data_15646 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR analysis of the closed conformation of syntaxin-1 ; _BMRB_accession_number 15646 _BMRB_flat_file_name bmr15646.str _Entry_type original _Submission_date 2008-02-02 _Accession_date 2008-02-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR assignments of the syntaxin-1 closed conformation' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Xiaocheng . . 2 Lu Jun . . 3 Dulubova Irina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 691 "13C chemical shifts" 605 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-07 update BMRB 'complete entry citation' 2008-02-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR analysis of the closed conformation of syntaxin-1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18458823 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Xiaocheng . . 2 Lu Jun . . 3 Dulubova Irina . . 4 Rizo Josep . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 41 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 43 _Page_last 54 _Year 2008 _Details . loop_ _Keyword 'conformational change' 'membrane traffic' munc18 'neurotransmitter release' syntaxin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name sx23 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label sx23 $sx23 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_sx23 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sx23 _Molecular_mass . _Mol_thiol_state 'all free' _Details ; The assignments correspond to a fragment of syntaxin-1A containing residues 26-230. The two first residues, Gly-Ser, come from the expression vector used. ; ############################## # Polymer residue sequence # ############################## _Residue_count 207 _Mol_residue_sequence ; GSRDRFMDEFFEQVEEIRGF IDKIAENVEEVKRKHSAILA SPNPDEKTKEELEELMSDIK KTANKVRSKLKSIEQSIEQE EGLNRSSADLRIRKTQHSTL SRKFVEVMSEYNATQSDYRE RCKGRIQRQLEITGRTTTSE ELEDMLESGNPAIFASGIIM DSSISKQALSEIETRHSEII KLENRLRELHDMFMDMAMLV ESQGEMI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 24 GLY 2 25 SER 3 26 ARG 4 27 ASP 5 28 ARG 6 29 PHE 7 30 MET 8 31 ASP 9 32 GLU 10 33 PHE 11 34 PHE 12 35 GLU 13 36 GLN 14 37 VAL 15 38 GLU 16 39 GLU 17 40 ILE 18 41 ARG 19 42 GLY 20 43 PHE 21 44 ILE 22 45 ASP 23 46 LYS 24 47 ILE 25 48 ALA 26 49 GLU 27 50 ASN 28 51 VAL 29 52 GLU 30 53 GLU 31 54 VAL 32 55 LYS 33 56 ARG 34 57 LYS 35 58 HIS 