 553 64 86 GLU HG2 H 2.333 0.020 2 554 64 86 GLU HG3 H 2.141 0.020 2 555 64 86 GLU CA C 56.050 0.300 1 556 64 86 GLU CB C 30.348 0.300 1 557 64 86 GLU CG C 32.665 0.300 1 558 64 86 GLU N N 121.331 0.300 1 559 65 87 LEU H H 8.212 0.020 1 560 65 87 LEU HA H 4.390 0.020 1 561 65 87 LEU HB2 H 1.768 0.020 2 562 65 87 LEU HB3 H 1.737 0.020 2 563 65 87 LEU HD1 H 1.044 0.020 2 564 65 87 LEU HD2 H 1.017 0.020 2 565 65 87 LEU HG H 1.707 0.020 1 566 65 87 LEU C C 173.173 0.300 1 567 65 87 LEU CA C 55.257 0.300 1 568 65 87 LEU CB C 42.177 0.300 1 569 65 87 LEU CD1 C 22.217 0.300 2 570 65 87 LEU CD2 C 20.884 0.300 2 571 65 87 LEU CG C 24.161 0.300 1 572 65 87 LEU N N 122.732 0.300 1 573 66 88 GLY H H 8.509 0.020 1 574 66 88 GLY HA2 H 4.095 0.020 2 575 66 88 GLY HA3 H 4.086 0.020 2 576 66 88 GLY CA C 45.205 0.300 1 577 66 88 GLY N N 108.517 0.300 1 578 67 89 ASN H H 8.275 0.020 1 579 67 89 ASN HA H 4.695 0.020 1 580 67 89 ASN HB2 H 2.920 0.020 2 581 67 89 ASN HB3 H 2.823 0.020 2 582 67 89 ASN C C 176.109 0.300 1 583 67 89 ASN CA C 59.117 0.300 1 584 67 89 ASN CB C 39.922 0.300 1 585 67 89 ASN N N 117.893 0.300 1 586 68 90 GLU H H 8.358 0.020 1 587 68 90 GLU HA H 4.725 0.020 1 588 68 90 GLU HB2 H 2.228 0.020 2 589 68 90 GLU HB3 H 2.091 0.020 2 590 68 90 GLU HG2 H 2.452 0.020 2 591 68 90 GLU HG3 H 2.452 0.020 2 592 68 90 GLU CA C 54.561 0.300 1 593 68 90 GLU CB C 29.253 0.300 1 594 68 90 GLU CG C 33.013 0.300 1 595 68 90 GLU N N 120.688 0.300 1 596 69 91 PRO HA H 4.500 0.020 1 597 69 91 PRO HB2 H 2.345 0.020 2 598 69 91 PRO HB3 H 2.345 0.020 2 599 69 91 PRO HD2 H 3.853 0.020 2 600 69 91 PRO HD3 H 3.810 0.020 2 601 69 91 PRO HG2 H 2.047 0.020 2 602 69 91 PRO HG3 H 2.034 0.020 2 603 70 92 ASN H H 8.553 0.020 1 604 70 92 ASN HA H 4.747 0.020 1 605 70 92 ASN HB2 H 2.975 0.020 2 606 70 92 ASN HB3 H 2.907 0.020 2 607 70 92 ASN CA C 53.868 0.300 1 608 70 92 ASN CB C 38.717 0.300 1 609 70 92 ASN N N 117.113 0.300 1 610 71 93 SER H H 8.269 0.020 1 611 71 93 SER HA H 4.486 0.020 1 612 71 93 SER HB2 H 4.114 0.020 2 613 71 93 SER HB3 H 4.015 0.020 2 614 71 93 SER CA C 61.297 0.300 1 615 71 93 SER CB C 63.161 0.300 1 616 71 93 SER N N 115.617 0.300 1 617 72 94 PHE H H 8.581 0.020 1 618 72 94 PHE HA H 4.486 0.020 1 619 72 94 PHE HB2 H 3.394 0.020 2 620 72 94 PHE HB3 H 3.234 0.020 2 621 72 94 PHE CA C 60.342 0.300 1 622 72 94 PHE CB C 38.946 0.300 1 623 72 94 PHE N N 122.505 0.300 1 624 73 95 LEU H H 8.123 0.020 1 625 73 95 LEU HA H 4.123 0.020 1 626 73 95 LEU HB2 H 1.830 0.020 2 627 73 95 LEU HB3 H 1.758 0.020 2 628 73 95 LEU HD1 H 1.034 0.020 2 629 73 95 LEU HD2 H 0.965 0.020 2 630 73 95 LEU HG H 1.703 0.020 1 631 73 95 LEU CA C 58.680 0.300 1 632 73 95 LEU CB C 41.775 0.300 1 633 73 95 LEU CD1 C 22.135 0.300 2 634 73 95 LEU CD2 C 21.329 0.300 2 635 73 95 LEU CG C 24.405 0.300 1 636 73 95 LEU N N 118.511 0.300 1 637 74 96 LYS H H 7.845 0.020 1 638 74 96 LYS HA H 4.283 0.020 1 639 74 96 LYS HB2 H 2.021 0.020 2 640 74 96 LYS HB3 H 1.985 0.020 2 641 74 96 LYS HD2 H 1.837 0.020 2 642 74 96 LYS HD3 H 1.817 0.020 2 643 74 96 LYS HE2 H 3.112 0.020 2 644 74 96 LYS HE3 H 3.112 0.020 2 645 74 96 LYS HG2 H 1.671 0.020 2 646 74 96 LYS HG3 H 1.650 0.020 2 647 74 96 LYS CA C 57.116 0.300 1 648 74 96 LYS CB C 32.137 0.300 1 649 74 96 LYS CD C 26.120 0.300 1 650 74 96 LYS CE C 39.056 0.300 1 651 74 96 LYS CG C 22.125 0.300 1 652 74 96 LYS N N 118.087 0.300 1 653 75 97 LYS H H 8.116 0.020 1 654 75 97 LYS HA H 4.271 0.020 1 655 75 97 LYS HB2 H 1.664 0.020 2 656 75 97 LYS HB3 H 1.664 0.020 2 657 75 97 LYS CA C 57.720 0.300 1 658 75 97 LYS CB C 32.338 0.300 1 659 75 97 LYS CD C 26.063 0.300 1 660 75 97 LYS CE C 39.056 0.300 1 661 75 97 LYS CG C 21.933 0.300 1 662 75 97 LYS N N 118.690 0.300 1 663 76 98 ALA H H 8.169 0.020 1 664 76 98 ALA HA H 4.265 0.020 1 665 76 98 ALA HB H 1.430 0.020 1 666 76 98 ALA CA C 53.792 0.300 1 667 76 98 ALA CB C 18.338 0.300 1 668 76 98 ALA N N 121.061 0.300 1 669 77 99 ASP H H 8.149 0.020 1 670 77 99 ASP HA H 4.604 0.020 1 671 77 99 ASP HB2 H 2.910 0.020 2 672 77 99 ASP HB3 H 2.910 0.020 2 673 77 99 ASP CA C 55.850 0.300 1 674 77 99 ASP CB C 40.295 0.300 1 675 77 99 ASP N N 117.411 0.300 1 676 78 100 ILE H H 7.818 0.020 1 677 78 100 ILE HA H 4.042 0.020 1 678 78 100 ILE HB H 1.972 0.020 1 679 78 100 ILE HD1 H 0.907 0.020 1 680 78 100 ILE HG12 H 1.645 0.020 2 681 78 100 ILE HG2 H 1.281 0.020 1 682 78 100 ILE CA C 62.720 0.300 1 683 78 100 ILE CB C 37.878 0.300 1 684 78 100 ILE CD1 C 10.552 0.300 1 685 78 100 ILE CG1 C 25.257 0.300 1 686 78 100 ILE CG2 C 14.379 0.300 1 687 78 100 ILE N N 117.962 0.300 1 688 80 102 ILE H H 7.946 0.020 1 689 80 102 ILE HA H 4.002 0.020 1 690 80 102 ILE HB H 2.054 0.020 1 691 80 102 ILE HD1 H 0.928 0.020 1 692 80 102 ILE HG12 H 1.692 0.020 2 693 80 102 ILE HG13 H 1.674 0.020 2 694 80 102 ILE HG2 H 0.949 0.020 1 695 80 102 ILE CA C 65.677 0.300 1 696 80 102 ILE CB C 42.713 0.300 1 697 80 102 ILE N N 118.667 0.300 1 698 82 104 GLY H H 8.284 0.020 1 699 82 104 GLY HA2 H 4.166 0.020 2 700 82 104 GLY HA3 H 4.059 0.020 2 701 82 104 GLY C C 171.840 0.300 1 702 82 104 GLY CA C 45.432 0.300 1 703 82 104 GLY N N 108.706 0.300 1 704 83 105 SER H H 8.016 0.020 1 705 83 105 SER HA H 4.625 0.020 1 706 83 105 SER HB2 H 4.080 0.020 2 707 83 105 SER HB3 H 3.971 0.020 2 708 83 105 SER C C 172.404 0.300 1 709 83 105 SER CA C 58.325 0.300 1 710 83 105 SER CB C 63.764 0.300 1 711 83 105 SER N N 115.285 0.300 1 712 84 106 GLN H H 8.672 0.020 1 713 84 106 GLN HA H 4.387 0.020 1 714 84 106 GLN HB2 H 2.249 0.020 2 715 84 106 GLN HB3 H 2.189 0.020 2 716 84 106 GLN HG2 H 2.495 0.020 2 717 84 106 GLN HG3 H 2.479 0.020 2 718 84 106 GLN CA C 56.840 0.300 1 719 84 106 GLN CB C 28.718 0.300 1 720 84 106 GLN CG C 30.942 0.300 1 721 84 106 GLN N N 122.376 0.300 1 722 85 107 LEU H H 8.314 0.020 1 723 85 107 LEU HA H 4.281 0.020 1 724 85 107 LEU HB2 H 1.794 0.020 2 725 85 107 LEU HB3 H 1.670 0.020 2 726 85 107 LEU HD1 H 1.010 0.020 2 727 85 107 LEU HD2 H 0.971 0.020 2 728 85 107 LEU HG H 1.670 0.020 1 729 85 107 LEU CA C 55.841 0.300 1 730 85 107 LEU CB C 42.046 0.300 1 731 85 107 LEU CD1 C 22.206 0.300 2 732 85 107 LEU CD2 C 20.675 0.300 2 733 85 107 LEU CG C 24.055 0.300 1 734 85 107 LEU N N 120.649 0.300 1 735 86 108 GLY H H 8.349 0.020 1 736 86 108 GLY HA2 H 4.098 0.020 2 737 86 108 GLY HA3 H 3.949 0.020 2 738 86 108 GLY C C 172.537 0.300 1 739 86 108 GLY CA C 45.323 0.300 1 740 86 108 GLY N N 106.562 0.300 1 741 87 109 GLU H H 8.113 0.020 1 742 87 109 GLU HA H 4.312 0.020 1 743 87 109 GLU HB2 H 2.226 0.020 2 744 87 109 GLU HB3 H 2.226 0.020 2 745 87 109 GLU HG2 H 2.490 0.020 2 746 87 109 GLU HG3 H 2.490 0.020 2 747 87 109 GLU CA C 56.612 0.300 1 748 87 109 GLU CB C 32.385 0.300 1 749 87 109 GLU CG C 33.114 0.300 1 750 87 109 GLU N N 120.470 0.300 1 751 88 110 ASP H H 8.472 0.020 1 752 88 110 ASP HA H 4.582 0.020 1 753 88 110 ASP HB2 H 3.074 0.020 2 754 88 110 ASP HB3 H 2.702 0.020 2 755 88 110 ASP CA C 55.774 0.300 1 756 88 110 ASP CB C 38.601 0.300 1 757 88 110 ASP N N 119.013 0.300 1 758 89 111 PHE H H 8.399 0.020 1 759 89 111 PHE HA H 4.486 0.020 1 760 89 111 PHE HB2 H 3.347 0.020 2 761 89 111 PHE HB3 H 3.321 0.020 2 762 89 111 PHE CA C 60.026 0.300 1 763 89 111 PHE CB C 38.930 0.300 1 764 89 111 PHE N N 119.330 0.300 1 765 90 112 ILE H H 8.165 0.020 1 766 90 112 ILE HA H 3.920 0.020 1 767 90 112 ILE HB H 2.161 0.020 1 768 90 112 ILE HD1 H 1.048 0.020 1 769 90 112 ILE HG12 H 1.356 0.020 2 770 90 112 ILE HG13 H 1.356 0.020 2 771 90 112 ILE HG2 H 1.086 0.020 1 772 90 112 ILE CA C 63.868 0.300 1 773 90 112 ILE CB C 37.746 0.300 1 774 90 112 ILE CD1 C 10.250 0.300 1 775 90 112 ILE CG1 C 25.962 0.300 1 776 90 112 ILE CG2 C 14.581 0.300 1 777 90 112 ILE N N 119.783 0.300 1 778 91 113 GLN H H 8.261 0.020 1 779 91 113 GLN HA H 4.319 0.020 1 780 91 113 GLN HB2 H 2.058 0.020 2 781 91 113 GLN HB3 H 2.047 0.020 2 782 91 113 GLN HG2 H 2.322 0.020 2 783 91 113 GLN HG3 H 2.295 0.020 2 784 91 113 GLN CA C 57.603 0.300 1 785 91 113 GLN CB C 32.192 0.300 1 786 91 113 GLN N N 119.154 0.300 1 787 92 114 LEU H H 8.315 0.020 1 788 92 114 LEU HA H 4.233 0.020 1 789 92 114 LEU HB2 H 1.804 0.020 2 790 92 114 LEU HB3 H 1.776 0.020 2 791 92 114 LEU HD1 H 1.024 0.020 2 792 92 114 LEU HD2 H 1.028 0.020 2 793 92 114 LEU HG H 1.767 0.020 1 794 92 114 LEU C C 175.804 0.300 1 795 92 114 LEU CA C 57.699 0.300 1 796 92 114 LEU CB C 41.940 0.300 1 797 92 114 LEU CD1 C 22.055 0.300 2 798 92 114 LEU CD2 C 21.375 0.300 2 799 92 114 LEU CG C 24.153 0.300 1 800 92 114 LEU N N 119.293 