data_18877 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C,15N chemical shift assignment of Ca2+_bound CaBP4 ; _BMRB_accession_number 18877 _BMRB_flat_file_name bmr18877.str _Entry_type original _Submission_date 2012-12-05 _Accession_date 2012-12-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ames James B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 621 "13C chemical shifts" 542 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-14 original author . stop_ _Original_release_date 2014-02-14 save_ ############################# # Citation for this entry # ############################# save_chemical_shift_assignment_of_Ca2+_bound_CaBP4 _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (15)N, and (13)C chemical shift assignments of murine calcium-binding protein 4.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23925854 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Saebomi . . 2 Li Congmin . . 3 Ames James B. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _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 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CaBP4 polypeptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CaBP4 polypeptide' $CaBP4 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_CaBP4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CaBP4 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 271 _Mol_residue_sequence ; MATEHNVQLVPGSQKIPKGV VSPRSAAEGPALTRRRSKKE SWHPGSQKASSGDQSSSQGS EASGSSKHPPRTKVGQEEPS SAPARPASHRHSHRHRSDPQ QDAAQRTYGPLLNRMFGKDR ELGPEELEELQAAFEEFDTD QDGYIGYRELGDCMRTLGYM PTEMELLEVSQHVKMRMGGF VDFEEFVELISPKLREETAH MLGVRELRIAFREFDKDRDG RITVAELRQAAPALLGEPLE GTELDEMLREMDLNGDGTID FDEFVMMLSTG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 GLU 5 HIS 6 ASN 7 VAL 8 GLN 9 LEU 10 VAL 11 PRO 12 GLY 13 SER 14 GLN 15 LYS 16 ILE 17 PRO 18 LYS 19 GLY 20 VAL 21 VAL 22 SER 23 PRO 24 ARG 25 SER 26 ALA 27 ALA 28 GLU 29 GLY 30 PRO 31 ALA 32 LEU 33 THR 34 ARG 35 ARG 36 ARG 37 SER 38 LYS 39 LYS 40 GLU 41 SER 42 TRP 43 HIS 44 PRO 45 GLY 46 SER 47 GLN 48 LYS 49 ALA 50 SER 51 SER 52 GLY 53 ASP 54 GLN 55 SER 56 SER 57 SER 58 GLN 59 GLY 60 SER 61 GLU 62 ALA 63 SER 64 GLY 65 SER 66 SER 67 LYS 68 HIS 69 PRO 70 PRO 71 ARG 72 THR 73 LYS 74 VAL 75 GLY 76 GLN 77 GLU 78 GLU 79 PRO 80 SER 81 SER 82 ALA 83 PRO 84 ALA 85 ARG 86 PRO 87 ALA 88 SER 89 HIS 90 ARG 91 HIS 92 SER 93 HIS 94 ARG 95 HIS 96 ARG 97 SER 98 ASP 99 PRO 100 GLN 101 GLN 102 ASP 103 ALA 104 ALA 105 GLN 106 ARG 107 THR 108 TYR 109 GLY 110 PRO 111 LEU 112 LEU 113 ASN 114 ARG 115 MET 116 PHE 117 GLY 118 LYS 119 ASP 120 ARG 121 GLU 122 LEU 123 GLY 124 PRO 125 GLU 126 GLU 127 LEU 128 GLU 129 GLU 130 LEU 131 GLN 132 ALA 133 ALA 134 PHE 135 GLU 136 GLU 137 PHE 138 ASP 139 THR 140 ASP 141 GLN 142 ASP 143 GLY 144 TYR 145 ILE 146 GLY 147 TYR 148 ARG 149 GLU 150 LEU 151 GLY 152 ASP 153 CYS 154 MET 155 ARG 156 THR 157 LEU 158 GLY 159 TYR 160 MET 161 PRO 162 THR 163 GLU 164 MET 165 GLU 166 LEU 167 LEU 168 GLU 169 VAL 170 SER 171 GLN 172 HIS 173 VAL 174 LYS 175 MET 176 ARG 177 MET 178 GLY 179 GLY 180 PHE 181 VAL 182 ASP 183 PHE 184 GLU 185 GLU 186 PHE 187 VAL 188 GLU 189 LEU 190 ILE 191 SER 192 PRO 193 LYS 194 LEU 195 ARG 196 GLU 197 GLU 198 THR 199 ALA 200 HIS 201 MET 202 LEU 203 GLY 204 VAL 205 ARG 206 GLU 207 LEU 208 ARG 209 ILE 210 ALA 211 PHE 212 ARG 213 GLU 214 PHE 215 ASP 216 LYS 217 ASP 218 ARG 219 ASP 220 GLY 221 ARG 222 ILE 223 THR 224 VAL 225 ALA 226 GLU 227 LEU 228 ARG 229 GLN 230 ALA 231 ALA 232 PRO 233 ALA 234 LEU 235 LEU 236 GLY 237 GLU 238 PRO 239 LEU 240 GLU 241 GLY 242 THR 243 GLU 244 LEU 245 ASP 246 GLU 247 MET 248 LEU 249 ARG 250 GLU 251 MET 252 ASP 253 LEU 254 ASN 255 GLY 256 ASP 257 GLY 258 THR 259 ILE 260 ASP 261 PHE 262 ASP 263 GLU 264 PHE 265 VAL 266 MET 267 MET 268 LEU 269 SER 270 THR 271 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M28 "Nmr Structure Of Ca2+ Bound Cabp4 C-domain" 63.10 171 100.00 100.00 9.20e-118 PDB 2M29 "Nmr Structure Of Ca2+ Bound Cabp4 N-domain" 63.10 171 100.00 100.00 9.20e-118 GB AAH49263 "Calcium binding protein 4 [Mus musculus]" 100.00 271 100.00 100.00 0.00e+00 GB AAK83463 "calcium-binding protein CaBP4 [Mus musculus]" 100.00 271 100.00 100.00 0.00e+00 GB EDL33015 "calcium binding protein 4, isoform CRA_a, partial [Mus musculus]" 60.15 165 100.00 100.00 9.59e-113 GB EDL33016 "calcium binding protein 4, isoform CRA_b [Mus musculus]" 100.00 271 100.00 100.00 0.00e+00 REF NP_653115 "calcium-binding protein 4 [Mus musculus]" 100.00 271 100.00 100.00 0.00e+00 REF XP_006531910 "PREDICTED: calcium-binding protein 4 isoform X3 [Mus musculus]" 54.61 183 100.00 100.00 1.65e-99 REF XP_006531911 "PREDICTED: calcium-binding protein 4 isoform X3 [Mus musculus]" 54.61 183 100.00 100.00 1.65e-99 REF XP_006531912 "PREDICTED: calcium-binding protein 4 isoform X3 [Mus musculus]" 54.61 183 100.00 100.00 1.65e-99 REF XP_006544976 "PREDICTED: calcium-binding protein 4 isoform X3 [Mus musculus]" 54.61 183 100.00 100.00 1.65e-99 SP Q8VHC5 "RecName: Full=Calcium-binding protein 4; Short=CaBP4" 100.00 271 100.00 100.00 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 $CaBP4 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $CaBP4 'recombinant technology' . Escherichia coli . pET30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'CaBP4(reside 100-271aa)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CaBP4 0.5 mM '[U-13C; U-15N; U-2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'CaBP4(residue 100-271aa)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CaBP4 0.5 mM [U-15N] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'CaBP4 (resid 100-271aa)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CaBP4 0.5 mM '[U-13C; U-15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'CaBP4 (resid 100-271aa)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CaBP4 0.5 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details 'CaBP4(reside 100-271aa)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CaBP4 0.5 mM '[U-10% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800_MHZ_NMR _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_Trosy_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'Trosy HNCACB' _Sample_label $sample_1 save_ save_Trosy_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'Trosy HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_13C_CT-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C CT-HSQC' _Sample_label $sample_5 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 310 