36 59 SER 37 60 ALA 38 61 ILE 39 62 LEU 40 63 ALA 41 64 SER 42 65 PRO 43 66 ASN 44 67 PRO 45 68 ASP 46 69 GLU 47 70 LYS 48 71 THR 49 72 LYS 50 73 GLU 51 74 GLU 52 75 LEU 53 76 GLU 54 77 GLU 55 78 LEU 56 79 MET 57 80 SER 58 81 ASP 59 82 ILE 60 83 LYS 61 84 LYS 62 85 THR 63 86 ALA 64 87 ASN 65 88 LYS 66 89 VAL 67 90 ARG 68 91 SER 69 92 LYS 70 93 LEU 71 94 LYS 72 95 SER 73 96 ILE 74 97 GLU 75 98 GLN 76 99 SER 77 100 ILE 78 101 GLU 79 102 GLN 80 103 GLU 81 104 GLU 82 105 GLY 83 106 LEU 84 107 ASN 85 108 ARG 86 109 SER 87 110 SER 88 111 ALA 89 112 ASP 90 113 LEU 91 114 ARG 92 115 ILE 93 116 ARG 94 117 LYS 95 118 THR 96 119 GLN 97 120 HIS 98 121 SER 99 122 THR 100 123 LEU 101 124 SER 102 125 ARG 103 126 LYS 104 127 PHE 105 128 VAL 106 129 GLU 107 130 VAL 108 131 MET 109 132 SER 110 133 GLU 111 134 TYR 112 135 ASN 113 136 ALA 114 137 THR 115 138 GLN 116 139 SER 117 140 ASP 118 141 TYR 119 142 ARG 120 143 GLU 121 144 ARG 122 145 CYS 123 146 LYS 124 147 GLY 125 148 ARG 126 149 ILE 127 150 GLN 128 151 ARG 129 152 GLN 130 153 LEU 131 154 GLU 132 155 ILE 133 156 THR 134 157 GLY 135 158 ARG 136 159 THR 137 160 THR 138 161 THR 139 162 SER 140 163 GLU 141 164 GLU 142 165 LEU 143 166 GLU 144 167 ASP 145 168 MET 146 169 LEU 147 170 GLU 148 171 SER 149 172 GLY 150 173 ASN 151 174 PRO 152 175 ALA 153 176 ILE 154 177 PHE 155 178 ALA 156 179 SER 157 180 GLY 158 181 ILE 159 182 ILE 160 183 MET 161 184 ASP 162 185 SER 163 186 SER 164 187 ILE 165 188 SER 166 189 LYS 167 190 GLN 168 191 ALA 169 192 LEU 170 193 SER 171 194 GLU 172 195 ILE 173 196 GLU 174 197 THR 175 198 ARG 176 199 HIS 177 200 SER 178 201 GLU 179 202 ILE 180 203 ILE 181 204 LYS 182 205 LEU 183 206 GLU 184 207 ASN 185 208 ARG 186 209 LEU 187 210 ARG 188 211 GLU 189 212 LEU 190 213 HIS 191 214 ASP 192 215 MET 193 216 PHE 194 217 MET 195 218 ASP 196 219 MET 197 220 ALA 198 221 MET 199 222 LEU 200 223 VAL 201 224 GLU 202 225 SER 203 226 GLN 204 227 GLY 205 228 GLU 206 229 MET 207 230 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 BMRB 4198 "N-terminal domain of Syntaxin 1A" 58.45 161 99.17 99.17 3.46e-77 PDB 1BR0 "Three Dimensional Structure Of The N-Terminal Domain Of Syntaxin 1a" 57.97 120 99.17 99.17 7.49e-77 PDB 1EZ3 "Crystal Structure Of The Neuronal T-Snare Syntaxin-1a" 60.39 127 100.00 100.00 2.71e-82 PDB 3C98 "Revised Structure Of The Munc18a-Syntaxin1 Complex" 99.03 279 99.02 99.51 