0.300 1 801 93 115 HIS H H 8.478 0.020 1 802 93 115 HIS HA H 4.289 0.020 1 803 93 115 HIS HB2 H 3.484 0.020 2 804 93 115 HIS HB3 H 3.240 0.020 2 805 93 115 HIS HD2 H 7.350 0.020 1 806 93 115 HIS HE1 H 7.570 0.020 1 807 93 115 HIS CA C 57.669 0.300 1 808 93 115 HIS CB C 33.668 0.300 1 809 93 115 HIS N N 116.887 0.300 1 810 94 116 LYS H H 7.990 0.020 1 811 94 116 LYS HA H 4.036 0.020 1 812 94 116 LYS HB2 H 2.054 0.020 2 813 94 116 LYS HB3 H 2.003 0.020 2 814 94 116 LYS HD2 H 1.820 0.020 2 815 94 116 LYS HD3 H 1.811 0.020 2 816 94 116 LYS HE2 H 3.113 0.020 2 817 94 116 LYS HE3 H 3.113 0.020 2 818 94 116 LYS HG2 H 1.553 0.020 2 819 94 116 LYS HG3 H 1.527 0.020 2 820 94 116 LYS CA C 57.499 0.300 1 821 94 116 LYS CB C 31.929 0.300 1 822 94 116 LYS CD C 25.964 0.300 1 823 94 116 LYS CE C 38.983 0.300 1 824 94 116 LYS CG C 21.884 0.300 1 825 94 116 LYS N N 117.692 0.300 1 826 95 117 LEU H H 7.952 0.020 1 827 95 117 LEU HA H 4.263 0.020 1 828 95 117 LEU HB2 H 1.982 0.020 2 829 95 117 LEU HB3 H 1.900 0.020 2 830 95 117 LEU HD1 H 1.050 0.020 2 831 95 117 LEU HD2 H 1.042 0.020 2 832 95 117 LEU HG H 1.876 0.020 1 833 95 117 LEU CA C 57.873 0.300 1 834 95 117 LEU CB C 41.803 0.300 1 835 95 117 LEU CD1 C 22.095 0.300 2 836 95 117 LEU CD2 C 21.283 0.300 2 837 95 117 LEU CG C 24.101 0.300 1 838 95 117 LEU N N 119.099 0.300 1 839 97 119 ARG H H 8.036 0.020 1 840 97 119 ARG HA H 4.422 0.020 1 841 97 119 ARG HB2 H 1.927 0.020 2 842 97 119 ARG HD2 H 3.317 0.020 2 843 97 119 ARG HD3 H 3.317 0.020 2 844 97 119 ARG HG2 H 1.706 0.020 2 845 97 119 ARG HG3 H 1.698 0.020 2 846 97 119 ARG CA C 56.175 0.300 1 847 97 119 ARG CB C 30.364 0.300 1 848 97 119 ARG CD C 40.374 0.300 1 849 97 119 ARG CG C 24.460 0.300 1 850 97 119 ARG N N 117.692 0.300 1 851 98 120 LYS H H 7.914 0.020 1 852 98 120 LYS HA H 4.366 0.020 1 853 98 120 LYS HB2 H 1.910 0.020 2 854 98 120 LYS HB3 H 1.910 0.020 2 855 98 120 LYS HD2 H 1.841 0.020 2 856 98 120 LYS HD3 H 1.791 0.020 2 857 98 120 LYS HE2 H 3.127 0.020 2 858 98 120 LYS HE3 H 3.127 0.020 2 859 98 120 LYS HG2 H 1.543 0.020 2 860 98 120 LYS HG3 H 1.543 0.020 2 861 98 120 LYS CA C 57.216 0.300 1 862 98 120 LYS CB C 32.505 0.300 1 863 98 120 LYS CD C 26.094 0.300 1 864 98 120 LYS CE C 39.044 0.300 1 865 98 120 LYS CG C 21.832 0.300 1 866 98 120 LYS N N 117.799 0.300 1 867 99 121 SER H H 8.085 0.020 1 868 99 121 SER HA H 4.547 0.020 1 869 99 121 SER HB2 H 4.050 0.020 2 870 99 121 SER HB3 H 3.982 0.020 2 871 99 121 SER CA C 65.368 0.300 1 872 99 121 SER CB C 66.181 0.300 1 873 99 121 SER N N 119.605 0.300 1 874 100 122 THR H H 8.295 0.020 1 875 100 122 THR HA H 4.355 0.020 1 876 100 122 THR HB H 4.244 0.020 1 877 100 122 THR HG1 H 4.694 0.020 1 878 100 122 THR HG2 H 1.223 0.020 1 879 100 122 THR CA C 62.622 0.300 1 880 100 122 THR CB C 69.258 0.300 1 881 100 122 THR CG2 C 18.610 0.300 1 882 100 122 THR N N 115.418 0.300 1 883 101 123 PHE H H 8.201 0.020 1 884 101 123 PHE HA H 4.634 0.020 1 885 101 123 PHE HB2 H 3.340 0.020 2 886 101 123 PHE HB3 H 3.144 0.020 2 887 101 123 PHE HD1 H 7.384 0.020 3 888 101 123 PHE HD2 H 7.368 0.020 3 889 101 123 PHE CA C 58.407 0.300 1 890 101 123 PHE CB C 38.860 0.300 1 891 101 123 PHE N N 120.470 0.300 1 892 102 124 LYS H H 8.138 0.020 1 893 102 124 LYS HA H 4.368 0.020 1 894 102 124 LYS HB2 H 1.940 0.020 2 895 102 124 LYS HB3 H 1.902 0.020 2 896 102 124 LYS HD2 H 1.822 0.020 2 897 102 124 LYS HD3 H 1.757 0.020 2 898 102 124 LYS HE2 H 3.102 0.020 2 899 102 124 LYS HE3 H 3.092 0.020 2 900 102 124 LYS HG2 H 1.517 0.020 2 901 102 124 LYS HG3 H 1.505 0.020 2 902 102 124 LYS C C 177.282 0.300 1 903 102 124 LYS CA C 57.579 0.300 1 904 102 124 LYS CB C 32.439 0.300 1 905 102 124 LYS CD C 26.055 0.300 1 906 102 124 LYS CE C 39.056 0.300 1 907 102 124 LYS CG C 22.073 0.300 1 908 102 124 LYS N N 120.081 0.300 1 909 103 125 ASN H H 8.344 0.020 1 910 103 125 ASN HA H 4.746 0.020 1 911 103 125 ASN HB2 H 3.023 0.020 2 912 103 125 ASN HB3 H 2.884 0.020 2 913 103 125 ASN HD21 H 7.711 0.020 2 914 103 125 ASN HD22 H 6.984 0.020 2 915 103 125 ASN C C 172.554 0.300 1 916 103 125 ASN CA C 53.783 0.300 1 917 103 125 ASN CB C 38.780 0.300 1 918 103 125 ASN N N 117.806 0.300 1 919 103 125 ASN ND2 N 112.345 0.300 1 920 104 126 ALA H H 8.111 0.020 1 921 104 126 ALA HA H 4.435 0.020 1 922 104 126 ALA HB H 1.551 0.020 1 923 104 126 ALA C C 174.897 0.300 1 924 104 126 ALA CA C 52.684 0.300 1 925 104 126 ALA CB C 18.961 0.300 1 926 104 126 ALA N N 123.405 0.300 1 927 105 127 LYS H H 8.186 0.020 1 928 105 127 LYS HA H 4.358 0.020 1 929 105 127 LYS HB2 H 1.879 0.020 2 930 105 127 LYS HB3 H 1.932 0.020 2 931 105 127 LYS HD2 H 1.822 0.020 2 932 105 127 LYS HD3 H 1.804 0.020 2 933 105 127 LYS HE2 H 3.105 0.020 2 934 105 127 LYS HE3 H 3.105 0.020 2 935 105 127 LYS HG2 H 1.530 0.020 2 936 105 127 LYS HG3 H 1.524 0.020 2 937 105 127 LYS C C 173.897 0.300 1 938 105 127 LYS CA C 56.206 0.300 1 939 105 127 LYS CB C 32.423 0.300 1 940 105 127 LYS CD C 26.045 0.300 1 941 105 127 LYS CE C 39.019 0.300 1 942 105 127 LYS CG C 21.933 0.300 1 943 105 127 LYS N N 118.403 0.300 1 944 106 128 LEU H H 8.091 0.020 1 945 106 128 LEU HA H 4.390 0.020 1 946 106 128 LEU HB2 H 1.633 0.020 2 947 106 128 LEU HB3 H 1.522 0.020 2 948 106 128 LEU HD1 H 0.991 0.020 2 949 106 128 LEU HD2 H 0.916 0.020 2 950 106 128 LEU HG H 1.509 0.020 1 951 106 128 LEU C C 173.890 0.300 1 952 106 128 LEU CA C 55.265 0.300 1 953 106 128 LEU CB C 42.325 0.300 1 954 106 128 LEU CD1 C 22.187 0.300 2 955 106 128 LEU CD2 C 20.805 0.300 2 956 106 128 LEU CG C 24.062 0.300 1 957 106 128 LEU N N 120.703 0.300 1 958 107 129 TYR H H 7.880 0.020 1 959 107 129 TYR HA H 4.764 0.020 1 960 107 129 TYR HB2 H 3.236 0.020 2 961 107 129 TYR HB3 H 3.072 0.020 2 962 107 129 TYR HD1 H 7.236 0.020 3 963 107 129 TYR HD2 H 7.236 0.020 3 964 107 129 TYR C C 173.041 0.300 1 965 107 129 TYR CA C 57.160 0.300 1 966 107 129 TYR CB C 39.091 0.300 1 967 107 129 TYR N N 117.353 0.300 1 968 108 130 GLY H H 8.118 0.020 1 969 108 130 GLY HA2 H 4.230 0.020 2 970 108 130 GLY HA3 H 4.218 0.020 2 971 108 130 GLY C C 169.502 0.300 1 972 108 130 GLY CA C 44.589 0.300 1 973 108 130 GLY N N 109.166 0.300 1 974 109 131 PRO HB2 H 2.395 0.020 2 975 109 131 PRO HB3 H 2.088 0.020 2 976 109 131 PRO HD2 H 3.764 0.020 2 977 109 131 PRO HD3 H 3.687 0.020 2 978 110 132 ASP H H 8.488 0.020 1 979 110 132 ASP HA H 4.766 0.020 1 980 110 132 ASP HB2 H 2.906 0.020 2 981 110 132 ASP HB3 H 2.804 0.020 2 982 110 132 ASP C C 173.860 0.300 1 983 110 132 ASP CA C 54.191 0.300 1 984 110 132 ASP CB C 40.729 0.300 1 985 110 132 ASP N N 119.081 0.300 1 986 111 133 VAL H H 7.935 0.020 1 987 111 133 VAL HA H 4.253 0.020 1 988 111 133 VAL HB H 2.297 0.020 1 989 111 133 VAL HG1 H 1.064 0.020 2 990 111 133 VAL HG2 H 1.064 0.020 2 991 111 133 VAL C C 173.973 0.300 1 992 111 133 VAL CA C 62.168 0.300 1 993 111 133 VAL CB C 32.079 0.300 1 994 111 133 VAL CG1 C 18.408 0.300 2 995 111 133 VAL CG2 C 18.408 0.300 2 996 111 133 VAL N N 118.900 0.300 1 997 112 134 GLY H H 8.481 0.020 1 998 112 134 GLY HA2 H 4.088 0.020 2 999 112 134 GLY HA3 H 4.066 0.020 2 1000 112 134 GLY C C 171.345 0.300 1 1001 112 134 GLY CA C 45.221 0.300 1 1002 112 134 GLY N N 111.000 0.300 1 1003 113 135 GLN H H 8.183 0.020 1 1004 113 135 GLN HA H 4.284 0.020 1 1005 113 135 GLN HB2 H 2.104 0.020 2 1006 113 135 GLN HB3 H 2.085 0.020 2 1007 113 135 GLN HG2 H 2.509 0.020 2 1008 113 135 GLN HG3 H 2.519 0.020 2 1009 113 135 GLN C C 171.627 0.300 1 1010 113 135 GLN CA C 57.519 0.300 1 1011 113 135 GLN CB C 29.083 0.300 1 1012 113 135 GLN CG C 30.596 0.300 1 1013 113 135 GLN N N 120.272 0.300 1 1014 114 136 PRO HA H 4.567 0.020 1 1015 114 136 PRO HB2 H 2.420 0.020 2 1016 114 136 PRO HB3 H 2.036 0.020 2 1017 114 136 PRO HD2 H 3.798 0.020 2 1018 114 136 PRO HD3 H 3.895 0.020 2 1019 114 136 PRO HG2 H 2.160 0.020 2 1020 114 136 PRO HG3 H 2.143 0.020 2 1021 114 136 PRO C C 174.751 0.300 1 1022 114 136 PRO CA C 63.597 0.300 1 1023 114 136 PRO CB C 31.762 0.300 1 1024 114 136 PRO CD C 47.487 0.300 1 1025 114 136 PRO CG C 24.422 0.300 1 1026 115 137 ARG H H 8.609 0.020 1 1027 115 137 ARG HA H 4.404 0.020 1 1028 115 137 ARG HB2 H 2.032 0.020 2 1029 115 137 ARG HB3 H 2.000 0.020 2 1030 115 137 ARG HD2 H 3.328 0.020 2 1031 115 137 ARG HD3 H 3.330 0.020 2 1032 115 137 ARG HG2 H 1.829 0.020 2 1033 115 137 ARG HG3 H 1.782 0.020 2 1034 115 137 ARG C C 174.294 0.300 1 1035 115 137 ARG CA C 56.559 0.300 1 1036 115 137 ARG CB C 30.048 0.300 1 1037 115 137 ARG CD C 40.412 0.300 1 1038 115 137 ARG CG C 24.452 0.300 1 1039 