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 310 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 310 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 310 . K stop_ save_ save_sample_conditions_5 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' 'Trosy HNCACB' 'Trosy HN(CO)CACB' '3D HCCH-TOCSY' '2D 1H-1H COSY' '2D 1H-1H NOESY' '13C CT-HSQC' stop_ loop_ _Sample_label $sample_2 $sample_3 $sample_1 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CaBP4 polypeptide' _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 1 101 101 GLN H H 8.389 0.02 1 2 101 101 GLN HA H 4.319 0.02 1 3 101 101 GLN HB2 H 2.126 0.02 2 4 101 101 GLN HB3 H 2.015 0.02 2 5 101 101 GLN C C 175.800 0.3 1 6 101 101 GLN CA C 56.250 0.3 1 7 101 101 GLN CB C 29.450 0.3 1 8 101 101 GLN N N 121.500 0.32 1 9 102 102 ASP H H 8.327 0.02 1 10 102 102 ASP HA H 4.570 0.02 1 11 102 102 ASP HB2 H 2.690 0.02 2 12 102 102 ASP HB3 H 2.700 0.02 2 13 102 102 ASP C C 176.300 0.3 1 14 102 102 ASP CA C 54.750 0.3 1 15 102 102 ASP CB C 41.110 0.3 1 16 102 102 ASP N N 121.200 0.3 1 17 103 103 ALA H H 8.170 0.02 1 18 103 103 ALA HA H 4.230 0.02 1 19 103 103 ALA HB H 1.420 0.02 1 20 103 103 ALA C C 178.000 0.3 1 21 103 103 ALA CA C 53.290 0.3 1 22 103 103 ALA CB C 18.840 0.3 1 23 103 103 ALA N N 123.900 0.3 1 24 104 104 ALA H H 8.229 0.02 1 25 104 104 ALA HA H 4.229 0.02 1 26 104 104 ALA HB H 1.429 0.02 1 27 104 104 ALA C C 178.000 0.3 1 28 104 104 ALA CA C 53.200 0.3 1 29 104 104 ALA CB C 18.650 0.3 1 30 104 104 ALA N N 122.100 0.3 1 31 105 105 GLN H H 8.144 0.02 1 32 105 105 GLN HA H 4.230 0.02 1 33 105 105 GLN HB2 H 2.030 0.02 2 34 105 105 GLN HB3 H 2.120 0.02 2 35 105 105 GLN HG2 H 2.390 0.02 2 36 105 105 GLN HE21 H 6.783 0.02 2 37 105 105 GLN HE22 H 7.464 0.02 2 38 105 105 GLN C C 176.300 0.3 1 39 105 105 GLN CA C 56.330 0.3 1 40 105 105 GLN CB C 28.910 0.3 1 41 105 105 GLN CG C 34.020 0.3 1 42 105 105 GLN N N 118.600 0.3 1 43 105 105 GLN NE2 N 112.300 0.3 1 44 106 106 ARG H H 8.195 0.02 1 45 106 106 ARG HA H 4.299 0.02 1 46 106 106 ARG HB2 H 1.742 0.02 2 47 106 106 ARG HB3 H 1.720 0.02 2 48 106 106 ARG HG2 H 1.539 0.02 2 49 106 106 ARG HG3 H 1.599 0.02 2 50 106 106 ARG C C 176.400 0.3 1 51 106 106 ARG CA C 56.310 0.3 1 52 106 106 ARG CB C 29.220 0.3 1 53 106 106 ARG CG C 27.45 0.3 1 54 106 106 ARG N N 121.500 0.3 1 55 107 107 THR H H 8.233 0.02 1 56 107 107 THR HA H 4.258 0.02 1 57 107 107 THR HB H 4.050 0.02 1 58 107 107 THR HG2 H 1.009 0.02 1 59 107 107 THR CA C 62.61 0.3 1 60 107 107 THR CB C 69.72 0.3 1 61 107 107 THR CG2 C 21.48 0.3 1 62 107 107 THR N N 115.700 0.3 1 63 108 108 TYR H H 8.590 0.02 1 64 108 108 TYR HA H 4.570 0.02 1 65 108 108 TYR HB2 H 3.113 0.02 2 66 108 108 TYR HB3 H 2.892 0.02 2 67 108 108 TYR CA C 58.800 0.3 1 68 108 108 TYR CB C 38.550 0.3 1 69 108 108 TYR N N 120.200 0.3 1 70 109 109 GLY H H 8.365 0.02 1 71 109 109 GLY HA2 H 3.890 0.02 2 72 109 109 GLY HA3 H 4.153 0.02 2 73 109 109 GLY CA C 47.55 0.3 1 74 109 109 GLY N N 109.400 0.3 1 75 110 110 PRO C C 178.600 0.3 1 76 110 110 PRO CA C 64.92 0.3 1 77 110 110 PRO CB C 31.60 0.3 1 78 111 111 LEU H H 7.666 0.02 1 79 111 111 LEU HA H 4.158 0.02 1 80 111 111 LEU HB2 H 1.747 0.02 2 81 111 111 LEU CA C 57.67 0.3 1 82 111 111 LEU CB C 41.50 0.3 1 83 111 111 LEU N N 118.50 0.3 1 84 112 112 LEU H H 8.110 0.02 1 85 112 112 LEU HA H 4.143 0.02 1 86 112 112 LEU C C 178.500 0.3 1 87 112 112 LEU CA C 57.47 0.3 1 88 112 112 LEU CB C 41.19 0.3 1 89 112 112 LEU N N 118.700 0.3 1 90 113 113 ASN H H 8.226 0.02 1 91 113 113 ASN HA H 4.479 0.02 1 92 113 113 ASN HB2 H 2.815 0.02 2 93 113 113 ASN HB3 H 2.833 0.02 2 94 113 113 ASN C C 177.300 0.3 1 95 113 113 ASN CA C 56.02 0.3 1 96 113 113 ASN CB C 38.60 0.3 1 97 113 113 ASN N N 116.400 0.3 1 98 114 114 ARG H H 7.819 0.02 1 99 114 114 ARG C C 177.700 0.3 1 100 114 114 ARG CA C 57.96 0.3 1 101 114 114 ARG CB C 29.90 0.3 1 102 114 114 ARG N N 118.600 0.3 1 103 115 115 MET H H 7.900 0.02 1 104 115 115 MET HA H 4.184 0.02 1 105 115 115 MET C C 176.400 0.3 1 106 115 115 MET CA C 57.670 0.3 1 107 115 115 MET CB C 32.840 0.3 1 108 115 115 MET N N 117.200 0.3 1 109 116 116 PHE H H 7.789 0.02 1 110 116 116 PHE HA H 4.780 0.02 1 111 116 116 PHE HB2 H 2.880 0.02 2 112 116 116 PHE HB3 H 3.370 0.02 2 113 116 116 PHE HD1 H 7.345 0.02 3 114 116 116 PHE HE1 H 7.234 0.02 3 115 116 116 PHE HZ H 7.148 0.02 1 116 116 116 PHE C C 176.000 0.3 1 117 116 116 PHE CA C 57.700 0.3 1 118 116 116 PHE CB C 39.410 0.3 1 119 116 116 PHE N N 115.600 0.3 1 120 117 117 GLY H H 8.093 0.02 1 121 117 117 GLY HA2 H 4.007 0.02 2 122 117 117 GLY HA3 H 4.114 0.02 2 123 117 117 GLY C C 174.500 0.3 1 124 117 117 GLY CA C 45.74 0.3 1 125 117 117 GLY N N 108.400 0.3 1 126 118 118 LYS H H 8.087 0.02 1 127 118 118 LYS HA H 4.287 0.02 1 128 118 118 LYS HB2 H 1.796 0.02 2 129 118 118 LYS HB3 H 1.853 0.02 2 130 118 118 LYS HG2 H 1.445 0.02 2 131 118 118 LYS HD2 H 1.692 0.02 2 132 118 118 LYS HE2 H 3.009 0.02 2 133 118 118 LYS C C 176.200 0.3 1 134 118 118 LYS CA C 56.860 0.3 1 135 118 118 LYS CB C 32.550 0.3 1 136 118 118 LYS CG C 24.610 0.3 1 137 118 118 LYS CD C 29.080 0.3 1 138 118 118 LYS CE C 42.040 0.3 1 139 118 118 LYS N N 120.000 0.3 1 140 119 119 ASP H H 8.344 0.02 1 141 119 119 ASP HA H 4.622 0.02 1 142 119 119 ASP HB2 H 2.613 0.02 2 143 119 119 ASP HB3 H 2.710 0.02 2 144 119 119 ASP C C 175.800 0.3 1 145 119 119 ASP CA C 54.460 0.3 1 146 119 119 ASP CB C 40.830 0.3 1 147 119 119 ASP N N 119.800 0.3 1 148 120 120 ARG H H 7.894 0.02 1 149 120 120 ARG HA H 4.330 0.02 1 150 120 120 ARG HB2 H 1.794 0.02 2 151 120 120 ARG C C 175.700 0.3 1 152 120 120 ARG CA C 56.000 0.3 1 153 120 120 ARG CB C 30.460 0.3 1 154 120 120 ARG N N 120.200 0.3 1 155 121 121 GLU H H 8.364 0.02 1 156 121 121 GLU HA H 4.337 0.02 1 157 121 121 GLU HB2 H 1.895 0.02 2 158 121 121 GLU HB3 H 2.017 0.02 2 159 121 121 GLU C C 176.300 0.3 1 160 121 121 GLU CA C 55.900 0.3 1 161 121 121 GLU CB C 30.310 0.3 1 162 121 121 GLU N N 122.300 0.3 1 163 122 122 LEU H H 8.410 0.02 1 164 122 122 LEU HA H 4.332 0.02 1 165 122 122 LEU HB2 H 1.456 0.02 2 166 122 122 LEU HB3 H 1.680 0.02 2 167 122 122 LEU HD1 H 0.805 0.02 1 168 122 122 LEU HD2 H 0.774 0.02 1 169 122 122 LEU C C 177.300 0.3 1 170 122 122 LEU CA C 55.490 0.3 1 171 122 122 LEU CB C 41.620 0.3 1 172 122 122 LEU CD1 C 25.74 0.3 1 173 122 122 LEU CD2 C 23.97 0.3 1 174 122 122 LEU N N 123.800 0.3 1 175 123 123 GLY H H 8.894 0.02 1 176 123 123 GLY HA2 H 4.000 0.02 2 177 123 123 GLY HA3 H 4.472 0.02 2 178 123 123 GLY CA C 44.32 0.3 1 179 123 123 GLY N N 