6.69e-142 PDB 4JEH "Crystal Structure Of Munc18a And Syntaxin1 Lacking N-peptide Complex" 99.03 243 99.02 99.51 1.95e-142 PDB 4JEU "Crystal Structure Of Munc18a And Syntaxin1 With Native N-terminus Complex" 99.03 242 99.02 99.51 4.57e-142 DBJ BAA01231 "HPC-1 antigen [Rattus norvegicus]" 99.03 298 99.02 99.51 2.45e-141 DBJ BAA02089 "synaptotagmin associated 35kDa protein [Rattus norvegicus]" 99.03 285 99.02 99.51 1.70e-141 DBJ BAA07151 "HPC-1 [Homo sapiens]" 99.03 288 99.02 99.51 1.17e-141 DBJ BAA28865 "HPC-1/syntaxin [Mus musculus]" 99.03 288 98.54 99.02 1.85e-140 DBJ BAC78519 "syntaxin 1C [Homo sapiens]" 97.10 260 99.00 99.50 2.59e-138 EMBL CAG33299 "STX1A [Homo sapiens]" 99.03 288 99.02 99.51 1.17e-141 EMBL CAH93304 "hypothetical protein [Pongo abelii]" 99.03 288 99.02 99.51 1.73e-141 GB AAA20940 "syntaxin [Homo sapiens]" 97.10 259 98.01 98.51 5.34e-136 GB AAA42195 "syntaxin A, partial [Rattus norvegicus]" 99.03 285 99.02 99.51 1.70e-141 GB AAA53519 "syntaxin 1A [Homo sapiens]" 99.03 288 99.02 99.51 1.17e-141 GB AAB22525 "syntaxin, P35A [rats, brain, Peptide Partial, 285 aa]" 99.03 285 99.02 99.51 1.70e-141 GB AAB65500 "syntaxin 1C [Homo sapiens]" 97.10 260 99.00 99.50 3.15e-138 PIR G01485 "syntaxin - human" 97.10 259 98.01 98.51 5.34e-136 PRF 2116295A "syntaxin 1A" 99.03 288 99.02 99.51 1.17e-141 REF NP_001028037 "syntaxin-1B [Macaca mulatta]" 99.03 288 98.05 98.54 4.24e-140 REF NP_001126944 "syntaxin-1A [Pongo abelii]" 99.03 288 99.02 99.51 1.73e-141 REF NP_001159375 "syntaxin-1A isoform 2 [Homo sapiens]" 97.10 251 99.00 99.50 1.55e-138 REF NP_004594 "syntaxin-1A isoform 1 [Homo sapiens]" 99.03 288 99.02 99.51 1.17e-141 REF NP_058081 "syntaxin-1A [Mus musculus]" 99.03 288 98.54 99.02 1.85e-140 SP O35526 "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1" 99.03 288 98.54 99.02 1.85e-140 SP P32850 "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1; AltName: Full=Synaptotagmin-associated 35 kDa protein; " 99.03 288 98.54 99.51 7.63e-141 SP P32851 "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1; AltName: Full=Synaptotagmin-associated 35 kDa protein; " 99.03 288 99.02 99.51 2.13e-141 SP Q16623 "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1" 99.03 288 99.02 99.51 1.17e-141 SP Q5R4L2 "RecName: Full=Syntaxin-1A" 99.03 288 99.02 99.51 1.73e-141 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $sx23 