115 137 ARG N N 120.648 0.300 1 1040 116 138 ARG H H 8.406 0.020 1 1041 116 138 ARG HA H 4.399 0.020 1 1042 116 138 ARG HB2 H 2.035 0.020 2 1043 116 138 ARG HB3 H 2.031 0.020 2 1044 116 138 ARG HD2 H 3.317 0.020 2 1045 116 138 ARG HD3 H 3.317 0.020 2 1046 116 138 ARG HG2 H 1.977 0.020 2 1047 116 138 ARG HG3 H 1.969 0.020 2 1048 116 138 ARG C C 174.839 0.300 1 1049 116 138 ARG CA C 56.310 0.300 1 1050 116 138 ARG CB C 30.223 0.300 1 1051 116 138 ARG CD C 40.411 0.300 1 1052 116 138 ARG CG C 27.011 0.300 1 1053 116 138 ARG N N 120.587 0.300 1 1054 117 139 LYS H H 8.787 0.020 1 1055 117 139 LYS HA H 4.371 0.020 1 1056 117 139 LYS HB2 H 2.002 0.020 2 1057 117 139 LYS HB3 H 1.980 0.020 2 1058 117 139 LYS HD2 H 1.838 0.020 2 1059 117 139 LYS HD3 H 1.820 0.020 2 1060 117 139 LYS HE2 H 3.117 0.020 2 1061 117 139 LYS HE3 H 3.106 0.020 2 1062 117 139 LYS HG2 H 1.585 0.020 2 1063 117 139 LYS HG3 H 1.567 0.020 2 1064 117 139 LYS C C 175.432 0.300 1 1065 117 139 LYS CA C 57.519 0.300 1 1066 117 139 LYS CB C 32.137 0.300 1 1067 117 139 LYS CD C 26.063 0.300 1 1068 117 139 LYS CE C 38.992 0.300 1 1069 117 139 LYS CG C 22.034 0.300 1 1070 117 139 LYS N N 121.865 0.300 1 1071 118 140 THR H H 8.390 0.020 1 1072 118 140 THR HA H 4.327 0.020 1 1073 118 140 THR HB H 4.129 0.020 1 1074 118 140 THR HG2 H 1.429 0.020 1 1075 118 140 THR CA C 65.577 0.300 1 1076 118 140 THR CB C 66.346 0.300 1 1077 118 140 THR N N 115.419 0.300 1 1078 119 141 ALA H H 8.408 0.020 1 1079 119 141 ALA HA H 4.179 0.020 1 1080 119 141 ALA HB H 1.594 0.020 1 1081 119 141 ALA C C 176.292 0.300 1 1082 119 141 ALA CA C 54.765 0.300 1 1083 119 141 ALA CB C 18.201 0.300 1 1084 119 141 ALA N N 123.194 0.300 1 1085 120 142 LYS H H 8.034 0.020 1 1086 120 142 LYS HA H 4.154 0.020 1 1087 120 142 LYS HB2 H 2.058 0.020 2 1088 120 142 LYS HB3 H 2.036 0.020 2 1089 120 142 LYS HD2 H 1.841 0.020 2 1090 120 142 LYS HD3 H 1.815 0.020 2 1091 120 142 LYS HE2 H 3.123 0.020 2 1092 120 142 LYS HE3 H 3.105 0.020 2 1093 120 142 LYS HG2 H 1.594 0.020 2 1094 120 142 LYS HG3 H 1.566 0.020 2 1095 120 142 LYS C C 176.718 0.300 1 1096 120 142 LYS CA C 58.687 0.300 1 1097 120 142 LYS CB C 32.114 0.300 1 1098 120 142 LYS CD C 26.319 0.300 1 1099 120 142 LYS CE C 39.067 0.300 1 1100 120 142 LYS CG C 22.139 0.300 1 1101 120 142 LYS N N 117.458 0.300 1 1102 121 143 MET H H 8.140 0.020 1 1103 121 143 MET HA H 4.800 0.020 1 1104 121 143 MET HB2 H 2.018 0.020 2 1105 121 143 MET HB3 H 2.018 0.020 2 1106 121 143 MET N N 114.616 0.300 1 1107 123 145 LYS H H 8.228 0.020 1 1108 123 145 LYS HA H 4.092 0.020 1 1109 123 145 LYS HB2 H 2.125 0.020 2 1110 123 145 LYS HB3 H 2.089 0.020 2 1111 123 145 LYS HG2 H 2.051 0.020 2 1112 123 145 LYS HG3 H 2.051 0.020 2 1113 123 145 LYS CA C 59.117 0.300 1 1114 123 145 LYS CB C 32.012 0.300 1 1115 123 145 LYS N N 117.628 0.300 1 1116 124 146 SER H H 8.053 0.020 1 1117 124 146 SER HA H 4.396 0.020 1 1118 124 146 SER HB2 H 4.123 0.020 2 1119 124 146 SER HB3 H 4.044 0.020 2 1120 124 146 SER C C 176.101 0.300 1 1121 124 146 SER CA C 61.467 0.300 1 1122 124 146 SER CB C 63.073 0.300 1 1123 124 146 SER N N 114.250 0.300 1 1124 125 147 PHE H H 8.213 0.020 1 1125 125 147 PHE HA H 4.534 0.020 1 1126 125 147 PHE HB2 H 3.373 0.020 2 1127 125 147 PHE HB3 H 3.352 0.020 2 1128 125 147 PHE CA C 59.721 0.300 1 1129 125 147 PHE CB C 38.531 0.300 1 1130 125 147 PHE N N 121.520 0.300 1 1131 126 148 LEU H H 8.190 0.020 1 1132 126 148 LEU HA H 4.175 0.020 1 1133 126 148 LEU HB2 H 2.046 0.020 2 1134 126 148 LEU HB3 H 2.012 0.020 2 1135 126 148 LEU HD1 H 1.034 0.020 2 1136 126 148 LEU HD2 H 1.018 0.020 2 1137 126 148 LEU HG H 1.702 0.020 1 1138 126 148 LEU C C 175.764 0.300 1 1139 126 148 LEU CA C 56.885 0.300 1 1140 126 148 LEU CB C 41.775 0.300 1 1141 126 148 LEU CD1 C 20.896 0.300 2 1142 126 148 LEU CD2 C 21.933 0.300 2 1143 126 148 LEU CG C 24.150 0.300 1 1144 126 148 LEU N N 118.049 0.300 1 1145 127 149 LYS H H 8.040 0.020 1 1146 127 149 LYS HA H 4.286 0.020 1 1147 127 149 LYS HB2 H 2.054 0.020 2 1148 127 149 LYS HB3 H 2.013 0.020 2 1149 127 149 LYS HD2 H 1.832 0.020 2 1150 127 149 LYS HD3 H 1.832 0.020 2 1151 127 149 LYS HE2 H 3.116 0.020 2 1152 127 149 LYS HE3 H 3.116 0.020 2 1153 127 149 LYS HG2 H 1.657 0.020 2 1154 127 149 LYS HG3 H 1.569 0.020 2 1155 127 149 LYS C C 175.398 0.300 1 1156 127 149 LYS CA C 57.318 0.300 1 1157 127 149 LYS CB C 32.338 0.300 1 1158 127 149 LYS CD C 25.962 0.300 1 1159 127 149 LYS CE C 38.956 0.300 1 1160 127 149 LYS CG C 21.833 0.300 1 1161 127 149 LYS N N 118.595 0.300 1 1162 128 150 ALA H H 8.056 0.020 1 1163 128 150 ALA HA H 4.384 0.020 1 1164 128 150 ALA HB H 1.559 0.020 1 1165 128 150 ALA C C 176.738 0.300 1 1166 128 150 ALA CA C 53.082 0.300 1 1167 128 150 ALA CB C 18.424 0.300 1 1168 128 150 ALA N N 122.029 0.300 1 1169 129 151 GLY H H 8.478 0.020 1 1170 129 151 GLY HA2 H 4.013 0.020 2 1171 129 151 GLY HA3 H 3.844 0.020 2 1172 129 151 GLY C C 172.333 0.300 1 1173 129 151 GLY CA C 45.944 0.300 1 1174 129 151 GLY N N 106.074 0.300 1 1175 130 152 GLY H H 8.313 0.020 1 1176 130 152 GLY HA2 H 4.030 0.020 2 1177 130 152 GLY HA3 H 3.948 0.020 2 1178 130 152 GLY C C 172.261 0.300 1 1179 130 152 GLY CA C 46.092 0.300 1 1180 130 152 GLY N N 107.865 0.300 1 1181 131 153 GLU H H 8.091 0.020 1 1182 131 153 GLU HA H 4.482 0.020 1 1183 131 153 GLU HB2 H 2.246 0.020 2 1184 131 153 GLU HB3 H 2.220 0.020 2 1185 131 153 GLU HG2 H 2.448 0.020 2 1186 131 153 GLU HG3 H 2.435 0.020 2 1187 131 153 GLU CA C 56.569 0.300 1 1188 131 153 GLU CB C 29.860 0.300 1 1189 131 153 GLU CG C 32.861 0.300 1 1190 131 153 GLU N N 119.431 0.300 1 1191 132 154 VAL H H 7.999 0.020 1 1192 132 154 VAL HA H 4.139 0.020 1 1193 132 154 VAL HB H 2.321 0.020 1 1194 132 154 VAL HG1 H 1.129 0.020 2 1195 132 154 VAL HG2 H 1.055 0.020 2 1196 132 154 VAL CA C 63.504 0.300 1 1197 132 154 VAL CB C 32.128 0.300 1 1198 132 154 VAL CG1 C 18.329 0.300 2 1199 132 154 VAL CG2 C 18.329 0.300 2 1200 132 154 VAL N N 118.256 0.300 1 1201 133 155 ILE H H 7.991 0.020 1 1202 133 155 ILE HA H 4.042 0.020 1 1203 133 155 ILE HB H 2.079 0.020 1 1204 133 155 ILE HD1 H 1.018 0.020 1 1205 133 155 ILE HG12 H 1.361 0.020 2 1206 133 155 ILE HG13 H 1.361 0.020 2 1207 133 155 ILE HG2 H 1.054 0.020 1 1208 133 155 ILE CA C 62.656 0.300 1 1209 133 155 ILE CB C 38.322 0.300 1 1210 133 155 ILE CD1 C 10.250 0.300 1 1211 133 155 ILE CG1 C 25.634 0.300 1 1212 133 155 ILE CG2 C 14.782 0.300 1 1213 133 155 ILE N N 120.008 0.300 1 1214 134 156 ASP H H 8.177 0.020 1 1215 134 156 ASP HA H 4.735 0.020 1 1216 134 156 ASP HB2 H 2.912 0.020 2 1217 134 156 ASP HB3 H 2.914 0.020 2 1218 134 156 ASP CA C 54.699 0.300 1 1219 134 156 ASP CB C 40.223 0.300 1 1220 134 156 ASP N N 121.056 0.300 1 1221 135 157 SER H H 8.122 0.020 1 1222 135 157 SER HA H 4.483 0.020 1 1223 135 157 SER HB2 H 4.103 0.020 2 1224 135 157 SER HB3 H 4.033 0.020 2 1225 135 157 SER C C 172.476 0.300 1 1226 135 157 SER CA C 59.701 0.300 1 1227 135 157 SER CB C 63.462 0.300 1 1228 135 157 SER N N 114.714 0.300 1 1229 136 158 VAL H H 8.017 0.020 1 1230 136 158 VAL HA H 4.167 0.020 1 1231 136 158 VAL HB H 2.159 0.020 1 1232 136 158 VAL HG1 H 1.059 0.020 2 1233 136 158 VAL HG2 H 0.868 0.020 2 1234 136 158 VAL C C 173.998 0.300 1 1235 136 158 VAL CA C 62.761 0.300 1 1236 136 158 VAL CB C 32.137 0.300 1 1237 136 158 VAL CG1 C 18.408 0.300 2 1238 136 158 VAL CG2 C 18.106 0.300 2 1239 136 158 VAL N N 120.676 0.300 1 1240 137 159 THR H H 8.186 0.020 1 1241 137 159 THR HA H 4.306 0.020 1 1242 137 159 THR HB H 4.237 0.020 1 1243 137 159 THR HG2 H 1.224 0.020 1 1244 137 159 THR C C 172.697 0.300 1 1245 137 159 THR CA C 62.656 0.300 1 1246 137 159 THR CB C 69.137 0.300 1 1247 137 159 THR CG2 C 18.710 0.300 1 1248 137 159 THR N N 116.763 0.300 1 1249 138 160 TRP H H 8.097 0.020 1 1250 138 160 TRP HA H 4.670 0.020 1 1251 138 160 TRP HB2 H 3.374 0.020 2 1252 138 160 TRP HB3 H 3.325 0.020 2 1253 138 160 TRP HD1 H 7.287 0.020 1 1254 138 160 TRP HE1 H 10.343 0.020 1 1255 138 160 TRP HE3 H 7.433 0.020 1 1256 138 160 TRP HH2 H 7.107 0.020 1 1257 138 160 TRP C C 174.140 0.300 1 1258 138 160 TRP CA C 57.418 0.300 1 1259 138 160 TRP CB C 29.448 0.300 1 1260 138 160 TRP N N 122.120 0.300 1 1261 138 160 TRP NE1 N 129.354 0.300 1 1262 139 161 HIS H H 8.265 0.020 1 1263 139 161 HIS HA H 4.570 0.020 1 1264 139 161 HIS HB2 H 3.111 0.020 2 1265 139 161 HIS HB3 H 3.113 0.020 2 1266 139 161 HIS CA C 58.574 0.300 1 1267 139 161 HIS N N 117.716 0.300 1 1268 140 162 HIS H H 8.390 0.020 1 1269 140 162 HIS HA H 4.594 0.020 1 1270 140 