111.600 0.3 1 180 124 124 PRO HA H 4.280 0.02 1 181 124 124 PRO HB2 H 2.029 0.02 2 182 124 124 PRO HB3 H 2.399 0.02 2 183 124 124 PRO C C 179.400 0.3 1 184 124 124 PRO CA C 65.62 0.3 1 185 124 124 PRO CB C 31.46 0.3 1 186 125 125 GLU H H 9.069 0.02 1 187 125 125 GLU HA H 4.194 0.02 1 188 125 125 GLU C C 179.200 0.3 1 189 125 125 GLU CA C 59.58 0.3 1 190 125 125 GLU CB C 28.20 0.3 1 191 125 125 GLU N N 117.900 0.3 1 192 126 126 GLU H H 7.833 0.02 1 193 126 126 GLU HA H 4.223 0.02 1 194 126 126 GLU HB2 H 2.062 0.02 2 195 126 126 GLU HB3 H 2.326 0.02 2 196 126 126 GLU HG2 H 2.383 0.02 2 197 126 126 GLU C C 179.200 0.3 1 198 126 126 GLU CA C 59.32 0.3 1 199 126 126 GLU CB C 29.76 0.3 1 200 126 126 GLU CG C 37.67 0.3 1 201 126 126 GLU N N 120.700 0.3 1 202 127 127 LEU H H 8.300 0.02 1 203 127 127 LEU HA H 4.172 0.02 1 204 127 127 LEU HB2 H 1.814 0.02 2 205 127 127 LEU HB3 H 1.724 0.02 2 206 127 127 LEU HD1 H 0.940 0.02 1 207 127 127 LEU HD2 H 0.973 0.02 1 208 127 127 LEU C C 179.200 0.3 1 209 127 127 LEU CA C 58.39 0.3 1 210 127 127 LEU CB C 41.19 0.3 1 211 127 127 LEU CD1 C 24.88 0.3 1 212 127 127 LEU CD2 C 24.40 0.3 1 213 127 127 LEU N N 119.900 0.3 1 214 128 128 GLU H H 8.085 0.02 1 215 128 128 GLU HA H 4.171 0.02 1 216 128 128 GLU HB2 H 2.195 0.02 2 217 128 128 GLU HB3 H 2.224 0.02 2 218 128 128 GLU HG2 H 2.526 0.02 2 219 128 128 GLU C C 179.400 0.3 1 220 128 128 GLU CA C 59.690 0.3 1 221 128 128 GLU CB C 29.010 0.3 1 222 128 128 GLU CG C 36.430 0.3 1 223 128 128 GLU N N 119.200 0.3 1 224 129 129 GLU H H 7.712 0.02 1 225 129 129 GLU HA H 4.190 0.02 1 226 129 129 GLU HB2 H 2.270 0.02 2 227 129 129 GLU HG2 H 2.526 0.02 2 228 129 129 GLU C C 179.700 0.3 1 229 129 129 GLU CA C 59.45 0.3 1 230 129 129 GLU CB C 29.14 0.3 1 231 129 129 GLU CG C 36.35 0.3 1 232 129 129 GLU N N 120.200 0.3 1 233 130 130 LEU H H 8.161 0.02 1 234 130 130 LEU HA H 4.367 0.02 1 235 130 130 LEU HB2 H 2.140 0.02 2 236 130 130 LEU HB3 H 2.338 0.02 2 237 130 130 LEU C C 178.600 0.3 1 238 130 130 LEU CA C 58.500 0.3 1 239 130 130 LEU CB C 41.340 0.3 1 240 130 130 LEU N N 120.300 0.3 1 241 131 131 GLN H H 8.747 0.02 1 242 131 131 GLN HA H 3.711 0.02 1 243 131 131 GLN HB2 H 2.009 0.02 2 244 131 131 GLN HB3 H 1.807 0.02 2 245 131 131 GLN HG2 H 1.880 0.02 2 246 131 131 GLN HG3 H 1.797 0.02 2 247 131 131 GLN HE21 H 6.364 0.02 2 248 131 131 GLN HE22 H 7.039 0.02 2 249 131 131 GLN C C 177.800 0.3 1 250 131 131 GLN CA C 59.300 0.3 1 251 131 131 GLN CB C 27.660 0.3 1 252 131 131 GLN CG C 33.520 0.3 1 253 131 131 GLN N N 120.200 0.3 1 254 131 131 GLN NE2 N 110.400 0.3 1 255 132 132 ALA H H 7.991 0.02 1 256 132 132 ALA HA H 4.168 0.02 1 257 132 132 ALA HB H 1.555 0.02 1 258 132 132 ALA C C 180.600 0.3 1 259 132 132 ALA CA C 54.940 0.3 1 260 132 132 ALA CB C 17.610 0.3 1 261 132 132 ALA N N 120.600 0.3 1 262 133 133 ALA H H 7.766 0.02 1 263 133 133 ALA HA H 4.340 0.02 1 264 133 133 ALA HB H 1.690 0.02 1 265 133 133 ALA C C 178.500 0.3 1 266 133 133 ALA CA C 55.05 0.3 1 267 133 133 ALA CB C 18.14 0.3 1 268 133 133 ALA N N 120.900 0.3 1 269 134 134 PHE H H 8.373 0.02 1 270 134 134 PHE HA H 3.690 0.02 1 271 134 134 PHE HB2 H 2.890 0.02 2 272 134 134 PHE HB3 H 3.270 0.02 2 273 134 134 PHE HD1 H 6.584 0.02 3 274 134 134 PHE HE1 H 6.961 0.02 3 275 134 134 PHE HZ H 7.417 0.02 1 276 134 134 PHE C C 177.400 0.3 1 277 134 134 PHE CA C 62.15 0.3 1 278 134 134 PHE CB C 39.88 0.3 1 279 134 134 PHE N N 119.200 0.3 1 280 135 135 GLU H H 8.527 0.02 1 281 135 135 GLU HA H 3.976 0.02 1 282 135 135 GLU HB2 H 2.126 0.02 2 283 135 135 GLU C C 179.100 0.3 1 284 135 135 GLU CA C 59.30 0.3 1 285 135 135 GLU CB C 29.10 0.3 1 286 135 135 GLU N N 115.400 0.3 1 287 136 136 GLU H H 7.631 0.02 1 288 136 136 GLU HA H 3.892 0.02 1 289 136 136 GLU HB2 H 2.093 0.02 2 290 136 136 GLU HG2 H 2.085 0.02 2 291 136 136 GLU HG3 H 1.865 0.02 2 292 136 136 GLU C C 177.700 0.3 1 293 136 136 GLU CA C 58.770 0.3 1 294 136 136 GLU CB C 28.770 0.3 1 295 136 136 GLU CG C 35.74 0.3 1 296 136 136 GLU N N 118.200 0.3 1 297 137 137 PHE H H 7.420 0.02 1 298 137 137 PHE HA H 4.290 0.02 1 299 137 137 PHE HB2 H 2.660 0.02 2 300 137 137 PHE HB3 H 3.040 0.02 2 301 137 137 PHE HD1 H 7.552 0.02 3 302 137 137 PHE HE1 H 7.377 0.02 3 303 137 137 PHE HZ H 7.204 0.02 1 304 137 137 PHE C C 175.800 0.3 1 305 137 137 PHE CA C 59.81 0.3 1 306 137 137 PHE CB C 39.34 0.3 1 307 137 137 PHE N N 114.700 0.3 1 308 138 138 ASP H H 7.735 0.02 1 309 138 138 ASP HA H 5.000 0.02 1 310 138 138 ASP HB2 H 2.724 0.02 2 311 138 138 ASP HB3 H 1.907 0.02 2 312 138 138 ASP C C 178.50 0.3 1 313 138 138 ASP CA C 52.52 0.3 1 314 138 138 ASP CB C 38.34 0.3 1 315 138 138 ASP N N 122.30 0.3 1 316 139 139 THR H H 7.860 0.02 1 317 139 139 THR HA H 3.990 0.02 1 318 139 139 THR HB H 4.285 0.02 1 319 139 139 THR HG2 H 1.284 0.02 1 320 139 139 THR C C 175.600 0.3 1 321 139 139 THR CA C 65.16 0.3 1 322 139 139 THR CB C 68.54 0.3 1 323 139 139 THR CG2 C 22.32 0.3 1 324 139 139 THR N N 114.900 0.3 1 325 140 140 ASP H H 8.193 0.02 1 326 140 140 ASP HA H 4.603 0.02 1 327 140 140 ASP HB2 H 3.010 0.02 2 328 140 140 ASP C C 175.300 0.3 1 329 140 140 ASP CA C 52.990 0.3 1 330 140 140 ASP CB C 39.100 0.3 1 331 140 140 ASP N N 116.900 0.3 1 332 141 141 GLN H H 7.733 0.02 1 333 141 141 GLN HA H 3.949 0.02 1 334 141 141 GLN HB2 H 2.170 0.02 2 335 141 141 GLN HB3 H 2.374 0.02 2 336 141 141 GLN HG2 H 2.250 0.02 2 337 141 141 GLN HG3 H 2.340 0.02 2 338 141 141 GLN HE21 H 7.547 0.02 2 339 141 141 GLN HE22 H 6.718 0.02 2 340 141 141 GLN C C 175.200 0.3 1 341 141 141 GLN CA C 57.250 0.3 1 342 141 141 GLN CB C 26.140 0.3 1 343 141 141 GLN CG C 34.53 0.3 1 344 141 141 GLN N N 114.600 0.3 1 345 141 141 GLN NE2 N 113.000 0.3 1 346 142 142 ASP H H 8.364 0.02 1 347 142 142 ASP HA H 4.762 0.02 1 348 142 142 ASP HB2 H 3.124 0.02 2 349 142 142 ASP HB3 H 2.552 0.02 2 350 142 142 ASP C C 177.200 0.3 1 351 142 142 ASP CA C 53.33 0.3 1 352 142 142 ASP CB C 41.00 0.3 1 353 142 142 ASP N N 118.300 0.3 1 354 143 143 GLY H H 10.31 0.02 1 355 143 143 GLY HA2 H 3.581 0.02 2 356 143 143 GLY HA3 H 4.158 0.02 2 357 143 143 GLY C C 173.30 0.3 1 358 143 143 GLY CA C 45.04 0.3 1 359 143 143 GLY N N 112.10 0.3 1 360 144 144 TYR H H 7.987 0.02 1 361 144 144 TYR HA H 5.690 0.02 1 362 144 144 TYR HB2 H 2.842 0.02 2 363 144 144 TYR HD1 H 6.840 0.02 3 364 144 144 TYR HE1 H 6.929 0.02 3 365 144 144 TYR C C 176.60 0.3 1 366 144 144 TYR CA C 56.76 0.3 1 367 144 144 TYR CB C 42.22 0.3 1 368 144 144 TYR N N 116.20 0.3 1 369 145 145 ILE H H 9.430 0.02 1 370 145 145 ILE HA H 4.913 0.02 