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $sx23 'recombinant technology' . Escherichia coli . PGEX-KT 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 $sx23 700 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sx23 700 uM '[U-99% 15N]' 'sodium phosphate' 20 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sx23 700 uM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 20 mM . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_DQF-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HNCO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 20 . mM pH 7.4 . pH pressure 1 . atm temperature 301 . 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 water C 13 protons ppm 4.744 internal indirect . . . 0.25146 water H 1 protons ppm 4.744 internal direct . . . 1.00000 water N 15 protons ppm 4.744 internal indirect . . . 0.10134 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name sx23 _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 3 3 ARG H H 8.08 0.03 1 2 3 3 ARG C C 176.6 0.3 1 3 3 3 ARG CA C 56.5 0.3 1 4 3 3 ARG CB C 29.9 0.3 1 5 3 3 ARG N N 119.3 0.3 1 6 4 4 ASP H H 8.27 0.03 1 7 4 4 ASP HA H 4.56 0.03 1 8 4 4 ASP HB2 H 2.66 0.03 2 9 4 4 ASP HB3 H 2.73 0.03 2 10 4 4 ASP C C 176.8 0.3 1 11 4 4 ASP CA C 54.7 0.3 1 12 4 4 ASP CB C 41 0.3 1 13 4 4 ASP N N 121.1 0.3 1 14 5 5 ARG H H 8.28 0.03 1 15 5 5 ARG HA H 4.3 0.03 1 16 5 5 ARG HB2 H 1.83 0.03 2 17 5 5 ARG HD2 H 3.17 0.03 2 18 5 5 ARG HG2 H 1.56 0.03 2 19 5 5 ARG C C 177.6 0.3 1 20 5 5 ARG CA C 56.9 0.3 1 21 5 5 ARG CB C 29.7 0.3 1 22 5 5 ARG CD C 42.6 0.3 1 23 5 5 ARG CG C 26.5 0.3 1 24 5 5 ARG N N 121.1 0.3 1 25 6 6 PHE H H 8.11 0.03 1 26 6 6 PHE HA H 4.41 0.03 1 27 6 6 PHE HB2 H 3.17 0.03 2 28 6 6 PHE HD1 H 7.23 0.03 3 29 6 6 PHE HD2 H 7.23 0.03 3 30 6 6 PHE C C 178.4 0.3 1 31 6 6 PHE CA C 59.9 0.3 1 32 6 6 PHE CB C 38.5 0.3 1 33 6 6 PHE CD1 C 131.1 0.3 3 34 6 6 PHE CD2 C 131.1 0.3 3 35 6 6 PHE N N 119.8 0.3 1 36 7 7 MET H H 8.31 0.03 1 37 7 7 MET HA H 4.53 0.03 1 38 7 7 MET HB2 H 2.12 0.03 2 39 7 7 MET HB3 H 2.12 0.03 2 40 7 7 MET HE H 1.94 0.03 1 41 7 7 MET HG2 H 2.53 0.03 2 42 7 7 MET HG3 H 2.69 0.03 2 43 7 7 MET C C 178.1 0.3 1 44 7 7 MET CA C 56 0.3 1 45 7 7 MET CB C 30.4 0.3 1 46 7 7 MET CE C 16.4 0.3 1 47 7 7 MET CG C 32.6 0.3 1 48 7 7 MET N N 119.1 0.3 1 49 8 8 ASP H H 8.17 0.03 1 50 8 8 ASP HA H 4.58 0.03 1 51 8 8 ASP HB2 H 2.76 0.03 2 52 8 8 ASP HB3 H 