162 HIS HB2 H 3.350 0.020 2 1271 140 162 HIS HB3 H 3.190 0.020 2 1272 140 162 HIS CA C 59.822 0.300 1 1273 140 162 HIS N N 119.329 0.300 1 1274 141 163 TYR H H 8.172 0.020 1 1275 141 163 TYR HA H 4.549 0.020 1 1276 141 163 TYR HB2 H 3.097 0.020 2 1277 141 163 TYR HB3 H 3.035 0.020 2 1278 141 163 TYR CA C 58.361 0.300 1 1279 141 163 TYR CB C 39.146 0.300 1 1280 141 163 TYR N N 119.483 0.300 1 1281 142 164 TYR H H 8.193 0.020 1 1282 142 164 TYR HA H 4.544 0.020 1 1283 142 164 TYR HB2 H 3.097 0.020 2 1284 142 164 TYR HB3 H 2.981 0.020 2 1285 142 164 TYR CA C 58.523 0.300 1 1286 142 164 TYR CB C 39.109 0.300 1 1287 142 164 TYR N N 119.141 0.300 1 1288 143 165 LEU H H 7.999 0.020 1 1289 143 165 LEU HA H 4.356 0.020 1 1290 143 165 LEU HB2 H 1.988 0.020 2 1291 143 165 LEU HB3 H 1.869 0.020 2 1292 143 165 LEU HD1 H 1.002 0.020 2 1293 143 165 LEU HD2 H 1.002 0.020 2 1294 143 165 LEU HG H 1.648 0.020 1 1295 143 165 LEU CA C 57.570 0.300 1 1296 143 165 LEU CB C 41.605 0.300 1 1297 143 165 LEU CD1 C 22.034 0.300 2 1298 143 165 LEU CD2 C 20.725 0.300 2 1299 143 165 LEU CG C 24.431 0.300 1 1300 143 165 LEU N N 118.943 0.300 1 1301 144 166 ASN H H 8.227 0.020 1 1302 144 166 ASN HA H 4.750 0.020 1 1303 144 166 ASN HB2 H 2.953 0.020 2 1304 144 166 ASN HB3 H 2.829 0.020 2 1305 144 166 ASN HD21 H 7.613 0.020 2 1306 144 166 ASN HD22 H 6.904 0.020 2 1307 144 166 ASN CA C 54.034 0.300 1 1308 144 166 ASN CB C 39.279 0.300 1 1309 144 166 ASN N N 117.610 0.300 1 1310 144 166 ASN ND2 N 112.045 0.300 1 1311 145 167 GLY H H 8.387 0.020 1 1312 145 167 GLY HA2 H 4.053 0.020 2 1313 145 167 GLY HA3 H 3.992 0.020 2 1314 145 167 GLY C C 171.692 0.300 1 1315 145 167 GLY CA C 45.629 0.300 1 1316 145 167 GLY N N 108.310 0.300 1 1317 146 168 ARG H H 8.073 0.020 1 1318 146 168 ARG HA H 4.513 0.020 1 1319 146 168 ARG HB2 H 1.998 0.020 2 1320 146 168 ARG HB3 H 1.927 0.020 2 1321 146 168 ARG HD2 H 3.286 0.020 2 1322 146 168 ARG HD3 H 3.282 0.020 2 1323 146 168 ARG HG2 H 1.707 0.020 2 1324 146 168 ARG HG3 H 1.706 0.020 2 1325 146 168 ARG C C 173.759 0.300 1 1326 146 168 ARG CA C 56.110 0.300 1 1327 146 168 ARG CB C 31.009 0.300 1 1328 146 168 ARG CD C 40.265 0.300 1 1329 146 168 ARG CG C 24.847 0.300 1 1330 146 168 ARG N N 119.652 0.300 1 1331 147 169 THR H H 8.190 0.020 1 1332 147 169 THR HA H 4.497 0.020 1 1333 147 169 THR HB H 4.368 0.020 1 1334 147 169 THR HG1 H 4.624 0.020 1 1335 147 169 THR HG2 H 1.330 0.020 1 1336 147 169 THR C C 171.732 0.300 1 1337 147 169 THR CA C 61.919 0.300 1 1338 147 169 THR CB C 69.553 0.300 1 1339 147 169 THR CG2 C 18.710 0.300 1 1340 147 169 THR N N 113.654 0.300 1 1341 148 170 ALA H H 8.262 0.020 1 1342 148 170 ALA HA H 4.588 0.020 1 1343 148 170 ALA HB H 1.542 0.020 1 1344 148 170 ALA C C 174.606 0.300 1 1345 148 170 ALA CA C 52.298 0.300 1 1346 148 170 ALA CB C 19.729 0.300 1 1347 148 170 ALA N N 125.543 0.300 1 1348 149 171 THR H H 8.385 0.020 1 1349 149 171 THR HA H 4.630 0.020 1 1350 149 171 THR HB H 4.485 0.020 1 1351 149 171 THR HG1 H 4.706 0.020 1 1352 149 171 THR HG2 H 1.334 0.020 1 1353 149 171 THR C C 172.517 0.300 1 1354 149 171 THR CA C 61.078 0.300 1 1355 149 171 THR CB C 70.520 0.300 1 1356 149 171 THR CG2 C 18.710 0.300 1 1357 149 171 THR N N 111.853 0.300 1 1358 150 172 ARG H H 8.595 0.020 1 1359 150 172 ARG HA H 4.264 0.020 1 1360 150 172 ARG HB2 H 1.983 0.020 2 1361 150 172 ARG HB3 H 1.999 0.020 2 1362 150 172 ARG HD2 H 3.300 0.020 2 1363 150 172 ARG HD3 H 3.294 0.020 2 1364 150 172 ARG HG2 H 1.772 0.020 2 1365 150 172 ARG HG3 H 1.760 0.020 2 1366 150 172 ARG C C 174.291 0.300 1 1367 150 172 ARG CA C 57.707 0.300 1 1368 150 172 ARG CB C 29.956 0.300 1 1369 150 172 ARG CD C 40.466 0.300 1 1370 150 172 ARG CG C 24.228 0.300 1 1371 150 172 ARG N N 121.812 0.300 1 1372 151 173 GLU H H 8.516 0.020 1 1373 151 173 GLU HA H 4.268 0.020 1 1374 151 173 GLU HB2 H 2.110 0.020 2 1375 151 173 GLU HB3 H 2.062 0.020 2 1376 151 173 GLU HG2 H 2.446 0.020 2 1377 151 173 GLU HG3 H 2.404 0.020 2 1378 151 173 GLU C C 174.433 0.300 1 1379 151 173 GLU CA C 57.771 0.300 1 1380 151 173 GLU CB C 29.442 0.300 1 1381 151 173 GLU N N 118.604 0.300 1 1382 152 174 ASP H H 8.117 0.020 1 1383 152 174 ASP HA H 4.672 0.020 1 1384 152 174 ASP HB2 H 2.788 0.020 2 1385 152 174 ASP HB3 H 2.709 0.020 2 1386 152 174 ASP C C 173.733 0.300 1 1387 152 174 ASP CA C 55.129 0.300 1 1388 152 174 ASP CB C 40.620 0.300 1 1389 152 174 ASP N N 118.719 0.300 1 1390 153 175 PHE H H 7.844 0.020 1 1391 153 175 PHE HA H 4.639 0.020 1 1392 153 175 PHE HB2 H 3.207 0.020 2 1393 153 175 PHE HB3 H 3.186 0.020 2 1394 153 175 PHE HD1 H 7.349 0.020 3 1395 153 175 PHE HD2 H 7.349 0.020 3 1396 153 175 PHE CA C 58.350 0.300 1 1397 153 175 PHE CB C 38.746 0.300 1 1398 153 175 PHE N N 117.446 0.300 1 1399 154 176 LEU H H 7.768 0.020 1 1400 154 176 LEU HA H 4.363 0.020 1 1401 154 176 LEU HB2 H 1.718 0.020 2 1402 154 176 LEU HB3 H 1.670 0.020 2 1403 154 176 LEU HD1 H 1.001 0.020 2 1404 154 176 LEU HD2 H 0.960 0.020 2 1405 154 176 LEU HG H 1.670 0.020 1 1406 154 176 LEU CA C 55.875 0.300 1 1407 154 176 LEU CB C 41.404 0.300 1 1408 154 176 LEU CD1 C 22.258 0.300 2 1409 154 176 LEU CD2 C 20.851 0.300 2 1410 154 176 LEU CG C 24.096 0.300 1 1411 154 176 LEU N N 117.839 0.300 1 1412 155 177 ASN H H 7.790 0.020 1 1413 155 177 ASN HA H 5.046 0.020 1 1414 155 177 ASN HB2 H 3.048 0.020 2 1415 155 177 ASN HB3 H 3.003 0.020 2 1416 155 177 ASN C C 171.591 0.300 1 1417 155 177 ASN CA C 51.087 0.300 1 1418 155 177 ASN CB C 38.949 0.300 1 1419 155 177 ASN N N 120.183 0.300 1 1420 156 178 PRO HA H 4.410 0.020 1 1421 156 178 PRO HD2 H 4.059 0.020 2 1422 156 178 PRO HD3 H 3.992 0.020 2 1423 156 178 PRO CA C 64.943 0.300 1 1424 156 178 PRO CB C 32.120 0.300 1 1425 156 178 PRO CG C 24.351 0.300 1 1426 157 179 ASP H H 8.313 0.020 1 1427 157 179 ASP HA H 4.672 0.020 1 1428 157 179 ASP HB2 H 2.819 0.020 2 1429 157 179 ASP HB3 H 2.815 0.020 2 1430 157 179 ASP CA C 56.025 0.300 1 1431 157 179 ASP CB C 40.437 0.300 1 1432 157 179 ASP N N 117.449 0.300 1 1433 158 180 VAL H H 7.830 0.020 1 1434 158 180 VAL HA H 3.920 0.020 1 1435 158 180 VAL HB H 2.355 0.020 1 1436 158 180 VAL HG1 H 1.209 0.020 2 1437 158 180 VAL HG2 H 1.069 0.020 2 1438 158 180 VAL C C 174.921 0.300 1 1439 158 180 VAL CA C 65.073 0.300 1 1440 158 180 VAL CB C 31.740 0.300 1 1441 158 180 VAL CG1 C 19.575 0.300 2 1442 158 180 VAL CG2 C 18.338 0.300 2 1443 158 180 VAL N N 119.296 0.300 1 1444 159 181 LEU H H 7.970 0.020 1 1445 159 181 LEU HA H 4.269 0.020 1 1446 159 181 LEU HB2 H 1.889 0.020 2 1447 159 181 LEU HB3 H 1.856 0.020 2 1448 159 181 LEU HD1 H 1.008 0.020 2 1449 159 181 LEU HD2 H 1.008 0.020 2 1450 159 181 LEU HG H 1.856 0.020 1 1451 159 181 LEU CA C 57.352 0.300 1 1452 159 181 LEU CB C 41.605 0.300 1 1453 159 181 LEU CD1 C 21.890 0.300 2 1454 159 181 LEU CD2 C 21.666 0.300 2 1455 159 181 LEU CG C 24.191 0.300 1 1456 159 181 LEU N N 120.021 0.300 1 1457 160 182 ASP H H 8.107 0.020 1 1458 160 182 ASP HA H 4.620 0.020 1 1459 160 182 ASP HB2 H 3.037 0.020 2 1460 160 182 ASP HB3 H 2.913 0.020 2 1461 160 182 ASP CA C 57.590 0.300 1 1462 160 182 ASP CB C 40.061 0.300 1 1463 160 182 ASP N N 117.311 0.300 1 1464 161 183 ILE H H 7.822 0.020 1 1465 161 183 ILE HA H 4.025 0.020 1 1466 161 183 ILE HB H 2.098 0.020 1 1467 161 183 ILE HD1 H 1.008 0.020 1 1468 161 183 ILE HG12 H 1.388 0.020 2 1469 161 183 ILE HG13 H 1.350 0.020 2 1470 161 183 ILE HG2 H 1.033 0.020 1 1471 161 183 ILE C C 176.367 0.300 1 1472 161 183 ILE CA C 64.170 0.300 1 1473 161 183 ILE CB C 37.388 0.300 1 1474 161 183 ILE CD1 C 10.350 0.300 1 1475 161 183 ILE CG1 C 25.754 0.300 1 1476 161 183 ILE CG2 C 14.581 0.300 1 1477 161 183 ILE N N 120.016 0.300 1 1478 162 184 PHE H H 8.444 0.020 1 1479 162 184 PHE HA H 4.402 0.020 1 1480 162 184 PHE HB2 H 3.384 0.020 2 1481 162 184 PHE HB3 H 3.384 0.020 2 1482 162 184 PHE HD1 H 7.315 0.020 3 1483 162 184 PHE HD2 H 7.315 0.020 3 1484 162 184 PHE C C 174.338 0.300 1 1485 162 184 PHE CA C 61.313 0.300 1 1486 162 184 PHE CB C 38.969 0.300 1 1487 162 184 PHE N N 122.675 0.300 1 1488 163 185 ILE H H 8.892 0.020 1 1489 163 185 ILE HA H 3.638 0.020 1 1490 163 185 ILE HB H 2.153 0.020 1 1491 163 185 ILE HD1 H 1.064 0.020 1 1492 163 185 ILE HG12 H 1.394 0.020 2 1493 163 185 ILE HG13 H 1.367 0.020 2 1494 163 185 ILE HG2 H 1.043 0.020 1 1495 163 185 ILE C C 175.614 0.300 1 1496 163 185 ILE CA C 65.044 0.300 1 1497 163 185 ILE CB C 37.521 0.300 1 1498 163 185 ILE CD1 C 10.076 0.300 1 1499 163 185 ILE CG1 C 25.862 0.300 1 1500 163 185 ILE CG2 C 14.681 0.300 1 