1 371 145 145 ILE HB H 1.834 0.02 1 372 145 145 ILE HG12 H 0.933 0.02 2 373 145 145 ILE HG13 H 1.235 0.02 2 374 145 145 ILE HG2 H 0.383 0.02 1 375 145 145 ILE HD1 H 0.363 0.02 1 376 145 145 ILE C C 175.10 0.3 1 377 145 145 ILE CA C 60.20 0.3 1 378 145 145 ILE CB C 40.42 0.3 1 379 145 145 ILE CG1 C 25.65 0.3 1 380 145 145 ILE CG2 C 16.61 0.3 1 381 145 145 ILE CD1 C 13.62 0.3 1 382 145 145 ILE N N 119.00 0.3 1 383 146 146 GLY H H 8.643 0.02 1 384 146 146 GLY C C 175.200 0.3 1 385 146 146 GLY CA C 44.58 0.3 1 386 146 146 GLY N N 109.90 0.3 1 387 147 147 TYR H H 7.689 0.02 1 388 147 147 TYR HA H 4.128 0.02 1 389 147 147 TYR HB2 H 2.753 0.02 2 390 147 147 TYR HB3 H 3.168 0.02 2 391 147 147 TYR HD1 H 7.083 0.02 3 392 147 147 TYR HE1 H 6.843 0.02 3 393 147 147 TYR C C 177.200 0.3 1 394 147 147 TYR CA C 60.500 0.3 1 395 147 147 TYR CB C 37.130 0.3 1 396 147 147 TYR N N 116.900 0.3 1 397 148 148 ARG H H 8.048 0.02 1 398 148 148 ARG HA H 3.944 0.02 1 399 148 148 ARG C C 173.700 0.3 1 400 148 148 ARG CA C 58.80 0.3 1 401 148 148 ARG CB C 28.90 0.3 1 402 148 148 ARG N N 121.200 0.3 1 403 149 149 GLU H H 8.062 0.02 1 404 149 149 GLU HA H 4.317 0.02 1 405 149 149 GLU HG2 H 2.395 0.02 2 406 149 149 GLU C C 177.100 0.3 1 407 149 149 GLU CA C 58.50 0.3 1 408 149 149 GLU CB C 29.44 0.3 1 409 149 149 GLU CG C 37.57 0.3 1 410 149 149 GLU N N 118.500 0.3 1 411 150 150 LEU H H 7.716 0.02 1 412 150 150 LEU HA H 3.780 0.02 1 413 150 150 LEU HB2 H 1.706 0.02 2 414 150 150 LEU HD2 H 0.943 0.02 1 415 150 150 LEU CA C 58.55 0.3 1 416 150 150 LEU CB C 41.43 0.3 1 417 150 150 LEU CD2 C 25.60 0.3 1 418 150 150 LEU N N 119.300 0.3 1 419 151 151 GLY H H 8.231 0.02 1 420 151 151 GLY HA2 H 3.620 0.02 2 421 151 151 GLY HA3 H 3.893 0.02 2 422 151 151 GLY C C 175.40 0.3 1 423 151 151 GLY CA C 47.93 0.3 1 424 151 151 GLY N N 106.30 0.3 1 425 152 152 ASP H H 7.754 0.02 1 426 152 152 ASP HA H 4.384 0.02 1 427 152 152 ASP HB2 H 2.570 0.02 2 428 152 152 ASP C C 178.300 0.3 1 429 152 152 ASP CA C 57.43 0.3 1 430 152 152 ASP CB C 40.19 0.3 1 431 152 152 ASP N N 121.70 0.3 1 432 153 153 CYS H H 7.962 0.02 1 433 153 153 CYS HA H 3.374 0.02 1 434 153 153 CYS HB2 H 2.226 0.02 2 435 153 153 CYS HB3 H 2.599 0.02 2 436 153 153 CYS C C 176.800 0.3 1 437 153 153 CYS CA C 62.81 0.3 1 438 153 153 CYS CB C 26.22 0.3 1 439 153 153 CYS N N 121.800 0.3 1 440 154 154 MET H H 8.409 0.02 1 441 154 154 MET HA H 3.990 0.02 1 442 154 154 MET HB2 H 2.340 0.02 2 443 154 154 MET C C 178.100 0.3 1 444 154 154 MET CA C 60.52 0.3 1 445 154 154 MET CB C 32.28 0.3 1 446 154 154 MET N N 116.800 0.3 1 447 155 155 ARG H H 8.109 0.02 1 448 155 155 ARG HA H 4.384 0.02 1 449 155 155 ARG C C 180.700 0.3 1 450 155 155 ARG CA C 59.59 0.3 1 451 155 155 ARG CB C 29.70 0.3 1 452 155 155 ARG N N 118.200 0.3 1 453 156 156 THR H H 8.056 0.02 1 454 156 156 THR HA H 4.181 0.02 1 455 156 156 THR HB H 4.533 0.02 1 456 156 156 THR HG2 H 1.550 0.02 1 457 156 156 THR C C 175.600 0.3 1 458 156 156 THR CA C 66.17 0.3 1 459 156 156 THR CB C 69.10 0.3 1 460 156 156 THR CG2 C 21.76 0.3 1 461 156 156 THR N N 116.600 0.3 1 462 157 157 LEU H H 7.533 0.02 1 463 157 157 LEU HA H 4.393 0.02 1 464 157 157 LEU HB2 H 1.750 0.02 2 465 157 157 LEU HB3 H 1.984 0.02 2 466 157 157 LEU HD1 H 0.017 0.02 1 467 157 157 LEU HD2 H 1.055 0.02 1 468 157 157 LEU C C 176.600 0.3 1 469 157 157 LEU CA C 55.49 0.3 1 470 157 157 LEU CB C 42.25 0.3 1 471 157 157 LEU CD1 C 26.74 0.3 1 472 157 157 LEU CD2 C 23.52 0.3 1 473 157 157 LEU N N 120.200 0.3 1 474 158 158 GLY H H 7.794 0.02 1 475 158 158 GLY HA2 H 3.690 0.02 2 476 158 158 GLY HA3 H 4.186 0.02 2 477 158 158 GLY C C 173.800 0.3 1 478 158 158 GLY CA C 45.33 0.3 1 479 158 158 GLY N N 105.500 0.3 1 480 159 159 TYR H H 7.759 0.02 1 481 159 159 TYR HA H 4.640 0.02 1 482 159 159 TYR HB2 H 2.668 0.02 2 483 159 159 TYR HB3 H 2.893 0.02 2 484 159 159 TYR C C 120.70 0.3 1 485 159 159 TYR CA C 57.32 0.3 1 486 159 159 TYR CB C 39.08 0.3 1 487 159 159 TYR N N 120.700 0.3 1 488 161 161 PRO C C 177.500 0.3 1 489 161 161 PRO CA C 62.62 0.3 1 490 161 161 PRO CB C 31.52 0.3 1 491 162 162 THR H H 8.474 0.02 1 492 162 162 THR HA H 4.460 0.02 1 493 162 162 THR HB H 4.670 0.02 1 494 162 162 THR HG2 H 1.374 0.02 1 495 162 162 THR C C 175.200 0.3 1 496 162 162 THR CA C 61.18 0.3 1 497 162 162 THR CB C 70.83 0.3 1 498 162 162 THR CG2 C 22.00 0.3 1 499 162 162 THR N N 112.100 0.3 1 500 163 163 GLU H H 8.820 0.02 1 501 163 163 GLU C C 179.200 0.3 1 502 163 163 GLU CA C 59.78 0.3 1 503 163 163 GLU CB C 29.00 0.3 1 504 163 163 GLU N N 120.900 0.3 1 505 164 164 MET H H 8.347 0.02 1 506 164 164 MET HA H 4.300 0.02 1 507 164 164 MET HB2 H 2.082 0.02 2 508 164 164 MET CA C 58.27 0.3 1 509 164 164 MET CB C 31.65 0.3 1 510 164 164 MET N N 117.300 0.3 1 511 166 166 LEU H H 8.145 0.02 1 512 166 166 LEU HA H 4.120 0.02 1 513 166 166 LEU HB2 H 1.745 0.02 2 514 166 166 LEU HD1 H 0.912 0.02 2 515 166 166 LEU HD2 H 0.943 0.02 2 516 166 166 LEU C C 179.500 0.3 1 517 166 166 LEU CA C 57.46 0.3 1 518 166 166 LEU CB C 40.97 0.3 1 519 166 166 LEU CD1 C 24.47 0.3 1 520 166 166 LEU CD2 C 24.78 0.3 1 521 166 166 LEU N N 119.300 0.3 1 522 167 167 LEU H H 8.096 0.02 1 523 167 167 LEU HA H 4.144 0.02 1 524 167 167 LEU HB2 H 1.757 0.02 2 525 167 167 LEU HB3 H 1.858 0.02 2 526 167 167 LEU HD1 H 0.929 0.02 1 527 167 167 LEU HD2 H 0.905 0.02 1 528 167 167 LEU C C 179.100 0.3 1 529 167 167 LEU CA C 57.99 0.3 1 530 167 167 LEU CB C 41.08 0.3 1 531 167 167 LEU CD1 C 25.00 0.3 1 532 167 167 LEU CD2 C 24.12 0.3 1 533 167 167 LEU N N 122.100 0.3 1 534 168 168 GLU H H 7.936 0.02 1 535 168 168 GLU HA H 4.074 0.02 1 536 168 168 GLU HG2 H 2.259 0.02 2 537 168 168 GLU HG3 H 2.420 0.02 2 538 168 168 GLU C C 179.500 0.3 1 539 168 168 GLU CA C 59.50 0.3 1 540 168 168 GLU CB C 29.21 0.3 1 541 168 168 GLU CG C 36.55 0.3 1 542 168 168 GLU N N 119.300 0.3 1 543 169 169 VAL H H 8.170 0.02 1 544 169 169 VAL HA H 3.940 0.02 1 545 169 169 VAL HB H 2.231 0.02 1 546 169 169 VAL HG1 H 1.036 0.02 1 547 169 169 VAL HG2 H 1.110 0.02 1 548 169 169 VAL C C 177.500 0.3 1 549 169 169 VAL CA C 65.76 0.3 1 550 169 169 VAL CB C 31.37 0.3 1 551 169 169 VAL CG1 C 21.89 0.3 1 552 169 169 VAL CG2 C 22.88 0.3 1 553 169 169 VAL N N 118.900 0.3 1 554 170 170 SER H H 8.314 0.02 1 555 170 170 SER C C 176.000 0.3 1 556 170 170 SER CA C 62.48 0.3 1 557 170 170 SER N N 116.100 0.3 1 558 171 171 GLN H H 8.143 0.02 1 559 171 171 GLN C C 177.600 0.3 1 560 171 171 GLN CA C 58.53 0.3 1 561 171 171 GLN CB C 28.19 0.3 1 562 171 171 GLN N N 120.300 0.3 1 563 172 