2.82 0.03 2 53 8 8 ASP C C 179.4 0.3 1 54 8 8 ASP CA C 57.5 0.3 1 55 8 8 ASP CB C 40.2 0.3 1 56 8 8 ASP N N 120.9 0.3 1 57 9 9 GLU H H 8.3 0.03 1 58 9 9 GLU HA H 4.07 0.03 1 59 9 9 GLU HB2 H 2.08 0.03 2 60 9 9 GLU HG2 H 2.25 0.03 2 61 9 9 GLU HG3 H 2.42 0.03 2 62 9 9 GLU C C 179.1 0.3 1 63 9 9 GLU CA C 59.2 0.3 1 64 9 9 GLU CB C 28.9 0.3 1 65 9 9 GLU CG C 36.5 0.3 1 66 9 9 GLU N N 120.2 0.3 1 67 10 10 PHE H H 8.04 0.03 1 68 10 10 PHE HA H 4.18 0.03 1 69 10 10 PHE HB2 H 3.05 0.03 2 70 10 10 PHE HD1 H 6.84 0.03 3 71 10 10 PHE HD2 H 6.84 0.03 3 72 10 10 PHE HE1 H 6.98 0.03 3 73 10 10 PHE HE2 H 6.98 0.03 3 74 10 10 PHE HZ H 7.15 0.03 1 75 10 10 PHE C C 177.6 0.3 1 76 10 10 PHE CA C 61.2 0.3 1 77 10 10 PHE CB C 38.4 0.3 1 78 10 10 PHE CD1 C 131.6 0.3 3 79 10 10 PHE CD2 C 131.6 0.3 3 80 10 10 PHE CE1 C 130.3 0.3 3 81 10 10 PHE CE2 C 130.3 0.3 3 82 10 10 PHE CZ C 130.9 0.3 1 83 10 10 PHE N N 121.5 0.3 1 84 11 11 PHE H H 8.55 0.03 1 85 11 11 PHE HA H 4.05 0.03 1 86 11 11 PHE HB2 H 3.12 0.03 2 87 11 11 PHE HB3 H 3.26 0.03 2 88 11 11 PHE HD1 H 7.46 0.03 3 89 11 11 PHE HD2 H 7.46 0.03 3 90 11 11 PHE HE1 H 7.41 0.03 3 91 11 11 PHE HE2 H 7.41 0.03 3 92 11 11 PHE HZ H 7.34 0.03 1 93 11 11 PHE C C 179.2 0.3 1 94 11 11 PHE CA C 61.8 0.3 1 95 11 11 PHE CB C 37.4 0.3 1 96 11 11 PHE CD1 C 131.2 0.3 3 97 11 11 PHE CD2 C 131.2 0.3 3 98 11 11 PHE CE1 C 130.3 0.3 3 99 11 11 PHE CE2 C 130.3 0.3 3 100 11 11 PHE N N 117.4 0.3 1 101 12 12 GLU H H 7.99 0.03 1 102 12 12 GLU HA H 4.07 0.03 1 103 12 12 GLU HB2 H 2.17 0.03 2 104 12 12 GLU HB3 H 2.08 0.03 2 105 12 12 GLU HG2 H 2.46 0.03 2 106 12 12 GLU HG3 H 2.24 0.03 2 107 12 12 GLU C C 180 0.3 1 108 12 12 GLU CA C 59.5 0.3 1 109 12 12 GLU CB C 28.9 0.3 1 110 12 12 GLU CG C 36.1 0.3 1 111 12 12 GLU N N 120.8 0.3 1 112 13 13 GLN H H 7.78 0.03 1 113 13 13 GLN HA H 4.1 0.03 1 114 13 13 GLN HB2 H 1.93 0.03 2 115 13 13 GLN HB3 H 1.93 0.03 2 116 13 13 GLN HE21 H 7.28 0.03 2 117 13 13 GLN HE22 H 6.78 0.03 2 118 13 13 GLN HG2 H 2.34 0.03 2 119 13 13 GLN HG3 H 2.51 0.03 2 120 13 13 GLN C C 179.4 0.3 1 121 13 13 GLN CA C 58.6 0.3 1 122 13 13 GLN CB C 28.2 0.3 1 123 13 13 GLN CG C 34.1 0.3 1 124 13 13 GLN N N 120.4 0.3 1 125 14 14 VAL H H 8.09 0.03 1 126 14 14 VAL HA H 3.26 0.03 1 127 14 14 VAL HB H 2.08 0.03 1 128 14 14 VAL HG1 H 0.85 0.03 1 129 14 14 VAL HG2 H 0.31 0.03 1 130 14 14 VAL C C 177.8 0.3 1 131 14 14 VAL CA C 66.3 0.3 