1501 163 185 ILE N N 118.804 0.300 1 1502 164 186 SER H H 8.322 0.020 1 1503 164 186 SER HA H 4.425 0.020 1 1504 164 186 SER HB2 H 4.186 0.020 2 1505 164 186 SER HB3 H 4.120 0.020 2 1506 164 186 SER C C 175.642 0.300 1 1507 164 186 SER CA C 61.549 0.300 1 1508 164 186 SER CB C 62.696 0.300 1 1509 164 186 SER N N 114.147 0.300 1 1510 165 187 SER H H 8.152 0.020 1 1511 165 187 SER HA H 4.388 0.020 1 1512 165 187 SER HB2 H 4.231 0.020 2 1513 165 187 SER HB3 H 4.192 0.020 2 1514 165 187 SER CA C 62.696 0.300 1 1515 165 187 SER N N 118.197 0.300 1 1516 166 188 VAL H H 8.183 0.020 1 1517 166 188 VAL HA H 3.637 0.020 1 1518 166 188 VAL HB H 2.165 0.020 1 1519 166 188 VAL HG1 H 0.920 0.020 2 1520 166 188 VAL HG2 H 0.857 0.020 2 1521 166 188 VAL CA C 66.359 0.300 1 1522 166 188 VAL CB C 31.148 0.300 1 1523 166 188 VAL CG1 C 19.301 0.300 2 1524 166 188 VAL CG2 C 20.009 0.300 2 1525 166 188 VAL N N 121.060 0.300 1 1526 167 189 GLN H H 8.306 0.020 1 1527 167 189 GLN HA H 4.103 0.020 1 1528 167 189 GLN HB2 H 2.273 0.020 2 1529 167 189 GLN HB3 H 2.273 0.020 2 1530 167 189 GLN HG2 H 2.374 0.020 2 1531 167 189 GLN HG3 H 2.441 0.020 2 1532 167 189 GLN CA C 59.386 0.300 1 1533 167 189 GLN N N 118.142 0.300 1 1534 168 190 LYS H H 7.872 0.020 1 1535 168 190 LYS HA H 4.276 0.020 1 1536 168 190 LYS HB2 H 2.181 0.020 2 1537 168 190 LYS HB3 H 2.173 0.020 2 1538 168 190 LYS HE2 H 2.688 0.020 2 1539 168 190 LYS HE3 H 2.688 0.020 2 1540 168 190 LYS C C 176.325 0.300 1 1541 168 190 LYS CA C 57.720 0.300 1 1542 168 190 LYS CB C 32.137 0.300 1 1543 168 190 LYS N N 118.570 0.300 1 1544 169 191 VAL H H 7.968 0.020 1 1545 169 191 VAL HA H 3.748 0.020 1 1546 169 191 VAL HB H 2.323 0.020 1 1547 169 191 VAL HG1 H 1.151 0.020 2 1548 169 191 VAL HG2 H 0.965 0.020 2 1549 169 191 VAL CA C 63.361 0.300 1 1550 169 191 VAL CB C 31.833 0.300 1 1551 169 191 VAL CG1 C 19.310 0.300 2 1552 169 191 VAL CG2 C 18.601 0.300 2 1553 169 191 VAL N N 118.297 0.300 1 1554 170 192 PHE H H 8.395 0.020 1 1555 170 192 PHE HA H 4.307 0.020 1 1556 170 192 PHE HB2 H 3.366 0.020 2 1557 170 192 PHE HB3 H 3.287 0.020 2 1558 170 192 PHE HD1 H 7.362 0.020 3 1559 170 192 PHE C C 174.412 0.300 1 1560 170 192 PHE CA C 61.044 0.300 1 1561 170 192 PHE CB C 38.944 0.300 1 1562 170 192 PHE N N 118.414 0.300 1 1563 171 193 GLN H H 8.200 0.020 1 1564 171 193 GLN HA H 4.228 0.020 1 1565 171 193 GLN HB2 H 2.341 0.020 2 1566 171 193 GLN HB3 H 2.341 0.020 2 1567 171 193 GLN CA C 61.100 0.300 1 1568 171 193 GLN CB C 31.686 0.300 1 1569 171 193 GLN N N 117.567 0.300 1 1570 172 194 VAL H H 8.085 0.020 1 1571 172 194 VAL HA H 3.779 0.020 1 1572 172 194 VAL HB H 2.378 0.020 1 1573 172 194 VAL HG1 H 1.066 0.020 2 1574 172 194 VAL HG2 H 1.067 0.020 2 1575 172 194 VAL CA C 65.711 0.300 1 1576 172 194 VAL CB C 31.533 0.300 1 1577 172 194 VAL CG1 C 18.633 0.300 2 1578 172 194 VAL CG2 C 18.550 0.300 2 1579 172 194 VAL N N 119.573 0.300 1 1580 173 195 VAL H H 8.289 0.020 1 1581 173 195 VAL HA H 3.812 0.020 1 1582 173 195 VAL HB H 2.288 0.020 1 1583 173 195 VAL HG1 H 1.113 0.020 2 1584 173 195 VAL HG2 H 1.039 0.020 2 1585 173 195 VAL CA C 62.920 0.300 1 1586 173 195 VAL CB C 31.935 0.300 1 1587 173 195 VAL CG1 C 18.610 0.300 2 1588 173 195 VAL CG2 C 18.610 0.300 2 1589 173 195 VAL N N 120.298 0.300 1 1590 174 196 GLU H H 8.413 0.020 1 1591 174 196 GLU HA H 4.208 0.020 1 1592 174 196 GLU HB2 H 2.165 0.020 2 1593 174 196 GLU HB3 H 2.108 0.020 2 1594 174 196 GLU HG2 H 2.410 0.020 2 1595 174 196 GLU HG3 H 2.379 0.020 2 1596 174 196 GLU CA C 58.265 0.300 1 1597 174 196 GLU CB C 28.809 0.300 1 1598 174 196 GLU CG C 39.095 0.300 1 1599 174 196 GLU N N 118.860 0.300 1 1600 175 197 SER H H 7.931 0.020 1 1601 175 197 SER HA H 4.548 0.020 1 1602 175 197 SER HB2 H 4.186 0.020 2 1603 175 197 SER HB3 H 4.143 0.020 2 1604 175 197 SER CA C 59.853 0.300 1 1605 175 197 SER CB C 62.849 0.300 1 1606 175 197 SER N N 112.902 0.300 1 1607 176 198 THR H H 7.868 0.020 1 1608 176 198 THR HA H 4.499 0.020 1 1609 176 198 THR HB H 4.371 0.020 1 1610 176 198 THR HG1 H 4.698 0.020 1 1611 176 198 THR HG2 H 1.395 0.020 1 1612 176 198 THR CA C 61.951 0.300 1 1613 176 198 THR CB C 69.706 0.300 1 1614 176 198 THR CG2 C 18.747 0.300 1 1615 176 198 THR N N 113.274 0.300 1 1616 177 199 ARG H H 8.020 0.020 1 1617 177 199 ARG HA H 4.686 0.020 1 1618 177 199 ARG HB2 H 2.000 0.020 2 1619 177 199 ARG HB3 H 1.953 0.020 2 1620 177 199 ARG HD2 H 3.329 0.020 2 1621 177 199 ARG HD3 H 3.304 0.020 2 1622 177 199 ARG HG2 H 1.830 0.020 2 1623 177 199 ARG HG3 H 1.813 0.020 2 1624 177 199 ARG C C 171.485 0.300 1 1625 177 199 ARG CA C 54.511 0.300 1 1626 177 199 ARG CB C 30.415 0.300 1 1627 177 199 ARG CD C 40.393 0.300 1 1628 177 199 ARG CG C 24.467 0.300 1 1629 177 199 ARG N N 122.222 0.300 1 1630 178 200 PRO HA H 4.578 0.020 1 1631 178 200 PRO HB2 H 2.424 0.020 2 1632 178 200 PRO HB3 H 2.066 0.020 2 1633 178 200 PRO HD2 H 3.908 0.020 2 1634 178 200 PRO HD3 H 3.778 0.020 2 1635 178 200 PRO HG2 H 2.123 0.020 2 1636 178 200 PRO HG3 H 2.095 0.020 2 1637 178 200 PRO C C 175.161 0.300 1 1638 178 200 PRO CA C 63.500 0.300 1 1639 178 200 PRO CB C 31.734 0.300 1 1640 178 200 PRO CD C 47.517 0.300 1 1641 178 200 PRO CG C 24.452 0.300 1 1642 179 201 GLY H H 8.529 0.020 1 1643 179 201 GLY HA2 H 4.087 0.020 2 1644 179 201 GLY HA3 H 4.089 0.020 2 1645 179 201 GLY C C 171.602 0.300 1 1646 179 201 GLY CA C 45.236 0.300 1 1647 179 201 GLY N N 108.410 0.300 1 1648 180 202 LYS H H 8.132 0.020 1 1649 180 202 LYS HA H 4.369 0.020 1 1650 180 202 LYS HB2 H 1.949 0.020 2 1651 180 202 LYS HB3 H 1.885 0.020 2 1652 180 202 LYS HD2 H 1.775 0.020 2 1653 180 202 LYS HD3 H 1.762 0.020 2 1654 180 202 LYS HE2 H 3.111 0.020 2 1655 180 202 LYS HE3 H 3.111 0.020 2 1656 180 202 LYS HG2 H 1.518 0.020 2 1657 180 202 LYS HG3 H 1.497 0.020 2 1658 180 202 LYS CA C 56.346 0.300 1 1659 180 202 LYS CB C 32.507 0.300 1 1660 180 202 LYS CD C 25.920 0.300 1 1661 180 202 LYS CE C 39.010 0.300 1 1662 180 202 LYS CG C 21.909 0.300 1 1663 180 202 LYS N N 120.272 0.300 1 1664 181 203 LYS H H 8.347 0.020 1 1665 181 203 LYS HA H 4.382 0.020 1 1666 181 203 LYS HB2 H 1.791 0.020 2 1667 181 203 LYS HB3 H 1.785 0.020 2 1668 181 203 LYS HD2 H 1.740 0.020 2 1669 181 203 LYS HD3 H 1.740 0.020 2 1670 181 203 LYS HE2 H 3.041 0.020 2 1671 181 203 LYS HE3 H 3.036 0.020 2 1672 181 203 LYS HG2 H 1.516 0.020 2 1673 181 203 LYS HG3 H 1.424 0.020 2 1674 181 203 LYS C C 173.952 0.300 1 1675 181 203 LYS CA C 56.077 0.300 1 1676 181 203 LYS CB C 32.270 0.300 1 1677 181 203 LYS CD C 26.048 0.300 1 1678 181 203 LYS CE C 38.972 0.300 1 1679 181 203 LYS CG C 21.849 0.300 1 1680 181 203 LYS N N 121.441 0.300 1 1681 182 204 VAL H H 8.132 0.020 1 1682 182 204 VAL HA H 4.189 0.020 1 1683 182 204 VAL HB H 2.151 0.020 1 1684 182 204 VAL HG1 H 1.042 0.020 2 1685 182 204 VAL HG2 H 0.969 0.020 2 1686 182 204 VAL CA C 62.826 0.300 1 1687 182 204 VAL CB C 31.980 0.300 1 1688 182 204 VAL CG1 C 18.014 0.300 2 1689 182 204 VAL CG2 C 18.307 0.300 2 1690 182 204 VAL N N 120.037 0.300 1 1691 183 205 TRP H H 8.213 0.020 1 1692 183 205 TRP HA H 4.819 0.020 1 1693 183 205 TRP HB2 H 3.390 0.020 2 1694 183 205 TRP HB3 H 3.390 0.020 2 1695 183 205 TRP HD1 H 7.354 0.020 1 1696 183 205 TRP HE1 H 10.391 0.020 1 1697 183 205 TRP HZ2 H 7.637 0.020 1 1698 183 205 TRP CA C 57.447 0.300 1 1699 183 205 TRP CB C 29.345 0.300 1 1700 183 205 TRP N N 122.882 0.300 1 1701 183 205 TRP NE1 N 129.745 0.300 1 1702 184 206 LEU H H 8.004 0.020 1 1703 184 206 LEU HA H 4.405 0.020 1 1704 184 206 LEU HB2 H 1.653 0.020 2 1705 184 206 LEU HB3 H 1.642 0.020 2 1706 184 206 LEU HD2 H 0.956 0.020 2 1707 184 206 LEU HG H 1.580 0.020 1 1708 184 206 LEU C C 174.765 0.300 1 1709 184 206 LEU CA C 54.987 0.300 1 1710 184 206 LEU CB C 41.725 0.300 1 1711 184 206 LEU CD1 C 22.036 0.300 2 1712 184 206 LEU CD2 C 20.768 0.300 2 1713 184 206 LEU CG C 24.097 0.300 1 1714 184 206 LEU N N 121.838 0.300 1 1715 185 207 GLY H H 7.811 0.020 1 1716 185 207 GLY HA2 H 3.970 0.020 2 1717 185 207 GLY HA3 H 3.920 0.020 2 1718 185 207 GLY C C 171.554 0.300 1 1719 185 207 GLY CA C 45.244 0.300 1 1720 185 207 GLY N N 107.585 0.300 1 1721 186 208 GLU H H 8.314 0.020 1 1722 186 208 GLU HA H 4.476 0.020 1 1723 186 208 GLU HB2 H 2.249 0.020 2 1724 186 208 GLU HB3 H 2.090 0.020 2 1725 186 208 GLU HG2 H 2.390 0.020 2 1726 186 208 GLU HG3 H 2.393 0.020 2 1727 186 208 GLU CA C 56.615 0.300 1 1728 186 208 GLU CB C 29.936 0.300 1 1729 186 208 GLU CG C 33.436 0.300 1 1730 186 208 GLU N N 120.169 0.300 1 1731 187 209 THR H H 8.243 0.020 1 1732 