172 HIS H H 7.955 0.02 1 564 172 172 HIS C C 177.600 0.3 1 565 172 172 HIS CA C 59.86 0.3 1 566 172 172 HIS CB C 30.77 0.3 1 567 172 172 HIS N N 120.000 0.3 1 568 173 173 VAL H H 8.261 0.02 1 569 173 173 VAL HA H 3.585 0.02 1 570 173 173 VAL HB H 2.139 0.02 1 571 173 173 VAL HG1 H 0.831 0.02 1 572 173 173 VAL HG2 H 1.150 0.02 1 573 173 173 VAL CA C 65.62 0.3 1 574 173 173 VAL CB C 31.15 0.3 1 575 173 173 VAL CG1 C 22.22 0.3 1 576 173 173 VAL CG2 C 23.31 0.3 1 577 173 173 VAL N N 118.700 0.3 1 578 174 174 LYS H H 8.274 0.02 1 579 174 174 LYS CA C 59.88 0.3 1 580 174 174 LYS CB C 32.41 0.3 1 581 174 174 LYS N N 120.300 0.3 1 582 175 175 MET H H 8.275 0.02 1 583 175 175 MET HA H 4.400 0.02 1 584 175 175 MET HB2 H 2.121 0.02 2 585 175 175 MET CA C 56.93 0.3 1 586 175 175 MET CB C 30.10 0.3 1 587 175 175 MET N N 114.600 0.3 1 588 176 176 ARG H H 8.378 0.02 1 589 176 176 ARG CA C 56.50 0.3 1 590 176 176 ARG CB C 30.10 0.3 1 591 176 176 ARG N N 116.900 0.3 1 592 179 179 GLY H H 8.120 0.02 1 593 179 179 GLY HA2 H 3.272 0.02 2 594 179 179 GLY C C 172.300 0.3 1 595 179 179 GLY CA C 45.57 0.3 1 596 179 179 GLY N N 105.500 0.3 1 597 180 180 PHE H H 7.383 0.02 1 598 180 180 PHE HA H 5.340 0.02 1 599 180 180 PHE HB2 H 2.705 0.02 2 600 180 180 PHE HB3 H 2.951 0.02 2 601 180 180 PHE HD1 H 7.005 0.02 3 602 180 180 PHE HE1 H 7.303 0.02 3 603 180 180 PHE HZ H 6.838 0.02 1 604 180 180 PHE C C 174.100 0.3 1 605 180 180 PHE CA C 56.94 0.3 1 606 180 180 PHE CB C 43.09 0.3 1 607 180 180 PHE N N 118.000 0.3 1 608 181 181 VAL H H 9.270 0.02 1 609 181 181 VAL HA H 5.238 0.02 1 610 181 181 VAL HB H 2.580 0.02 1 611 181 181 VAL HG1 H 1.168 0.02 1 612 181 181 VAL HG2 H 1.108 0.02 1 613 181 181 VAL C C 175.500 0.3 1 614 181 181 VAL CA C 60.09 0.3 1 615 181 181 VAL CB C 34.45 0.3 1 616 181 181 VAL CG1 C 23.54 0.3 1 617 181 181 VAL CG2 C 21.10 0.3 1 618 181 181 VAL N N 115.400 0.3 1 619 182 182 ASP H H 8.983 0.02 1 620 182 182 ASP HA H 5.490 0.02 1 621 182 182 ASP HB2 H 2.563 0.02 2 622 182 182 ASP HB3 H 3.042 0.02 2 623 182 182 ASP C C 176.300 0.3 1 624 182 182 ASP CA C 51.97 0.3 1 625 182 182 ASP CB C 41.04 0.3 1 626 182 182 ASP N N 124.600 0.3 1 627 183 183 PHE H H 8.432 0.02 1 628 183 183 PHE HA H 3.390 0.02 1 629 183 183 PHE HB2 H 2.183 0.02 2 630 183 183 PHE HB3 H 2.467 0.02 2 631 183 183 PHE HD1 H 6.687 0.02 3 632 183 183 PHE HE1 H 7.091 0.02 3 633 183 183 PHE HZ H 7.311 0.02 1 634 183 183 PHE C C 176.300 0.3 1 635 183 183 PHE CA C 62.09 0.3 1 636 183 183 PHE CB C 38.28 0.3 1 637 183 183 PHE N N 118.500 0.3 1 638 184 184 GLU H H 7.871 0.02 1 639 184 184 GLU HA H 3.580 0.02 1 640 184 184 GLU HB2 H 2.015 0.02 2 641 184 184 GLU HB3 H 2.124 0.02 2 642 184 184 GLU HG2 H 2.298 0.02 2 643 184 184 GLU HG3 H 2.339 0.02 2 644 184 184 GLU C C 180.200 0.3 1 645 184 184 GLU CA C 60.15 0.3 1 646 184 184 GLU CB C 28.63 0.3 1 647 184 184 GLU CG C 37.14 0.3 1 648 184 184 GLU N N 117.700 0.3 1 649 185 185 GLU H H 8.646 0.02 1 650 185 185 GLU HA H 4.024 0.02 1 651 185 185 GLU HB2 H 2.063 0.02 2 652 185 185 GLU HG2 H 2.340 0.02 2 653 185 185 GLU HG3 H 2.730 0.02 2 654 185 185 GLU C C 178.700 0.3 1 655 185 185 GLU CA C 58.85 0.3 1 656 185 185 GLU CB C 29.50 0.3 1 657 185 185 GLU CG C 36.93 0.3 1 658 185 185 GLU N N 120.700 0.3 1 659 186 186 PHE H H 8.765 0.02 1 660 186 186 PHE HA H 4.080 0.02 1 661 186 186 PHE HB2 H 3.256 0.02 2 662 186 186 PHE HB3 H 3.493 0.02 2 663 186 186 PHE HD1 H 7.107 0.02 3 664 186 186 PHE HE1 H 7.323 0.02 3 665 186 186 PHE HZ H 7.168 0.02 1 666 186 186 PHE C C 176.300 0.3 1 667 186 186 PHE CA C 61.24 0.3 1 668 186 186 PHE CB C 39.05 0.3 1 669 186 186 PHE N N 121.700 0.3 1 670 187 187 VAL H H 8.198 0.02 1 671 187 187 VAL HA H 2.970 0.02 1 672 187 187 VAL HB H 1.780 0.02 1 673 187 187 VAL HG1 H 0.650 0.02 1 674 187 187 VAL HG2 H 0.308 0.02 1 675 187 187 VAL C C 178.700 0.3 1 676 187 187 VAL CA C 66.97 0.3 1 677 187 187 VAL CB C 30.84 0.3 1 678 187 187 VAL CG1 C 21.65 0.3 1 679 187 187 VAL CG2 C 23.90 0.3 1 680 187 187 VAL N N 118.400 0.3 1 681 188 188 GLU H H 7.561 0.02 1 682 188 188 GLU HA H 3.881 0.02 1 683 188 188 GLU HB2 H 2.105 0.02 2 684 188 188 GLU HG2 H 2.220 0.02 2 685 188 188 GLU HG3 H 2.360 0.02 2 686 188 188 GLU C C 178.300 0.3 1 687 188 188 GLU CA C 59.15 0.3 1 688 188 188 GLU CB C 28.99 0.3 1 689 188 188 GLU CG C 36.03 0.3 1 690 188 188 GLU N N 119.700 0.3 1 691 189 189 LEU H H 7.795 0.02 1 692 189 189 LEU HA H 4.049 0.02 1 693 189 189 LEU HB2 H 1.824 0.02 2 694 189 189 LEU HB3 H 1.385 0.02 2 695 189 189 LEU HD1 H 0.853 0.02 1 696 189 189 LEU HD2 H 0.810 0.02 1 697 189 189 LEU C C 178.300 0.3 1 698 189 189 LEU CA C 57.10 0.3 1 699 189 189 LEU CB C 42.36 0.3 1 700 189 189 LEU CD1 C 25.94 0.3 1 701 189 189 LEU CD2 C 24.28 0.3 1 702 189 189 LEU N N 117.400 0.3 1 703 190 190 ILE H H 7.724 0.02 1 704 190 190 ILE HA H 3.980 0.02 1 705 190 190 ILE HB H 1.383 0.02 1 706 190 190 ILE HG12 H 0.961 0.02 2 707 190 190 ILE HG13 H 0.905 0.02 2 708 190 190 ILE HG2 H 0.495 0.02 1 709 190 190 ILE HD1 H 0.427 0.02 1 710 190 190 ILE C C 176.500 0.3 1 711 190 190 ILE CA C 60.82 0.3 1 712 190 190 ILE CB C 38.00 0.3 1 713 190 190 ILE CG1 C 27.86 0.3 1 714 190 190 ILE CG2 C 18.22 0.3 1 715 190 190 ILE CD1 C 13.29 0.3 1 716 190 190 ILE N N 114.200 0.3 1 717 191 191 SER H H 8.067 0.02 1 718 191 191 SER CA C 60.81 0.3 1 719 191 191 SER N N 117.700 0.3 1 720 196 196 GLU H H 8.015 0.02 1 721 196 196 GLU C C 177.200 0.3 1 722 196 196 GLU CA C 57.65 0.3 1 723 196 196 GLU CB C 29.90 0.3 1 724 196 196 GLU N N 120.200 0.3 1 725 197 197 GLU H H 8.356 0.02 1 726 197 197 GLU HA H 4.320 0.02 1 727 197 197 GLU C C 177.100 0.3 1 728 197 197 GLU CA C 57.49 0.3 1 729 197 197 GLU CB C 29.77 0.3 1 730 197 197 GLU N N 120.300 0.3 1 731 198 198 THR H H 7.933 0.02 1 732 198 198 THR HA H 4.350 0.02 1 733 198 198 THR HB H 4.250 0.02 1 734 198 198 THR HG2 H 1.200 0.02 1 735 198 198 THR C C 174.600 0.3 1 736 198 198 THR CA C 62.19 0.3 1 737 198 198 THR CB C 69.71 0.3 1 738 198 198 THR CG2 C 21.67 0.3 1 739 198 198 THR N N 112.800 0.3 1 740 199 199 ALA H H 8.098 0.02 1 741 199 199 ALA HA H 4.237 0.02 1 742 199 199 ALA HB H 1.385 0.02 1 743 199 199 ALA C C 177.500 0.3 1 744 199 199 ALA CA C 53.30 0.3 1 745 199 199 ALA CB C 19.20 0.3 1 746 199 199 ALA N N 124.800 0.3 1 747 201 201 MET H H 8.036 0.02 1 748 201 201 MET HA H 4.418 0.02 1 749 201 201 MET HB2 H 2.068 0.02 2 750 201 201 MET HB3 H 1.964 0.02 2 751 201 201 MET C C 175.400 0.3 1 752 201 201 MET CA C 55.89 0.3 1 753 201 201 MET CB C 32.78 0.3 1 754 201 201 MET N N 120.300 0.3 1 755 202 202 