1 132 14 14 VAL CB C 31.1 0.3 1 133 14 14 VAL CG1 C 20.7 0.3 1 134 14 14 VAL CG2 C 22.6 0.3 1 135 14 14 VAL N N 119.5 0.3 1 136 15 15 GLU H H 7.85 0.03 1 137 15 15 GLU HA H 4.01 0.03 1 138 15 15 GLU HB2 H 2.03 0.03 2 139 15 15 GLU HG2 H 2.29 0.03 2 140 15 15 GLU C C 179.8 0.3 1 141 15 15 GLU CA C 58.6 0.3 1 142 15 15 GLU CB C 28.7 0.3 1 143 15 15 GLU CG C 35.6 0.3 1 144 15 15 GLU N N 118.5 0.3 1 145 16 16 GLU H H 7.76 0.03 1 146 16 16 GLU HA H 3.74 0.03 1 147 16 16 GLU HB2 H 1.99 0.03 2 148 16 16 GLU HG2 H 1.68 0.03 2 149 16 16 GLU HG3 H 2.01 0.03 2 150 16 16 GLU C C 179.2 0.3 1 151 16 16 GLU CA C 58.8 0.3 1 152 16 16 GLU CB C 29.5 0.3 1 153 16 16 GLU CG C 36.5 0.3 1 154 16 16 GLU N N 121.1 0.3 1 155 17 17 ILE H H 8.14 0.03 1 156 17 17 ILE HA H 3.5 0.03 1 157 17 17 ILE HB H 1.87 0.03 1 158 17 17 ILE HD1 H 0.72 0.03 1 159 17 17 ILE HG12 H 0.71 0.03 2 160 17 17 ILE HG13 H 2 0.03 2 161 17 17 ILE HG2 H 0.93 0.03 1 162 17 17 ILE C C 178 0.3 1 163 17 17 ILE CA C 65.7 0.3 1 164 17 17 ILE CB C 37.2 0.3 1 165 17 17 ILE CD1 C 14.7 0.3 1 166 17 17 ILE CG1 C 29.5 0.3 1 167 17 17 ILE CG2 C 19.2 0.3 1 168 17 17 ILE N N 118.7 0.3 1 169 18 18 ARG H H 8.78 0.03 1 170 18 18 ARG HA H 3.7 0.03 1 171 18 18 ARG HB2 H 1.92 0.03 2 172 18 18 ARG HB3 H 1.85 0.03 2 173 18 18 ARG HD2 H 3.18 0.03 2 174 18 18 ARG HG2 H 1.57 0.03 2 175 18 18 ARG HG3 H 1.67 0.03 2 176 18 18 ARG C C 179 0.3 1 177 18 18 ARG CA C 59.9 0.3 1 178 18 18 ARG CB C 29.5 0.3 1 179 18 18 ARG CD C 42.6 0.3 1 180 18 18 ARG CG C 27.2 0.3 1 181 18 18 ARG N N 120.3 0.3 1 182 19 19 GLY H H 7.91 0.03 1 183 19 19 GLY HA2 H 3.88 0.03 2 184 19 19 GLY C C 177.6 0.3 1 185 19 19 GLY CA C 46.7 0.3 1 186 19 19 GLY N N 104.6 0.3 1 187 20 20 PHE H H 7.86 0.03 1 188 20 20 PHE HA H 4.63 0.03 1 189 20 20 PHE HB2 H 2.91 0.03 2 190 20 20 PHE HD1 H 7.07 0.03 3 191 20 20 PHE HD2 H 7.07 0.03 3 192 20 20 PHE HE1 H 7.26 0.03 3 193 20 20 PHE HE2 H 7.26 0.03 3 194 20 20 PHE HZ H 7.34 0.03 1 195 20 20 PHE C C 178.6 0.3 1 196 20 20 PHE CA C 58.6 0.3 1 197 20 20 PHE CB C 38.4 0.3 1 198 20 20 PHE CD1 C 129.4 0.3 3 199 20 20 PHE CD2 C 129.4 0.3 3 200 20 20 PHE N N 121.8 0.3 1 201 21 21 ILE H H 8.53 0.03 1 202 21 21 ILE HA H 3.65 0.03 1 203 21 21 ILE HB H 2.05 0.03 1 204 21 21 ILE HD1 H 0.93 0.03 1 205 21 21 ILE HG2 H 1.04 0.03 1 206 21 21 ILE C C 177.9 0.3 1 207 21 21 ILE CA C 66.4 0.3 1 208 21 21 ILE CB C 37.4 0.3 1 209 21 21 