187 209 THR HA H 4.478 0.020 1 1733 187 209 THR HB H 4.369 0.020 1 1734 187 209 THR HG1 H 4.697 0.020 1 1735 187 209 THR HG2 H 1.334 0.020 1 1736 187 209 THR C C 172.300 0.300 1 1737 187 209 THR CA C 62.050 0.300 1 1738 187 209 THR CB C 69.620 0.300 1 1739 187 209 THR CG2 C 18.710 0.300 1 1740 187 209 THR N N 114.112 0.300 1 1741 188 210 SER H H 8.351 0.020 1 1742 188 210 SER HA H 4.560 0.020 1 1743 188 210 SER HB2 H 4.041 0.020 2 1744 188 210 SER HB3 H 3.984 0.020 2 1745 188 210 SER CA C 58.486 0.300 1 1746 188 210 SER CB C 63.654 0.300 1 1747 188 210 SER N N 117.275 0.300 1 1748 189 211 SER H H 8.317 0.020 1 1749 189 211 SER HA H 4.628 0.020 1 1750 189 211 SER HB2 H 4.077 0.020 2 1751 189 211 SER HB3 H 3.969 0.020 2 1752 189 211 SER CA C 58.288 0.300 1 1753 189 211 SER CB C 63.016 0.300 1 1754 189 211 SER N N 117.449 0.300 1 1755 190 212 ALA H H 8.257 0.020 1 1756 190 212 ALA HA H 4.402 0.020 1 1757 190 212 ALA HB H 1.388 0.020 1 1758 190 212 ALA C C 174.940 0.300 1 1759 190 212 ALA CA C 52.684 0.300 1 1760 190 212 ALA CB C 18.942 0.300 1 1761 190 212 ALA N N 125.063 0.300 1 1762 191 213 TYR H H 8.051 0.020 1 1763 191 213 TYR HA H 4.696 0.020 1 1764 191 213 TYR HB2 H 3.167 0.020 2 1765 191 213 TYR HB3 H 3.069 0.020 2 1766 191 213 TYR C C 173.829 0.300 1 1767 191 213 TYR CA C 57.784 0.300 1 1768 191 213 TYR CB C 38.944 0.300 1 1769 191 213 TYR N N 118.000 0.300 1 1770 192 214 GLY H H 8.276 0.020 1 1771 192 214 GLY HA2 H 4.073 0.020 2 1772 192 214 GLY HA3 H 4.055 0.020 2 1773 192 214 GLY C C 172.191 0.300 1 1774 192 214 GLY CA C 45.278 0.300 1 1775 192 214 GLY N N 110.170 0.300 1 1776 193 215 GLY H H 7.974 0.020 1 1777 193 215 GLY HA2 H 4.093 0.020 2 1778 193 215 GLY HA3 H 4.086 0.020 2 1779 193 215 GLY C C 172.012 0.300 1 1780 193 215 GLY CA C 45.282 0.300 1 1781 193 215 GLY N N 108.079 0.300 1 1782 194 216 GLY H H 8.299 0.020 1 1783 194 216 GLY HA2 H 4.081 0.020 2 1784 194 216 GLY HA3 H 4.071 0.020 2 1785 194 216 GLY C C 170.843 0.300 1 1786 194 216 GLY CA C 44.974 0.300 1 1787 194 216 GLY N N 108.322 0.300 1 1788 195 217 ALA H H 8.192 0.020 1 1789 195 217 ALA HA H 4.703 0.020 1 1790 195 217 ALA HB H 1.508 0.020 1 1791 195 217 ALA C C 172.966 0.300 1 1792 195 217 ALA CA C 50.902 0.300 1 1793 195 217 ALA CB C 18.132 0.300 1 1794 195 217 ALA N N 124.174 0.300 1 1795 196 218 PRO HA H 4.566 0.020 1 1796 196 218 PRO HB2 H 2.396 0.020 2 1797 196 218 PRO HB3 H 2.012 0.020 2 1798 196 218 PRO HD2 H 3.863 0.020 2 1799 196 218 PRO HD3 H 3.755 0.020 2 1800 196 218 PRO C C 174.375 0.300 1 1801 196 218 PRO CA C 63.393 0.300 1 1802 196 218 PRO CB C 31.640 0.300 1 1803 196 218 PRO CD C 47.517 0.300 1 1804 196 218 PRO CG C 24.351 0.300 1 1805 197 219 LEU H H 8.323 0.020 1 1806 197 219 LEU HA H 4.427 0.020 1 1807 197 219 LEU HB2 H 1.791 0.020 2 1808 197 219 LEU HB3 H 1.777 0.020 2 1809 197 219 LEU HD1 H 1.032 0.020 2 1810 197 219 LEU HD2 H 0.978 0.020 2 1811 197 219 LEU HG H 1.705 0.020 1 1812 197 219 LEU C C 175.503 0.300 1 1813 197 219 LEU CA C 55.787 0.300 1 1814 197 219 LEU CB C 41.820 0.300 1 1815 197 219 LEU CD1 C 22.180 0.300 2 1816 197 219 LEU CD2 C 20.920 0.300 2 1817 197 219 LEU CG C 24.555 0.300 1 1818 197 219 LEU N N 120.700 0.300 1 1819 198 220 LEU H H 8.398 0.020 1 1820 198 220 LEU HA H 4.420 0.020 1 1821 198 220 LEU HB2 H 1.843 0.020 2 1822 198 220 LEU HB3 H 1.756 0.020 2 1823 198 220 LEU HD1 H 1.010 0.020 2 1824 198 220 LEU HD2 H 0.974 0.020 2 1825 198 220 LEU HG H 1.722 0.020 1 1826 198 220 LEU C C 175.169 0.300 1 1827 198 220 LEU CA C 56.075 0.300 1 1828 198 220 LEU CB C 41.869 0.300 1 1829 198 220 LEU CD1 C 22.234 0.300 2 1830 198 220 LEU CD2 C 20.865 0.300 2 1831 198 220 LEU CG C 24.205 0.300 1 1832 198 220 LEU N N 120.819 0.300 1 1833 199 221 SER H H 8.296 0.020 1 1834 199 221 SER HA H 4.378 0.020 1 1835 199 221 SER HB2 H 4.111 0.020 2 1836 199 221 SER HB3 H 4.020 0.020 2 1837 199 221 SER C C 173.330 0.300 1 1838 199 221 SER CA C 60.186 0.300 1 1839 199 221 SER CB C 62.990 0.300 1 1840 199 221 SER N N 114.582 0.300 1 1841 200 222 ASP H H 8.383 0.020 1 1842 200 222 ASP HA H 4.367 0.020 1 1843 200 222 ASP HB2 H 2.901 0.020 2 1844 200 222 ASP HB3 H 2.895 0.020 2 1845 200 222 ASP CA C 56.345 0.300 1 1846 200 222 ASP CB C 40.371 0.300 1 1847 200 222 ASP N N 121.404 0.300 1 1848 201 223 THR H H 8.081 0.020 1 1849 201 223 THR HA H 4.145 0.020 1 1850 201 223 THR HB H 4.198 0.020 1 1851 201 223 THR HG2 H 1.184 0.020 1 1852 201 223 THR CA C 65.157 0.300 1 1853 201 223 THR CB C 68.686 0.300 1 1854 201 223 THR N N 116.096 0.300 1 1855 202 224 PHE H H 8.199 0.020 1 1856 202 224 PHE HA H 4.528 0.020 1 1857 202 224 PHE HB2 H 3.265 0.020 2 1858 202 224 PHE HB3 H 3.223 0.020 2 1859 202 224 PHE C C 174.220 0.300 1 1860 202 224 PHE CA C 59.550 0.300 1 1861 202 224 PHE CB C 38.584 0.300 1 1862 202 224 PHE N N 120.077 0.300 1 1863 203 225 ALA H H 8.161 0.020 1 1864 203 225 ALA HA H 4.272 0.020 1 1865 203 225 ALA HB H 1.680 0.020 1 1866 203 225 ALA C C 174.173 0.300 1 1867 203 225 ALA CA C 54.213 0.300 1 1868 203 225 ALA CB C 18.403 0.300 1 1869 203 225 ALA N N 121.718 0.300 1 1870 204 226 ALA H H 8.133 0.020 1 1871 204 226 ALA HA H 4.384 0.020 1 1872 204 226 ALA HB H 1.635 0.020 1 1873 204 226 ALA CA C 54.271 0.300 1 1874 204 226 ALA CB C 18.395 0.300 1 1875 204 226 ALA N N 120.260 0.300 1 1876 205 227 GLY H H 8.300 0.020 1 1877 205 227 GLY HA2 H 3.993 0.020 2 1878 205 227 GLY HA3 H 3.778 0.020 2 1879 205 227 GLY C C 171.990 0.300 1 1880 205 227 GLY CA C 46.630 0.300 1 1881 205 227 GLY N N 105.868 0.300 1 1882 206 228 PHE H H 8.386 0.020 1 1883 206 228 PHE HA H 4.484 0.020 1 1884 206 228 PHE HB2 H 3.292 0.020 2 1885 206 228 PHE HB3 H 3.150 0.020 2 1886 206 228 PHE C C 175.093 0.300 1 1887 206 228 PHE CA C 60.123 0.300 1 1888 206 228 PHE CB C 38.460 0.300 1 1889 206 228 PHE N N 119.563 0.300 1 1890 207 229 MET H H 8.259 0.020 1 1891 207 229 MET HA H 4.379 0.020 1 1892 207 229 MET HB2 H 2.322 0.020 2 1893 207 229 MET HB3 H 2.276 0.020 2 1894 207 229 MET C C 175.579 0.300 1 1895 207 229 MET CA C 58.169 0.300 1 1896 207 229 MET CB C 32.117 0.300 1 1897 207 229 MET CE C 18.710 0.300 1 1898 207 229 MET N N 119.310 0.300 1 1899 208 230 TRP H H 8.057 0.020 1 1900 208 230 TRP HA H 4.495 0.020 1 1901 208 230 TRP HB2 H 3.521 0.020 2 1902 208 230 TRP HB3 H 3.460 0.020 2 1903 208 230 TRP HD1 H 7.423 0.020 1 1904 208 230 TRP HE1 H 10.385 0.020 1 1905 208 230 TRP HH2 H 7.174 0.020 1 1906 208 230 TRP HZ2 H 7.483 0.020 1 1907 208 230 TRP C C 175.197 0.300 1 1908 208 230 TRP CA C 60.133 0.300 1 1909 208 230 TRP CB C 28.749 0.300 1 1910 208 230 TRP N N 120.111 0.300 1 1911 208 230 TRP NE1 N 129.379 0.300 1 1912 209 231 LEU H H 7.954 0.020 1 1913 209 231 LEU HA H 4.022 0.020 1 1914 209 231 LEU HB2 H 1.925 0.020 2 1915 209 231 LEU HB3 H 1.903 0.020 2 1916 209 231 LEU HD1 H 0.990 0.020 2 1917 209 231 LEU HD2 H 1.000 0.020 2 1918 209 231 LEU HG H 1.768 0.020 1 1919 209 231 LEU CA C 57.842 0.300 1 1920 209 231 LEU CB C 41.464 0.300 1 1921 209 231 LEU CD1 C 22.236 0.300 2 1922 209 231 LEU CD2 C 20.853 0.300 2 1923 209 231 LEU CG C 24.114 0.300 1 1924 209 231 LEU N N 118.502 0.300 1 1925 210 232 ASP H H 8.084 0.020 1 1926 210 232 ASP HA H 4.547 0.020 1 1927 210 232 ASP HB2 H 2.913 0.020 2 1928 210 232 ASP HB3 H 2.907 0.020 2 1929 210 232 ASP CA C 56.523 0.300 1 1930 210 232 ASP CB C 40.878 0.300 1 1931 210 232 ASP N N 117.905 0.300 1 1932 211 233 LYS H H 7.956 0.020 1 1933 211 233 LYS HA H 4.241 0.020 1 1934 211 233 LYS HB2 H 2.054 0.020 2 1935 211 233 LYS HB3 H 2.022 0.020 2 1936 211 233 LYS HD2 H 1.785 0.020 2 1937 211 233 LYS HD3 H 1.795 0.020 2 1938 211 233 LYS HE2 H 3.102 0.020 2 1939 211 233 LYS HE3 H 3.102 0.020 2 1940 211 233 LYS HG2 H 1.698 0.020 2 1941 211 233 LYS HG3 H 1.670 0.020 2 1942 211 233 LYS C C 175.075 0.300 1 1943 211 233 LYS CA C 57.971 0.300 1 1944 211 233 LYS CB C 32.181 0.300 1 1945 211 233 LYS CD C 26.164 0.300 1 1946 211 233 LYS CE C 38.855 0.300 1 1947 211 233 LYS CG C 22.151 0.300 1 1948 211 233 LYS N N 118.722 0.300 1 1949 212 234 LEU H H 7.794 0.020 1 1950 212 234 LEU HA H 4.330 0.020 1 1951 212 234 LEU HB2 H 1.848 0.020 2 1952 212 234 LEU HB3 H 1.715 0.020 2 1953 212 234 LEU HD1 H 0.882 0.020 2 1954 212 234 LEU HD2 H 0.933 0.020 2 1955 212 234 LEU HG H 1.710 0.020 1 1956 212 234 LEU C C 175.057 0.300 1 1957 212 234 LEU CA C 56.111 0.300 1 1958 212 234 LEU CB C 42.015 0.300 1 1959 212 234 LEU CD1 C 22.337 0.300 2 1960 212 234 LEU CD2 C 20.727 0.300 2 1961 212 234 LEU CG C 24.048 0.300 1 1962 212 234 LEU N N 118.510 0.300 1 1963 213 235 