LEU H H 8.222 0.02 1 756 202 202 LEU HA H 4.450 0.02 1 757 202 202 LEU C C 176.800 0.3 1 758 202 202 LEU CA C 55.45 0.3 1 759 202 202 LEU CB C 42.04 0.3 1 760 202 202 LEU N N 122.700 0.3 1 761 203 203 GLY H H 8.431 0.02 1 762 203 203 GLY HA2 H 3.960 0.02 2 763 203 203 GLY HA3 H 4.392 0.02 2 764 203 203 GLY C C 174.300 0.3 1 765 203 203 GLY CA C 44.62 0.3 1 766 203 203 GLY N N 110.200 0.3 1 767 204 204 VAL H H 8.367 0.02 1 768 204 204 VAL HA H 3.83 0.02 1 769 204 204 VAL HB H 2.168 0.02 1 770 204 204 VAL HG1 H 1.071 0.02 1 771 204 204 VAL HG2 H 1.132 0.02 1 772 204 204 VAL C C 177.400 0.3 1 773 204 204 VAL CA C 66.40 0.3 1 774 204 204 VAL CB C 31.35 0.3 1 775 204 204 VAL CG1 C 21.27 0.3 1 776 204 204 VAL CG2 C 22.40 0.3 1 777 204 204 VAL N N 119.600 0.3 1 778 205 205 ARG H H 8.515 0.02 1 779 205 205 ARG HA H 4.041 0.02 1 780 205 205 ARG HB2 H 1.891 0.02 2 781 205 205 ARG C C 178.600 0.3 1 782 205 205 ARG CA C 59.84 0.3 1 783 205 205 ARG CB C 29.38 0.3 1 784 205 205 ARG N N 120.300 0.3 1 785 206 206 GLU H H 8.146 0.02 1 786 206 206 GLU HA H 4.049 0.02 1 787 206 206 GLU C C 179.400 0.3 1 788 206 206 GLU CA C 60.34 0.3 1 789 206 206 GLU CB C 28.97 0.3 1 790 206 206 GLU N N 118.200 0.3 1 791 207 207 LEU H H 8.477 0.02 1 792 207 207 LEU HA H 4.339 0.02 1 793 207 207 LEU HB2 H 2.262 0.02 2 794 207 207 LEU HB3 H 1.636 0.02 2 795 207 207 LEU HD1 H 0.836 0.02 2 796 207 207 LEU C C 179.400 0.3 1 797 207 207 LEU CA C 58.42 0.3 1 798 207 207 LEU CB C 41.28 0.3 1 799 207 207 LEU CD1 C 26.21 0.3 2 800 207 207 LEU N N 120.300 0.3 1 801 208 208 ARG H H 8.652 0.02 1 802 208 208 ARG HA H 4.045 0.02 1 803 208 208 ARG HB2 H 1.981 0.02 2 804 208 208 ARG HB3 H 2.017 0.02 2 805 208 208 ARG C C 178.700 0.3 1 806 208 208 ARG CA C 59.90 0.3 1 807 208 208 ARG CB C 29.26 0.3 1 808 208 208 ARG N N 120.300 0.3 1 809 209 209 ILE H H 7.640 0.02 1 810 209 209 ILE HA H 3.660 0.02 1 811 209 209 ILE HB H 2.097 0.02 1 812 209 209 ILE HG12 H 1.854 0.02 2 813 209 209 ILE HG13 H 1.205 0.02 2 814 209 209 ILE HG2 H 1.013 0.02 1 815 209 209 ILE HD1 H 0.928 0.02 1 816 209 209 ILE C C 178.400 0.3 1 817 209 209 ILE CA C 65.10 0.3 1 818 209 209 ILE CB C 37.62 0.3 1 819 209 209 ILE CG1 C 29.05 0.3 1 820 209 209 ILE CG2 C 17.49 0.3 1 821 209 209 ILE CD1 C 13.46 0.3 1 822 209 209 ILE N N 119.900 0.3 1 823 210 210 ALA H H 7.986 0.02 1 824 210 210 ALA HA H 4.042 0.02 1 825 210 210 ALA HB H 1.660 0.02 1 826 210 210 ALA C C 178.600 0.3 1 827 210 210 ALA CA C 55.19 0.3 1 828 210 210 ALA CB C 17.98 0.3 1 829 210 210 ALA N N 121.60 0.3 1 830 211 211 PHE H H 8.699 0.02 1 831 211 211 PHE HA H 3.334 0.02 1 832 211 211 PHE HB2 H 2.983 0.02 2 833 211 211 PHE HB3 H 3.089 0.02 2 834 211 211 PHE HD1 H 6.475 0.02 3 835 211 211 PHE HE1 H 7.015 0.02 3 836 211 211 PHE HZ H 7.238 0.02 1 837 211 211 PHE C C 177.600 0.3 1 838 211 211 PHE CA C 62.07 0.3 1 839 211 211 PHE CB C 39.56 0.3 1 840 211 211 PHE N N 117.800 0.3 1 841 212 212 ARG H H 7.915 0.02 1 842 212 212 ARG HA H 3.933 0.02 1 843 212 212 ARG HB2 H 1.991 0.02 2 844 212 212 ARG C C 177.500 0.3 1 845 212 212 ARG CA C 58.85 0.3 1 846 212 212 ARG CB C 29.85 0.3 1 847 212 212 ARG N N 116.500 0.3 1 848 213 213 GLU H H 7.549 0.02 1 849 213 213 GLU HA H 3.976 0.02 1 850 213 213 GLU C C 177.700 0.3 1 851 213 213 GLU CA C 58.23 0.3 1 852 213 213 GLU CB C 28.70 0.3 1 853 213 213 GLU N N 117.400 0.3 1 854 214 214 PHE H H 7.183 0.02 1 855 214 214 PHE HA H 4.307 0.02 1 856 214 214 PHE C C 177.000 0.3 1 857 214 214 PHE CA C 59.11 0.3 1 858 214 214 PHE CB C 40.67 0.3 1 859 214 214 PHE N N 114.200 0.3 1 860 215 215 ASP H H 7.914 0.02 1 861 215 215 ASP HA H 4.553 0.02 1 862 215 215 ASP HB2 H 2.423 0.02 2 863 215 215 ASP HB3 H 1.547 0.02 2 864 215 215 ASP C C 177.200 0.3 1 865 215 215 ASP CA C 52.79 0.3 1 866 215 215 ASP CB C 39.08 0.3 1 867 215 215 ASP N N 118.400 0.3 1 868 216 216 LYS H H 7.631 0.02 1 869 216 216 LYS HA H 3.977 0.02 1 870 216 216 LYS C C 177.900 0.3 1 871 216 216 LYS CA C 58.75 0.3 1 872 216 216 LYS CB C 32.29 0.3 1 873 216 216 LYS N N 124.800 0.3 1 874 217 217 ASP H H 7.981 0.02 1 875 217 217 ASP HA H 4.593 0.02 1 876 217 217 ASP HB2 H 3.057 0.02 2 877 217 217 ASP HB3 H 2.587 0.02 2 878 217 217 ASP C C 176.100 0.3 1 879 217 217 ASP CA C 53.07 0.3 1 880 217 217 ASP CB C 39.08 0.3 1 881 217 217 ASP N N 114.300 0.3 1 882 218 218 ARG H H 7.755 0.02 1 883 218 218 ARG HA H 4.013 0.02 1 884 218 218 ARG C C 176.000 0.3 1 885 218 218 ARG CA C 56.96 0.3 1 886 218 218 ARG CB C 26.43 0.3 1 887 218 218 ARG N N 114.300 0.3 1 888 219 219 ASP H H 8.486 0.02 1 889 219 219 ASP HA H 4.655 0.02 1 890 219 219 ASP HB2 H 3.040 0.02 2 891 219 219 ASP HB3 H 2.449 0.02 2 892 219 219 ASP C C 178.00 0.3 1 893 219 219 ASP CA C 53.59 0.3 1 894 219 219 ASP CB C 40.71 0.3 1 895 219 219 ASP N N 119.50 0.3 1 896 220 220 GLY H H 10.55 0.02 1 897 220 220 GLY HA2 H 3.704 0.02 2 898 220 220 GLY HA3 H 4.333 0.02 2 899 220 220 GLY C C 173.30 0.3 1 900 220 220 GLY CA C 45.53 0.3 1 901 220 220 GLY N N 112.800 0.3 1 902 221 221 ARG H H 8.080 0.02 1 903 221 221 ARG HA H 5.103 0.02 1 904 221 221 ARG HB2 H 1.839 0.02 2 905 221 221 ARG HB3 H 1.512 0.02 2 906 221 221 ARG C C 174.80 0.3 1 907 221 221 ARG CA C 53.88 0.3 1 908 221 221 ARG CB C 32.69 0.3 1 909 221 221 ARG N N 118.500 0.3 1 910 222 222 ILE H H 9.809 0.02 1 911 222 222 ILE HA H 4.821 0.02 1 912 222 222 ILE HB H 1.804 0.02 1 913 222 222 ILE HG12 H 1.800 0.02 2 914 222 222 ILE HG13 H 1.138 0.02 2 915 222 222 ILE HG2 H 0.839 0.02 1 916 222 222 ILE HD1 H 0.207 0.02 1 917 222 222 ILE C C 176.500 0.3 1 918 222 222 ILE CA C 60.79 0.3 1 919 222 222 ILE CB C 38.47 0.3 1 920 222 222 ILE CG2 C 17.93 0.3 1 921 222 222 ILE CD1 C 14.95 0.3 1 922 222 222 ILE N N 126.400 0.3 1 923 223 223 THR H H 8.722 0.02 1 924 223 223 THR HA H 4.726 0.02 1 925 223 223 THR HB H 4.790 0.02 1 926 223 223 THR HG2 H 1.290 0.02 1 927 223 223 THR C C 176.100 0.3 1 928 223 223 THR CA C 59.85 0.3 1 929 223 223 THR CB C 71.91 0.3 1 930 223 223 THR CG2 C 22.26 0.3 1 931 223 223 THR N N 117.900 0.3 1 932 224 224 VAL H H 9.124 0.02 1 933 224 224 VAL HA H 3.750 0.02 1 934 224 224 VAL HB H 2.168 0.02 1 935 224 224 VAL HG1 H 1.049 0.02 1 936 224 224 VAL HG2 H 1.126 0.02 1 937 224 224 VAL C C 177.000 0.3 1 938 224 224 VAL CA C 66.61 0.3 1 939 224 224 VAL CB C 30.96 0.3 1 940 224 224 VAL CG1 C 20.84 0.3 1 941 224 224 VAL CG2 C 23.21 0.3 1 942 224 224 VAL N N 120.400 0.3 1 943 225 225 ALA H H 7.888 0.02 1 944 225 225 ALA HA H 4.130 0.02 1 945 225 225 ALA HB H 1.450 0.02 1 946 225 225 ALA C C 181.000 0.3 1 947 225 225 ALA CA C 55.20 