ILE CD1 C 15.3 0.3 1 210 21 21 ILE CG2 C 18.3 0.3 1 211 21 21 ILE N N 120.4 0.3 1 212 22 22 ASP H H 8.36 0.03 1 213 22 22 ASP HB2 H 2.68 0.03 2 214 22 22 ASP HB3 H 2.83 0.03 2 215 22 22 ASP C C 179.5 0.3 1 216 22 22 ASP CA C 57.4 0.3 1 217 22 22 ASP CB C 39.7 0.3 1 218 22 22 ASP N N 119.9 0.3 1 219 23 23 LYS H H 7.97 0.03 1 220 23 23 LYS HA H 4.19 0.03 1 221 23 23 LYS HB2 H 2.09 0.03 2 222 23 23 LYS HB3 H 2.2 0.03 2 223 23 23 LYS HD2 H 1.76 0.03 2 224 23 23 LYS HE2 H 3 0.03 2 225 23 23 LYS HG2 H 1.54 0.03 2 226 23 23 LYS C C 179.4 0.3 1 227 23 23 LYS CA C 58.2 0.3 1 228 23 23 LYS CB C 31.3 0.3 1 229 23 23 LYS CD C 28.2 0.3 1 230 23 23 LYS CE C 41.9 0.3 1 231 23 23 LYS CG C 24.3 0.3 1 232 23 23 LYS N N 121.9 0.3 1 233 24 24 ILE H H 8.29 0.03 1 234 24 24 ILE HA H 3.52 0.03 1 235 24 24 ILE HB H 2.19 0.03 1 236 24 24 ILE HD1 H 0.97 0.03 1 237 24 24 ILE HG2 H 0.84 0.03 1 238 24 24 ILE C C 178.1 0.3 1 239 24 24 ILE CA C 66.4 0.3 1 240 24 24 ILE CB C 37.6 0.3 1 241 24 24 ILE CD1 C 13.8 0.3 1 242 24 24 ILE CG2 C 18.7 0.3 1 243 24 24 ILE N N 119.9 0.3 1 244 25 25 ALA H H 8.44 0.03 1 245 25 25 ALA HA H 3.92 0.03 1 246 25 25 ALA HB H 1.62 0.03 1 247 25 25 ALA C C 181.2 0.3 1 248 25 25 ALA CA C 55.6 0.3 1 249 25 25 ALA CB C 17.7 0.3 1 250 25 25 ALA N N 120.8 0.3 1 251 26 26 GLU H H 8.22 0.03 1 252 26 26 GLU HA H 4.09 0.03 1 253 26 26 GLU HB2 H 2.24 0.03 2 254 26 26 GLU HB3 H 2.16 0.03 2 255 26 26 GLU HG2 H 2.28 0.03 2 256 26 26 GLU HG3 H 2.45 0.03 2 257 26 26 GLU C C 180 0.3 1 258 26 26 GLU CA C 59 0.3 1 259 26 26 GLU CB C 29.3 0.3 1 260 26 26 GLU CG C 35.9 0.3 1 261 26 26 GLU N N 119.3 0.3 1 262 27 27 ASN H H 8.49 0.03 1 263 27 27 ASN HA H 4.54 0.03 1 264 27 27 ASN HB2 H 2.39 0.03 2 265 27 27 ASN HB3 H 3.03 0.03 2 266 27 27 ASN HD21 H 7.32 0.03 2 267 27 27 ASN HD22 H 6.38 0.03 2 268 27 27 ASN C C 178.1 0.3 1 269 27 27 ASN CA C 55.6 0.3 1 270 27 27 ASN CB C 37.8 0.3 1 271 27 27 ASN N N 120 0.3 1 272 28 28 VAL H H 9.05 0.03 1 273 28 28 VAL HA H 3.37 0.03 1 274 28 28 VAL HB H 2.38 0.03 1 275 28 28 VAL HG1 H 0.99 0.03 1 276 28 28 VAL HG2 H 0.99 0.03 1 277 28 28 VAL C C 177.9 0.3 1 278 28 28 VAL CA C 67 0.3 1 279 28 28 VAL CB C 30.6 0.3 1 280 28 28 VAL CG1 C 21.5 0.3 1 281 28 28 VAL CG2 C 23.7 0.3 1 282 28 28 VAL N N 122.9 0.3 1 283 29 29 GLU H H 7.53 0.03 1 284 29 29 GLU HA H 4 0.03 1 285 29 29 GLU HB2 H 2.27 0.03 2 286 29 29 GLU HB3 H 2.17 0.03 2 287 29 