GLY H H 8.171 0.020 1 1964 213 235 GLY HA2 H 4.137 0.020 2 1965 213 235 GLY HA3 H 4.016 0.020 2 1966 213 235 GLY C C 172.409 0.300 1 1967 213 235 GLY CA C 45.835 0.300 1 1968 213 235 GLY N N 106.940 0.300 1 1969 214 236 LEU H H 8.063 0.020 1 1970 214 236 LEU HA H 4.422 0.020 1 1971 214 236 LEU HB2 H 1.801 0.020 2 1972 214 236 LEU HB3 H 1.790 0.020 2 1973 214 236 LEU HD1 H 1.016 0.020 2 1974 214 236 LEU HD2 H 1.016 0.020 2 1975 214 236 LEU HG H 1.722 0.020 1 1976 214 236 LEU CA C 55.791 0.300 1 1977 214 236 LEU CB C 42.179 0.300 1 1978 214 236 LEU CD1 C 22.135 0.300 2 1979 214 236 LEU CD2 C 20.826 0.300 2 1980 214 236 LEU CG C 24.149 0.300 1 1981 214 236 LEU N N 120.385 0.300 1 1982 215 237 SER H H 8.206 0.020 1 1983 215 237 SER HA H 4.518 0.020 1 1984 215 237 SER HB2 H 4.174 0.020 2 1985 215 237 SER HB3 H 3.999 0.020 2 1986 215 237 SER C C 172.897 0.300 1 1987 215 237 SER CA C 59.607 0.300 1 1988 215 237 SER CB C 63.816 0.300 1 1989 215 237 SER N N 114.410 0.300 1 1990 216 238 ALA H H 8.575 0.020 1 1991 216 238 ALA HA H 4.262 0.020 1 1992 216 238 ALA HB H 1.564 0.020 1 1993 216 238 ALA C C 176.022 0.300 1 1994 216 238 ALA CA C 54.412 0.300 1 1995 216 238 ALA CB C 18.497 0.300 1 1996 216 238 ALA N N 124.665 0.300 1 1997 217 239 ARG H H 8.329 0.020 1 1998 217 239 ARG HA H 4.116 0.020 1 1999 217 239 ARG HB2 H 2.046 0.020 2 2000 217 239 ARG HB3 H 2.046 0.020 2 2001 217 239 ARG HD2 H 3.309 0.020 2 2002 217 239 ARG HD3 H 3.309 0.020 2 2003 217 239 ARG HG2 H 1.830 0.020 2 2004 217 239 ARG HG3 H 1.752 0.020 2 2005 217 239 ARG C C 175.239 0.300 1 2006 217 239 ARG CA C 58.732 0.300 1 2007 217 239 ARG CB C 29.742 0.300 1 2008 217 239 ARG N N 116.817 0.300 1 2009 218 240 MET H H 8.161 0.020 1 2010 218 240 MET HA H 4.446 0.020 1 2011 218 240 MET HB2 H 2.305 0.020 2 2012 218 240 MET HB3 H 2.305 0.020 2 2013 218 240 MET HG2 H 2.853 0.020 2 2014 218 240 MET HG3 H 2.730 0.020 2 2015 218 240 MET CA C 57.695 0.300 1 2016 218 240 MET CB C 32.276 0.300 1 2017 218 240 MET CG C 29.547 0.300 1 2018 218 240 MET N N 117.503 0.300 1 2019 219 241 GLY H H 8.437 0.020 1 2020 219 241 GLY HA2 H 3.971 0.020 2 2021 219 241 GLY HA3 H 3.876 0.020 2 2022 219 241 GLY C C 172.336 0.300 1 2023 219 241 GLY CA C 46.742 0.300 1 2024 219 241 GLY N N 106.782 0.300 1 2025 220 242 ILE H H 8.345 0.020 1 2026 220 242 ILE HA H 3.929 0.020 1 2027 220 242 ILE HB H 2.068 0.020 1 2028 220 242 ILE HD1 H 0.990 0.020 1 2029 220 242 ILE HG12 H 1.342 0.020 2 2030 220 242 ILE HG13 H 1.300 0.020 2 2031 220 242 ILE HG2 H 1.073 0.020 1 2032 220 242 ILE C C 174.543 0.300 1 2033 220 242 ILE CA C 64.342 0.300 1 2034 220 242 ILE CB C 37.527 0.300 1 2035 220 242 ILE CD1 C 10.250 0.300 1 2036 220 242 ILE CG1 C 26.164 0.300 1 2037 220 242 ILE CG2 C 14.681 0.300 1 2038 220 242 ILE N N 120.112 0.300 1 2039 221 243 GLU H H 8.333 0.020 1 2040 221 243 GLU HA H 4.101 0.020 1 2041 221 243 GLU HB2 H 2.385 0.020 2 2042 221 243 GLU HB3 H 2.298 0.020 2 2043 221 243 GLU HG2 H 2.619 0.020 2 2044 221 243 GLU HG3 H 2.619 0.020 2 2045 221 243 GLU CA C 59.509 0.300 1 2046 221 243 GLU CB C 28.291 0.300 1 2047 221 243 GLU N N 120.240 0.300 1 2048 222 244 VAL H H 8.029 0.020 1 2049 222 244 VAL HA H 3.864 0.020 1 2050 222 244 VAL HB H 2.395 0.020 1 2051 222 244 VAL HG1 H 1.265 0.020 2 2052 222 244 VAL HG2 H 1.090 0.020 2 2053 222 244 VAL CA C 66.280 0.300 1 2054 222 244 VAL CB C 31.287 0.300 1 2055 222 244 VAL CG1 C 19.752 0.300 2 2056 222 244 VAL CG2 C 18.528 0.300 2 2057 222 244 VAL N N 117.993 0.300 1 2058 223 245 VAL H H 7.887 0.020 1 2059 223 245 VAL HA H 3.812 0.020 1 2060 223 245 VAL HB H 2.325 0.020 1 2061 223 245 VAL HG1 H 1.220 0.020 2 2062 223 245 VAL HG2 H 1.100 0.020 2 2063 223 245 VAL C C 175.243 0.300 1 2064 223 245 VAL CA C 66.171 0.300 1 2065 223 245 VAL CB C 31.753 0.300 1 2066 223 245 VAL CG1 C 20.254 0.300 2 2067 223 245 VAL CG2 C 18.574 0.300 2 2068 223 245 VAL N N 119.172 0.300 1 2069 224 246 MET H H 8.611 0.020 1 2070 224 246 MET HA H 4.333 0.020 1 2071 224 246 MET HB2 H 2.157 0.020 2 2072 224 246 MET HB3 H 2.121 0.020 2 2073 224 246 MET HG2 H 2.411 0.020 2 2074 224 246 MET HG3 H 2.404 0.020 2 2075 224 246 MET CA C 58.168 0.300 1 2076 224 246 MET CB C 32.671 0.300 1 2077 224 246 MET CG C 29.130 0.300 1 2078 224 246 MET N N 117.116 0.300 1 2079 225 247 ARG H H 8.295 0.020 1 2080 225 247 ARG HA H 4.237 0.020 1 2081 225 247 ARG HB2 H 2.150 0.020 2 2082 225 247 ARG HB3 H 2.135 0.020 2 2083 225 247 ARG CA C 59.484 0.300 1 2084 225 247 ARG CB C 29.641 0.300 1 2085 225 247 ARG N N 117.615 0.300 1 2086 226 248 GLN H H 8.032 0.020 1 2087 226 248 GLN HA H 4.332 0.020 1 2088 226 248 GLN HB2 H 2.360 0.020 2 2089 226 248 GLN HB3 H 2.354 0.020 2 2090 226 248 GLN HG2 H 2.633 0.020 2 2091 226 248 GLN HG3 H 2.608 0.020 2 2092 226 248 GLN CA C 57.719 0.300 1 2093 226 248 GLN CB C 28.376 0.300 1 2094 226 248 GLN N N 116.744 0.300 1 2095 227 249 VAL H H 8.187 0.020 1 2096 227 249 VAL HA H 3.933 0.020 1 2097 227 249 VAL HB H 2.140 0.020 1 2098 227 249 VAL HG2 H 0.690 0.020 1 2099 227 249 VAL C C 174.044 0.300 1 2100 227 249 VAL CA C 64.871 0.300 1 2101 227 249 VAL CB C 31.951 0.300 1 2102 227 249 VAL CG1 C 19.415 0.300 2 2103 227 249 VAL CG2 C 18.442 0.300 2 2104 227 249 VAL N N 117.305 0.300 1 2105 228 250 PHE H H 8.082 0.020 1 2106 228 250 PHE HA H 4.561 0.020 1 2107 228 250 PHE HB2 H 2.949 0.020 2 2108 228 250 PHE HB3 H 2.947 0.020 2 2109 228 250 PHE CA C 59.583 0.300 1 2110 228 250 PHE CB C 38.924 0.300 1 2111 228 250 PHE N N 116.479 0.300 1 2112 229 251 PHE H H 8.094 0.020 1 2113 229 251 PHE HA H 4.884 0.020 1 2114 229 251 PHE HB2 H 3.489 0.020 2 2115 229 251 PHE HB3 H 3.292 0.020 2 2116 229 251 PHE HD1 H 7.296 0.020 3 2117 229 251 PHE HD2 H 7.296 0.020 3 2118 229 251 PHE HE1 H 7.513 0.020 3 2119 229 251 PHE HE2 H 7.513 0.020 3 2120 229 251 PHE CA C 57.988 0.300 1 2121 229 251 PHE CB C 39.032 0.300 1 2122 229 251 PHE N N 116.589 0.300 1 2123 230 252 GLY H H 8.117 0.020 1 2124 230 252 GLY HA2 H 4.165 0.020 2 2125 230 252 GLY HA3 H 4.067 0.020 2 2126 230 252 GLY C C 171.841 0.300 1 2127 230 252 GLY CA C 45.432 0.300 1 2128 230 252 GLY N N 108.649 0.300 1 2129 231 253 ALA H H 8.242 0.020 1 2130 231 253 ALA HA H 4.433 0.020 1 2131 231 253 ALA HB H 1.589 0.020 1 2132 231 253 ALA C C 175.669 0.300 1 2133 231 253 ALA CA C 52.869 0.300 1 2134 231 253 ALA CB C 18.714 0.300 1 2135 231 253 ALA N N 122.975 0.300 1 2136 232 254 GLY H H 8.323 0.020 1 2137 232 254 GLY HA2 H 4.008 0.020 2 2138 232 254 GLY HA3 H 3.989 0.020 2 2139 232 254 GLY C C 171.482 0.300 1 2140 232 254 GLY CA C 45.533 0.300 1 2141 232 254 GLY N N 106.306 0.300 1 2142 233 255 ASN H H 8.135 0.020 1 2143 233 255 ASN HA H 4.773 0.020 1 2144 233 255 ASN HB2 H 2.838 0.020 2 2145 233 255 ASN HB3 H 2.709 0.020 2 2146 233 255 ASN HD21 H 7.531 0.020 2 2147 233 255 ASN HD22 H 6.883 0.020 2 2148 233 255 ASN C C 172.224 0.300 1 2149 233 255 ASN CA C 53.782 0.300 1 2150 233 255 ASN CB C 38.726 0.300 1 2151 233 255 ASN N N 117.725 0.300 1 2152 233 255 ASN ND2 N 112.416 0.300 1 2153 234 256 TYR H H 7.995 0.020 1 2154 234 256 TYR HA H 4.595 0.020 1 2155 234 256 TYR HB2 H 3.066 0.020 2 2156 234 256 TYR HB3 H 2.986 0.020 2 2157 234 256 TYR C C 172.519 0.300 1 2158 234 256 TYR CA C 58.192 0.300 1 2159 234 256 TYR CB C 39.071 0.300 1 2160 234 256 TYR N N 119.412 0.300 1 2161 235 257 HIS H H 8.294 0.020 1 2162 235 257 HIS HA H 4.795 0.020 1 2163 235 257 HIS HB2 H 3.319 0.020 2 2164 235 257 HIS HB3 H 3.178 0.020 2 2165 235 257 HIS HD2 H 7.367 0.020 1 2166 235 257 HIS CA C 55.151 0.300 1 2167 235 257 HIS CB C 29.183 0.300 1 2168 235 257 HIS N N 118.754 0.300 1 2169 236 258 LEU H H 8.399 0.020 1 2170 236 258 LEU HA H 4.421 0.020 1 2171 236 258 LEU HB2 H 1.760 0.020 2 2172 236 258 LEU HB3 H 1.717 0.020 2 2173 236 258 LEU HD1 H 1.006 0.020 2 2174 236 258 LEU HD2 H 0.968 0.020 2 2175 236 258 LEU HG H 1.717 0.020 1 2176 236 258 LEU C C 174.205 0.300 1 2177 236 258 LEU CA C 56.484 0.300 1 2178 236 258 LEU CB C 42.225 0.300 1 2179 236 258 LEU CD1 C 22.271 0.300 2 2180 236 258 LEU CD2 C 20.903 0.300 2 2181 236 258 LEU CG C 24.133 0.300 1 2182 236 258 LEU N N 122.153 0.300 1 2183 237 259 VAL H H 7.898 0.020 1 2184 237 259 VAL HA H 4.321 0.020 1 2185 237 259 VAL HB H 2.195 0.020 1 2186 237 259 VAL HG1 H 0.978 0.020 2 2187 237 259 VAL HG2 H 0.980 0.020 2 2188 237 259 VAL C C 172.834 0.300 1 2189 237 259 VAL CA C 61.516 0.300 1 2190 237 259 VAL CB C 32.274 0.300 1 2191 237 259 VAL CG1 C 18.307 0.300 2 2192 237 259 VAL CG2 C 17.428 0.300 2 2193 237 259 VAL N N 116.262 0.300 1 2194 238 260 ASP