0.3 1 948 225 225 ALA CB C 18.01 0.3 1 949 225 225 ALA N N 121.400 0.3 1 950 226 226 GLU H H 7.661 0.02 1 951 226 226 GLU HA H 4.122 0.02 1 952 226 226 GLU C C 180.100 0.3 1 953 226 226 GLU CA C 59.14 0.3 1 954 226 226 GLU CB C 29.24 0.3 1 955 226 226 GLU N N 118.800 0.3 1 956 227 227 LEU H H 8.601 0.02 1 957 227 227 LEU HA H 4.068 0.02 1 958 227 227 LEU HB2 H 1.747 0.02 2 959 227 227 LEU HG H 1.640 0.02 1 960 227 227 LEU HD1 H 0.782 0.02 1 961 227 227 LEU HD2 H 0.699 0.02 1 962 227 227 LEU C C 178.100 0.3 1 963 227 227 LEU CA C 58.52 0.3 1 964 227 227 LEU CB C 41.64 0.3 1 965 227 227 LEU CG C 26.76 0.3 1 966 227 227 LEU CD1 C 24.27 0.3 1 967 227 227 LEU CD2 C 24.87 0.3 1 968 227 227 LEU N N 122.400 0.3 1 969 228 228 ARG H H 8.456 0.02 1 970 228 228 ARG C C 178.700 0.3 1 971 228 228 ARG CA C 59.57 0.3 1 972 228 228 ARG CB C 29.98 0.3 1 973 228 228 ARG N N 116.900 0.3 1 974 229 229 GLN H H 7.649 0.02 1 975 229 229 GLN HA H 4.190 0.02 1 976 229 229 GLN HB2 H 2.200 0.02 2 977 229 229 GLN HG2 H 2.560 0.02 2 978 229 229 GLN C C 177.300 0.3 1 979 229 229 GLN CA C 57.83 0.3 1 980 229 229 GLN CB C 28.80 0.3 1 981 229 229 GLN CG C 34.07 0.3 1 982 229 229 GLN N N 115.200 0.3 1 983 230 230 ALA H H 7.765 0.02 1 984 230 230 ALA HA H 4.341 0.02 1 985 230 230 ALA HB H 1.266 0.02 1 986 230 230 ALA C C 178.100 0.3 1 987 230 230 ALA CA C 53.20 0.3 1 988 230 230 ALA CB C 19.96 0.3 1 989 230 230 ALA N N 119.500 0.3 1 990 231 231 ALA H H 8.072 0.02 1 991 231 231 ALA HA H 4.162 0.02 1 992 231 231 ALA HB H 1.637 0.02 1 993 231 231 ALA C C 175.300 0.3 1 994 231 231 ALA CA C 57.16 0.3 1 995 231 231 ALA CB C 16.42 0.3 1 996 231 231 ALA N N 119.100 0.3 1 997 232 232 PRO HA H 4.163 0.02 1 998 232 232 PRO C C 178.70 0.3 1 999 232 232 PRO CA C 66.35 0.3 1 1000 232 232 PRO CB C 30.36 0.3 1 1001 233 233 ALA H H 7.355 0.02 1 1002 233 233 ALA HA H 4.220 0.02 1 1003 233 233 ALA HB H 1.480 0.02 1 1004 233 233 ALA C C 178.900 0.3 1 1005 233 233 ALA CA C 53.99 0.3 1 1006 233 233 ALA CB C 18.67 0.3 1 1007 233 233 ALA N N 118.000 0.3 1 1008 234 234 LEU H H 7.870 0.02 1 1009 234 234 LEU HA H 4.283 0.02 1 1010 234 234 LEU HB2 H 1.578 0.02 2 1011 234 234 LEU HB3 H 1.446 0.02 2 1012 234 234 LEU HG H 1.610 0.02 1 1013 234 234 LEU HD1 H 0.537 0.02 1 1014 234 234 LEU HD2 H 0.753 0.02 1 1015 234 234 LEU C C 177.600 0.3 1 1016 234 234 LEU CA C 56.40 0.3 1 1017 234 234 LEU CB C 42.72 0.3 1 1018 234 234 LEU CG C 27.05 0.3 1 1019 234 234 LEU CD1 C 25.38 0.3 1 1020 234 234 LEU CD2 C 23.37 0.3 1 1021 234 234 LEU N N 116.900 0.3 1 1022 235 235 LEU H H 8.518 0.02 1 1023 235 235 LEU HA H 4.430 0.02 1 1024 235 235 LEU HB2 H 1.678 0.02 2 1025 235 235 LEU HB3 H 1.926 0.02 2 1026 235 235 LEU HD2 H 0.896 0.02 2 1027 235 235 LEU C C 178.000 0.3 1 1028 235 235 LEU CA C 55.12 0.3 1 1029 235 235 LEU CB C 42.29 0.3 1 1030 235 235 LEU CD2 C 23.61 0.3 2 1031 235 235 LEU N N 115.800 0.3 1 1032 236 236 GLY H H 7.728 0.02 1 1033 236 236 GLY HA2 H 3.802 0.02 2 1034 236 236 GLY HA3 H 4.128 0.02 2 1035 236 236 GLY C C 173.100 0.3 1 1036 236 236 GLY CA C 45.84 0.3 1 1037 236 236 GLY N N 106.800 0.3 1 1038 237 237 GLU H H 7.317 0.02 1 1039 237 237 GLU HA H 4.830 0.02 1 1040 237 237 GLU HB2 H 2.120 0.02 2 1041 237 237 GLU HB3 H 1.812 0.02 2 1042 237 237 GLU C C 172.600 0.3 1 1043 237 237 GLU CA C 53.35 0.3 1 1044 237 237 GLU CB C 31.02 0.3 1 1045 237 237 GLU N N 117.700 0.3 1 1046 238 238 PRO HA H 4.420 0.02 1 1047 238 238 PRO HB2 H 1.950 0.02 2 1048 238 238 PRO HB3 H 2.252 0.02 2 1049 238 238 PRO C C 176.100 0.3 1 1050 238 238 PRO CA C 62.69 0.3 1 1051 238 238 PRO CB C 31.38 0.3 1 1052 239 239 LEU H H 8.072 0.02 1 1053 239 239 LEU HA H 4.523 0.02 1 1054 239 239 LEU HB2 H 1.463 0.02 2 1055 239 239 LEU HD1 H 0.835 0.02 2 1056 239 239 LEU C C 176.100 0.3 1 1057 239 239 LEU CA C 54.53 0.3 1 1058 239 239 LEU CB C 43.49 0.3 1 1059 239 239 LEU CD1 C 25.84 0.3 2 1060 239 239 LEU N N 122.300 0.3 1 1061 240 240 GLU H H 8.750 0.02 1 1062 240 240 GLU HA H 4.513 0.02 1 1063 240 240 GLU HB2 H 2.178 0.02 2 1064 240 240 GLU HB3 H 1.942 0.02 2 1065 240 240 GLU C C 177.300 0.3 1 1066 240 240 GLU CA C 55.69 0.3 1 1067 240 240 GLU CB C 31.59 0.3 1 1068 240 240 GLU N N 121.700 0.3 1 1069 241 241 GLY H H 8.825 0.02 1 1070 241 241 GLY HA2 H 3.857 0.02 2 1071 241 241 GLY C C 176.100 0.3 1 1072 241 241 GLY CA C 47.01 0.3 1 1073 241 241 GLY N N 109.800 0.3 1 1074 242 242 THR HA H 4.273 0.02 1 1075 242 242 THR HB H 4.340 0.02 1 1076 242 242 THR HG2 H 1.313 0.02 1 1077 242 242 THR C C 176.300 0.3 1 1078 242 242 THR CA C 64.45 0.3 1 1079 242 242 THR CB C 68.66 0.3 1 1080 242 242 THR CG2 C 22.09 0.3 1 1081 243 243 GLU H H 8.179 0.02 1 1082 243 243 GLU HA H 4.168 0.02 1 1083 243 243 GLU HB2 H 2.076 0.02 2 1084 243 243 GLU HB3 H 2.179 0.02 2 1085 243 243 GLU C C 178.900 0.3 1 1086 243 243 GLU CA C 59.52 0.3 1 1087 243 243 GLU CB C 29.25 0.3 1 1088 243 243 GLU N N 121.700 0.3 1 1089 244 244 LEU H H 7.624 0.02 1 1090 244 244 LEU HA H 3.994 0.02 1 1091 244 244 LEU HB2 H 1.633 0.02 2 1092 244 244 LEU HB3 H 1.595 0.02 2 1093 244 244 LEU HG H 1.630 0.02 1 1094 244 244 LEU HD1 H 0.910 0.02 2 1095 244 244 LEU HD2 H 0.867 0.02 2 1096 244 244 LEU C C 177.800 0.3 1 1097 244 244 LEU CA C 57.66 0.3 1 1098 244 244 LEU CB C 40.55 0.3 1 1099 244 244 LEU CG C 27.45 0.3 1 1100 244 244 LEU CD1 C 24.96 0.3 2 1101 244 244 LEU N N 120.100 0.3 1 1102 245 245 ASP H H 7.793 0.02 1 1103 245 245 ASP HA H 4.282 0.02 1 1104 245 245 ASP HB2 H 2.655 0.02 2 1105 245 245 ASP HB3 H 2.771 0.02 2 1106 245 245 ASP C C 179.100 0.3 1 1107 245 245 ASP CA C 57.66 0.3 1 1108 245 245 ASP CB C 40.45 0.3 1 1109 245 245 ASP N N 118.500 0.3 1 1110 246 246 GLU H H 8.016 0.02 1 1111 246 246 GLU HA H 4.039 0.02 1 1112 246 246 GLU C C 178.300 0.3 1 1113 246 246 GLU CA C 59.06 0.3 1 1114 246 246 GLU CB C 29.15 0.3 1 1115 246 246 GLU N N 119.000 0.3 1 1116 247 247 MET H H 7.841 0.02 1 1117 247 247 MET HA H 3.976 0.02 1 1118 247 247 MET C C 177.800 0.3 1 1119 247 247 MET CA C 59.28 0.3 1 1120 247 247 MET CB C 32.15 0.3 1 1121 247 247 MET N N 120.300 0.3 1 1122 248 248 LEU H H 7.961 0.02 1 1123 248 248 LEU HA H 3.809 0.02 1 1124 248 248 LEU HB2 H 1.562 0.02 2 1125 248 248 LEU HB3 H 1.922 0.02 2 1126 248 248 LEU HG H 1.638 0.02 1 1127 248 248 LEU HD2 H 0.824 0.02 2 1128 248 248 LEU C C 178.200 0.3 1 1129 248 248 LEU CA C 58.92 0.3 1 1130 248 248 LEU CB C 40.48 0.3 1 1131 248 248 LEU CG C 27.45 0.3 1 1132 248 248 LEU CD2 C 24.69 0.3 2 1133 248 248 LEU N N 118.900 0.3 1 1134 249 249 ARG H H 7.872 0.02 1 1135 249 249 ARG HA H 3.995 0.02 1 1136 249 