H H 8.253 0.020 1 2195 238 260 ASP HA H 4.758 0.020 1 2196 238 260 ASP HB2 H 2.904 0.020 2 2197 238 260 ASP HB3 H 2.893 0.020 2 2198 238 260 ASP C C 173.936 0.300 1 2199 238 260 ASP CA C 53.946 0.300 1 2200 238 260 ASP CB C 40.420 0.300 1 2201 238 260 ASP N N 122.340 0.300 1 2202 239 261 GLU H H 8.487 0.020 1 2203 239 261 GLU HA H 4.314 0.020 1 2204 239 261 GLU HB2 H 2.105 0.020 2 2205 239 261 GLU HB3 H 2.059 0.020 2 2206 239 261 GLU HG2 H 2.418 0.020 2 2207 239 261 GLU HG3 H 2.412 0.020 2 2208 239 261 GLU C C 173.606 0.300 1 2209 239 261 GLU CA C 56.616 0.300 1 2210 239 261 GLU CB C 28.894 0.300 1 2211 239 261 GLU N N 119.720 0.300 1 2212 240 262 ASN H H 8.443 0.020 1 2213 240 262 ASN HA H 4.831 0.020 1 2214 240 262 ASN HB2 H 2.918 0.020 2 2215 240 262 ASN HB3 H 2.829 0.020 2 2216 240 262 ASN HD21 H 6.949 0.020 2 2217 240 262 ASN HD22 H 7.730 0.020 2 2218 240 262 ASN C C 171.867 0.300 1 2219 240 262 ASN CA C 53.419 0.300 1 2220 240 262 ASN CB C 38.951 0.300 1 2221 240 262 ASN N N 117.688 0.300 1 2222 240 262 ASN ND2 N 113.463 0.300 1 2223 241 263 PHE H H 8.012 0.020 1 2224 241 263 PHE HA H 4.655 0.020 1 2225 241 263 PHE HB2 H 3.246 0.020 2 2226 241 263 PHE HB3 H 3.171 0.020 2 2227 241 263 PHE C C 171.836 0.300 1 2228 241 263 PHE CA C 57.695 0.300 1 2229 241 263 PHE CB C 38.722 0.300 1 2230 241 263 PHE N N 119.916 0.300 1 2231 242 264 ASP H H 8.200 0.020 1 2232 242 264 ASP HA H 4.995 0.020 1 2233 242 264 ASP HB2 H 2.827 0.020 2 2234 242 264 ASP HB3 H 2.657 0.020 2 2235 242 264 ASP C C 171.084 0.300 1 2236 242 264 ASP CA C 52.050 0.300 1 2237 242 264 ASP CB C 40.444 0.300 1 2238 242 264 ASP N N 123.744 0.300 1 2239 243 265 PRO HA H 4.475 0.020 1 2240 243 265 PRO HB2 H 2.235 0.020 2 2241 243 265 PRO HB3 H 1.973 0.020 2 2242 243 265 PRO HD2 H 3.621 0.020 2 2243 244 266 LEU H H 8.105 0.020 1 2244 244 266 LEU HA H 4.619 0.020 1 2245 244 266 LEU HB2 H 1.741 0.020 2 2246 244 266 LEU HB3 H 1.588 0.020 2 2247 244 266 LEU HD1 H 0.918 0.020 2 2248 244 266 LEU HD2 H 0.918 0.020 2 2249 244 266 LEU HG H 1.557 0.020 1 2250 244 266 LEU CA C 57.646 0.300 1 2251 244 266 LEU N N 121.668 0.300 1 2252 245 267 PRO HA H 4.554 0.020 1 2253 245 267 PRO HB2 H 2.326 0.020 2 2254 245 267 PRO HB3 H 2.326 0.020 2 2255 246 268 ASP H H 8.350 0.020 1 2256 246 268 ASP HA H 4.553 0.020 1 2257 246 268 ASP HB2 H 2.810 0.020 2 2258 246 268 ASP HB3 H 2.760 0.020 2 2259 246 268 ASP C C 174.369 0.300 1 2260 246 268 ASP CA C 55.823 0.300 1 2261 246 268 ASP CB C 40.314 0.300 1 2262 246 268 ASP N N 117.540 0.300 1 2263 247 269 TYR H H 8.068 0.020 1 2264 247 269 TYR HA H 4.598 0.020 1 2265 247 269 TYR HB2 H 3.316 0.020 2 2266 247 269 TYR HB3 H 3.039 0.020 2 2267 247 269 TYR N N 119.465 0.300 1 2268 248 270 TRP H H 7.993 0.020 1 2269 248 270 TRP HA H 4.342 0.020 1 2270 248 270 TRP HB2 H 3.389 0.020 2 2271 248 270 TRP HB3 H 3.382 0.020 2 2272 248 270 TRP HD1 H 7.414 0.020 1 2273 248 270 TRP HE1 H 10.484 0.020 1 2274 248 270 TRP HH2 H 6.731 0.020 1 2275 248 270 TRP HZ2 H 7.547 0.020 1 2276 248 270 TRP C C 173.297 0.300 1 2277 248 270 TRP N N 121.403 0.300 1 2278 248 270 TRP NE1 N 129.569 0.300 1 2279 249 271 LEU H H 7.451 0.020 1 2280 249 271 LEU HA H 4.041 0.020 1 2281 249 271 LEU HB2 H 1.485 0.020 2 2282 249 271 LEU HB3 H 1.318 0.020 2 2283 249 271 LEU HD1 H 0.879 0.020 2 2284 249 271 LEU HD2 H 0.938 0.020 2 2285 249 271 LEU CA C 57.758 0.300 1 2286 249 271 LEU CB C 41.231 0.300 1 2287 249 271 LEU CD1 C 21.711 0.300 2 2288 249 271 LEU CD2 C 21.471 0.300 2 2289 249 271 LEU CG C 23.970 0.300 1 2290 249 271 LEU N N 119.506 0.300 1 2291 250 272 SER H H 7.782 0.020 1 2292 250 272 SER HA H 4.284 0.020 1 2293 250 272 SER HB2 H 4.107 0.020 2 2294 250 272 SER HB3 H 4.074 0.020 2 2295 250 272 SER C C 175.773 0.300 1 2296 250 272 SER CA C 61.098 0.300 1 2297 250 272 SER CB C 62.922 0.300 1 2298 250 272 SER N N 113.588 0.300 1 2299 251 273 LEU H H 7.796 0.020 1 2300 251 273 LEU HA H 4.167 0.020 1 2301 251 273 LEU HB2 H 1.932 0.020 2 2302 251 273 LEU HB3 H 1.742 0.020 2 2303 251 273 LEU HD1 H 0.963 0.020 2 2304 251 273 LEU HD2 H 0.963 0.020 2 2305 251 273 LEU HG H 1.694 0.020 1 2306 251 273 LEU CA C 57.989 0.300 1 2307 251 273 LEU CB C 41.847 0.300 1 2308 251 273 LEU CD1 C 22.149 0.300 2 2309 251 273 LEU CD2 C 20.781 0.300 2 2310 251 273 LEU CG C 24.211 0.300 1 2311 251 273 LEU N N 121.468 0.300 1 2312 252 274 LEU H H 8.076 0.020 1 2313 252 274 LEU HA H 4.120 0.020 1 2314 252 274 LEU HB2 H 1.880 0.020 2 2315 252 274 LEU HB3 H 1.838 0.020 2 2316 252 274 LEU HD1 H 1.053 0.020 2 2317 252 274 LEU HD2 H 0.977 0.020 2 2318 252 274 LEU HG H 1.822 0.020 1 2319 252 274 LEU CA C 57.205 0.300 1 2320 252 274 LEU CB C 41.173 0.300 1 2321 252 274 LEU CD1 C 22.226 0.300 2 2322 252 274 LEU CD2 C 21.673 0.300 2 2323 252 274 LEU CG C 24.134 0.300 1 2324 252 274 LEU N N 119.280 0.300 1 2325 253 275 PHE H H 8.371 0.020 1 2326 253 275 PHE HA H 4.309 0.020 1 2327 253 275 PHE HB2 H 3.364 0.020 2 2328 253 275 PHE HB3 H 3.256 0.020 2 2329 253 275 PHE HD1 H 7.349 0.020 3 2330 253 275 PHE C C 174.806 0.300 1 2331 253 275 PHE CA C 61.378 0.300 1 2332 253 275 PHE CB C 38.729 0.300 1 2333 253 275 PHE N N 117.460 0.300 1 2334 254 276 LYS H H 8.202 0.020 1 2335 254 276 LYS HA H 4.102 0.020 1 2336 254 276 LYS HB2 H 2.107 0.020 2 2337 254 276 LYS HB3 H 2.054 0.020 2 2338 254 276 LYS HD2 H 1.847 0.020 2 2339 254 276 LYS HD3 H 1.816 0.020 2 2340 254 276 LYS HE2 H 3.110 0.020 2 2341 254 276 LYS HE3 H 3.110 0.020 2 2342 254 276 LYS HG2 H 1.602 0.020 2 2343 254 276 LYS HG3 H 1.608 0.020 2 2344 254 276 LYS C C 176.079 0.300 1 2345 254 276 LYS CA C 59.375 0.300 1 2346 254 276 LYS CB C 32.112 0.300 1 2347 254 276 LYS CD C 26.433 0.300 1 2348 254 276 LYS CE C 39.048 0.300 1 2349 254 276 LYS CG C 22.668 0.300 1 2350 254 276 LYS N N 117.567 0.300 1 2351 255 277 LYS H H 7.960 0.020 1 2352 255 277 LYS HA H 4.302 0.020 1 2353 255 277 LYS HB2 H 2.114 0.020 2 2354 255 277 LYS HB3 H 2.098 0.020 2 2355 255 277 LYS HD2 H 1.833 0.020 2 2356 255 277 LYS HD3 H 1.817 0.020 2 2357 255 277 LYS HE2 H 3.114 0.020 2 2358 255 277 LYS HE3 H 3.114 0.020 2 2359 255 277 LYS HG2 H 1.645 0.020 2 2360 255 277 LYS HG3 H 1.640 0.020 2 2361 255 277 LYS C C 175.441 0.300 1 2362 255 277 LYS CA C 57.514 0.300 1 2363 255 277 LYS CB C 32.315 0.300 1 2364 255 277 LYS CD C 25.992 0.300 1 2365 255 277 LYS CE C 38.994 0.300 1 2366 255 277 LYS CG C 21.970 0.300 1 2367 255 277 LYS N N 117.782 0.300 1 2368 256 278 LEU H H 8.013 0.020 1 2369 256 278 LEU HA H 4.309 0.020 1 2370 256 278 LEU HB2 H 1.975 0.020 2 2371 256 278 LEU HB3 H 1.701 0.020 2 2372 256 278 LEU HD1 H 0.985 0.020 2 2373 256 278 LEU HD2 H 0.960 0.020 2 2374 256 278 LEU HG H 1.658 0.020 1 2375 256 278 LEU C C 175.000 0.300 1 2376 256 278 LEU CA C 56.651 0.300 1 2377 256 278 LEU CB C 42.143 0.300 1 2378 256 278 LEU CD1 C 22.207 0.300 2 2379 256 278 LEU CD2 C 20.832 0.300 2 2380 256 278 LEU CG C 24.099 0.300 1 2381 256 278 LEU N N 117.596 0.300 1 2382 257 279 VAL H H 7.878 0.020 1 2383 257 279 VAL HA H 4.241 0.020 1 2384 257 279 VAL HB H 2.104 0.020 1 2385 257 279 VAL HG1 H 0.891 0.020 2 2386 257 279 VAL HG2 H 0.895 0.020 2 2387 257 279 VAL C C 174.282 0.300 1 2388 257 279 VAL CA C 62.553 0.300 1 2389 257 279 VAL CB C 32.177 0.300 1 2390 257 279 VAL CG1 C 18.442 0.300 2 2391 257 279 VAL CG2 C 17.871 0.300 2 2392 257 279 VAL N N 113.504 0.300 1 2393 258 280 GLY H H 7.911 0.020 1 2394 258 280 GLY HA2 H 4.093 0.020 2 2395 258 280 GLY HA3 H 4.143 0.020 2 2396 258 280 GLY C C 171.778 0.300 1 2397 258 280 GLY CA C 45.514 0.300 1 2398 258 280 GLY N N 109.046 0.300 1 2399 259 281 THR H H 8.028 0.020 1 2400 259 281 THR HA H 4.494 0.020 1 2401 259 281 THR HB H 4.241 0.020 1 2402 259 281 THR HG1 H 4.667 0.020 1 2403 259 281 THR HG2 H 1.170 0.020 1 2404 259 281 THR CA C 61.780 0.300 1 2405 259 281 THR CB C 69.192 0.300 1 2406 259 281 THR CG2 C 19.211 0.300 1 2407 259 281 THR N N 113.586 0.300 1 2408 260 282 LYS H H 7.980 0.020 1 2409 260 282 LYS HA H 4.331 0.020 1 2410 260 282 LYS HB2 H 1.978 0.020 2 2411 260 282 LYS HB3 H 1.969 0.020 2 2412 260 282 LYS HD2 H 1.843 0.020 2 2413 260 282 LYS HD3 H 1.838 0.020 2 2414 260 282 LYS HE2 H 3.109 0.020 2 2415 260 282 LYS HE3 H 3.109 0.020 2 2416 260 282 LYS HG2 H 1.540 0.020 2 2417 260 282 LYS HG3 H 1.534 0.020 2 2418 260 282 LYS C C 178.702 0.300 1 2419 260 282 LYS CA C 56.258 0.300 1 2420 260 282 LYS CB C 32.676 0.300 1 2421 260 282 LYS CD C 26.089 0.300 1 2422 260 282 LYS CE C 39.053 0.300 1 2423 260 282 LYS CG C 21.868 0.300 1 2424 260 282 LYS N N 128.579 0.300 1 stop_ save_