249 ARG HB2 H 1.940 0.02 2 1137 249 249 ARG C C 178.800 0.3 1 1138 249 249 ARG CA C 59.28 0.3 1 1139 249 249 ARG CB C 29.65 0.3 1 1140 249 249 ARG N N 116.600 0.3 1 1141 250 250 GLU H H 7.850 0.02 1 1142 250 250 GLU HA H 4.065 0.02 1 1143 250 250 GLU C C 177.600 0.3 1 1144 250 250 GLU CA C 58.77 0.3 1 1145 250 250 GLU CB C 29.68 0.3 1 1146 250 250 GLU N N 116.900 0.3 1 1147 251 251 MET H H 7.596 0.02 1 1148 251 251 MET HA H 4.379 0.02 1 1149 251 251 MET HB2 H 2.008 0.02 2 1150 251 251 MET C C 176.200 0.3 1 1151 251 251 MET CA C 56.94 0.3 1 1152 251 251 MET CB C 34.50 0.3 1 1153 251 251 MET N N 114.100 0.3 1 1154 252 252 ASP H H 7.955 0.02 1 1155 252 252 ASP HA H 4.615 0.02 1 1156 252 252 ASP HB2 H 2.938 0.02 2 1157 252 252 ASP HB3 H 2.297 0.02 2 1158 252 252 ASP C C 177.00 0.3 1 1159 252 252 ASP CA C 52.84 0.3 1 1160 252 252 ASP CB C 39.05 0.3 1 1161 252 252 ASP N N 117.100 0.3 1 1162 253 253 LEU H H 7.693 0.02 1 1163 253 253 LEU HA H 4.070 0.02 1 1164 253 253 LEU HB2 H 1.601 0.02 2 1165 253 253 LEU HB3 H 1.863 0.02 2 1166 253 253 LEU HG H 1.815 0.02 1 1167 253 253 LEU HD1 H 1.049 0.02 1 1168 253 253 LEU HD2 H 0.928 0.02 1 1169 253 253 LEU C C 178.900 0.3 1 1170 253 253 LEU CA C 57.62 0.3 1 1171 253 253 LEU CB C 41.36 0.3 1 1172 253 253 LEU CG C 27.00 0.3 1 1173 253 253 LEU CD1 C 25.71 0.3 1 1174 253 253 LEU CD2 C 22.34 0.3 1 1175 253 253 LEU N N 126.100 0.3 1 1176 254 254 ASN H H 8.365 0.02 1 1177 254 254 ASN HA H 4.791 0.02 1 1178 254 254 ASN HB2 H 2.982 0.02 2 1179 254 254 ASN HB3 H 3.344 0.02 2 1180 254 254 ASN C C 176.900 0.3 1 1181 254 254 ASN CA C 51.94 0.3 1 1182 254 254 ASN CB C 37.31 0.3 1 1183 254 254 ASN N N 112.800 0.3 1 1184 255 255 GLY H H 7.668 0.02 1 1185 255 255 GLY HA2 H 3.900 0.02 2 1186 255 255 GLY C C 175.00 0.3 1 1187 255 255 GLY CA C 47.56 0.3 1 1188 255 255 GLY N N 109.500 0.3 1 1189 256 256 ASP H H 8.165 0.02 1 1190 256 256 ASP HA H 4.549 0.02 1 1191 256 256 ASP HB2 H 2.472 0.02 2 1192 256 256 ASP HB3 H 3.158 0.02 2 1193 256 256 ASP C C 177.600 0.3 1 1194 256 256 ASP CA C 53.77 0.3 1 1195 256 256 ASP CB C 40.27 0.3 1 1196 256 256 ASP N N 119.900 0.3 1 1197 257 257 GLY H H 10.62 0.02 1 1198 257 257 GLY HA2 H 3.48 0.02 2 1199 257 257 GLY HA3 H 4.30 0.02 2 1200 257 257 GLY C C 173.30 0.3 1 1201 257 257 GLY CA C 45.64 0.3 1 1202 257 257 GLY N N 113.800 0.3 1 1203 258 258 THR H H 7.948 0.02 1 1204 258 258 THR HA H 4.968 0.02 1 1205 258 258 THR HB H 3.795 0.02 1 1206 258 258 THR HG2 H 1.079 0.02 1 1207 258 258 THR C C 173.300 0.3 1 1208 258 258 THR CA C 59.33 0.3 1 1209 258 258 THR CB C 73.06 0.3 1 1210 258 258 THR CG2 C 22.65 0.3 1 1211 258 258 THR N N 108.400 0.3 1 1212 259 259 ILE H H 9.241 0.02 1 1213 259 259 ILE HA H 5.167 0.02 1 1214 259 259 ILE HB H 2.015 0.02 1 1215 259 259 ILE HG12 H 1.471 0.02 2 1216 259 259 ILE HG13 H 0.973 0.02 2 1217 259 259 ILE HG2 H 1.289 0.02 1 1218 259 259 ILE HD1 H 0.838 0.02 1 1219 259 259 ILE C C 176.000 0.3 1 1220 259 259 ILE CA C 59.52 0.3 1 1221 259 259 ILE CB C 39.04 0.3 1 1222 259 259 ILE CG2 C 18.42 0.3 1 1223 259 259 ILE CD1 C 14.17 0.3 1 1224 259 259 ILE N N 125.100 0.3 1 1225 260 260 ASP H H 9.043 0.02 1 1226 260 260 ASP HA H 5.450 0.02 1 1227 260 260 ASP HB2 H 2.637 0.02 2 1228 260 260 ASP HB3 H 3.325 0.02 2 1229 260 260 ASP C C 176.000 0.3 1 1230 260 260 ASP CA C 52.46 0.3 1 1231 260 260 ASP CB C 41.84 0.3 1 1232 260 260 ASP N N 128.100 0.3 1 1233 261 261 PHE H H 8.695 0.02 1 1234 261 261 PHE HA H 3.610 0.02 1 1235 261 261 PHE HB2 H 2.193 0.02 2 1236 261 261 PHE HB3 H 2.580 0.02 2 1237 261 261 PHE HD1 H 6.607 0.02 3 1238 261 261 PHE HE1 H 7.085 0.02 3 1239 261 261 PHE HZ H 7.241 0.02 1 1240 261 261 PHE C C 176.200 0.3 1 1241 261 261 PHE CA C 61.87 0.3 1 1242 261 261 PHE CB C 38.51 0.3 1 1243 261 261 PHE N N 118.600 0.3 1 1244 262 262 ASP H H 7.873 0.02 1 1245 262 262 ASP HA H 4.162 0.02 1 1246 262 262 ASP HB2 H 2.595 0.02 2 1247 262 262 ASP HB3 H 2.788 0.02 2 1248 262 262 ASP C C 179.600 0.3 1 1249 262 262 ASP CA C 57.74 0.3 1 1250 262 262 ASP CB C 40.02 0.3 1 1251 262 262 ASP N N 117.700 0.3 1 1252 263 263 GLU H H 8.558 0.02 1 1253 263 263 GLU HA H 3.902 0.02 1 1254 263 263 GLU C C 178.600 0.3 1 1255 263 263 GLU CA C 59.25 0.3 1 1256 263 263 GLU CB C 29.06 0.3 1 1257 263 263 GLU N N 121.200 0.3 1 1258 264 264 PHE H H 8.489 0.02 1 1259 264 264 PHE HA H 4.021 0.02 1 1260 264 264 PHE HD1 H 7.044 0.02 3 1261 264 264 PHE HE1 H 7.259 0.02 3 1262 264 264 PHE HZ H 7.225 0.02 1 1263 264 264 PHE C C 176.40 0.3 1 1264 264 264 PHE CA C 61.74 0.3 1 1265 264 264 PHE CB C 40.35 0.3 1 1266 264 264 PHE N N 122.10 0.3 1 1267 265 265 VAL H H 8.271 0.02 1 1268 265 265 VAL HA H 3.310 0.02 1 1269 265 265 VAL HB H 1.833 0.02 1 1270 265 265 VAL HG1 H 0.709 0.02 1 1271 265 265 VAL HG2 H 0.430 0.02 1 1272 265 265 VAL C C 179.200 0.3 1 1273 265 265 VAL CA C 66.14 0.3 1 1274 265 265 VAL CB C 31.18 0.3 1 1275 265 265 VAL CG1 C 21.54 0.3 1 1276 265 265 VAL CG2 C 23.39 0.3 1 1277 265 265 VAL N N 116.000 0.3 1 1278 266 266 MET H H 7.937 0.02 1 1279 266 266 MET HA H 4.07 0.02 1 1280 266 266 MET C C 178.600 0.3 1 1281 266 266 MET CA C 59.50 0.3 1 1282 266 266 MET CB C 29.21 0.3 1 1283 266 266 MET N N 119.40 0.3 1 1284 267 267 MET H H 7.767 0.02 1 1285 267 267 MET HA H 4.41 0.02 1 1286 267 267 MET C C 177.500 0.3 1 1287 267 267 MET CA C 57.09 0.3 1 1288 267 267 MET CB C 31.51 0.3 1 1289 267 267 MET N N 116.900 0.3 1 1290 268 268 LEU H H 7.425 0.02 1 1291 268 268 LEU HA H 4.240 0.02 1 1292 268 268 LEU HB2 H 1.410 0.02 2 1293 268 268 LEU HG H 1.320 0.02 1 1294 268 268 LEU HD1 H 0.203 0.02 1 1295 268 268 LEU HD2 H 0.550 0.02 1 1296 268 268 LEU C C 177.400 0.3 1 1297 268 268 LEU CA C 55.72 0.3 1 1298 268 268 LEU CB C 41.55 0.3 1 1299 268 268 LEU CG C 27.86 0.3 1 1300 268 268 LEU CD1 C 25.31 0.3 1 1301 268 268 LEU CD2 C 23.59 0.3 1 1302 268 268 LEU N N 117.600 0.3 1 1303 269 269 SER H H 7.773 0.02 1 1304 269 269 SER HA H 4.523 0.02 1 1305 269 269 SER C C 177.400 0.3 1 1306 269 269 SER CA C 59.08 0.3 1 1307 269 269 SER CB C 63.87 0.3 1 1308 269 269 SER N N 113.800 0.3 1 1309 270 270 THR H H 7.896 0.02 1 1310 270 270 THR HA H 4.410 0.02 1 1311 270 270 THR HB H 4.330 0.02 1 1312 270 270 THR HG2 H 1.239 0.02 1 1313 270 270 THR C C 174.20 0.3 1 1314 270 270 THR CA C 62.12 0.3 1 1315 270 270 THR CB C 69.99 0.3 1 1316 270 270 THR CG2 C 21.52 0.3 1 1317 270 270 THR N N 114.70 0.3 1 1318 271 271 GLY H H 7.945 0.02 1 1319 271 271 GLY HA2 H 3.793 0.02 2 1320 271 271 GLY C C 178.90 0.3 1 1321 271 271 GLY CA C 46.43 0.3 1 1322 271 271 GLY N N 117.00 0.3 1 stop_ save_