29 GLU HG2 H 2.42 0.03 2 288 29 29 GLU C C 179.8 0.3 1 289 29 29 GLU CA C 58.6 0.3 1 290 29 29 GLU CB C 28.5 0.3 1 291 29 29 GLU CG C 35.6 0.3 1 292 29 29 GLU N N 118 0.3 1 293 30 30 GLU H H 7.72 0.03 1 294 30 30 GLU HA H 4.1 0.03 1 295 30 30 GLU HB2 H 2.23 0.03 2 296 30 30 GLU HB3 H 2.15 0.03 2 297 30 30 GLU HG2 H 2.27 0.03 2 298 30 30 GLU HG3 H 2.41 0.03 2 299 30 30 GLU C C 179.3 0.3 1 300 30 30 GLU CA C 58.8 0.3 1 301 30 30 GLU CB C 28.9 0.3 1 302 30 30 GLU CG C 35.9 0.3 1 303 30 30 GLU N N 120 0.3 1 304 31 31 VAL H H 8.73 0.03 1 305 31 31 VAL HA H 3.06 0.03 1 306 31 31 VAL HB H 2.4 0.03 1 307 31 31 VAL HG1 H 0.33 0.03 1 308 31 31 VAL HG2 H 0.93 0.03 1 309 31 31 VAL C C 177.2 0.3 1 310 31 31 VAL CA C 67 0.3 1 311 31 31 VAL CB C 30.1 0.3 1 312 31 31 VAL CG1 C 20.9 0.3 1 313 31 31 VAL CG2 C 24.4 0.3 1 314 31 31 VAL N N 122.7 0.3 1 315 32 32 LYS H H 7.75 0.03 1 316 32 32 LYS HA H 3.83 0.03 1 317 32 32 LYS HB2 H 1.87 0.03 2 318 32 32 LYS HB3 H 2.06 0.03 2 319 32 32 LYS HD2 H 1.72 0.03 2 320 32 32 LYS HE2 H 2.81 0.03 2 321 32 32 LYS HE3 H 3.01 0.03 2 322 32 32 LYS HG2 H 1.57 0.03 2 323 32 32 LYS C C 180.7 0.3 1 324 32 32 LYS CA C 60.3 0.3 1 325 32 32 LYS CB C 32.4 0.3 1 326 32 32 LYS CD C 30.2 0.3 1 327 32 32 LYS CE C 41.9 0.3 1 328 32 32 LYS CG C 26.1 0.3 1 329 32 32 LYS N N 116.8 0.3 1 330 33 33 ARG H H 7.4 0.03 1 331 33 33 ARG HA H 4.11 0.03 1 332 33 33 ARG HB2 H 1.88 0.03 2 333 33 33 ARG HB3 H 2.09 0.03 2 334 33 33 ARG HD2 H 3.3 0.03 2 335 33 33 ARG HD3 H 3.2 0.03 2 336 33 33 ARG HG2 H 1.89 0.03 2 337 33 33 ARG HG3 H 1.61 0.03 2 338 33 33 ARG C C 180.5 0.3 1 339 33 33 ARG CA C 59.5 0.3 1 340 33 33 ARG CB C 29.9 0.3 1 341 33 33 ARG CD C 43.2 0.3 1 342 33 33 ARG CG C 28.5 0.3 1 343 33 33 ARG N N 118.4 0.3 1 344 34 34 LYS H H 8.37 0.03 1 345 34 34 LYS HE2 H 2.88 0.03 2 346 34 34 LYS HG2 H 1.38 0.03 2 347 34 34 LYS HG3 H 1.65 0.03 2 348 34 34 LYS C C 179.1 0.3 1 349 34 34 LYS CA C 58.2 0.3 1 350 34 34 LYS CB C 31.3 0.3 1 351 34 34 LYS CE C 42.3 0.3 1 352 34 34 LYS CG C 25 0.3 1 353 34 34 LYS N N 121.1 0.3 1 354 35 35 HIS H H 8.97 0.03 1 355 35 35 HIS HA H 4.01 0.03 1 356 35 35 HIS HB2 H 2.74 0.03 2 357 35 35 HIS HB3 H 3.26 0.03 2 358 35 35 HIS HD2 H 5.68 0.03 1 359 35 35 HIS C C 178.3 0.3 1 360 35 35 HIS CA C 57.3 0.3 1 361 35 35 HIS CB C 31.3 0.3 1 362 35 35 HIS CD2 C 112.9 0.3 1 363 35 35 HIS N N 118.4 0.3 1 364 36 36 SER H H 7.8 0.03 1 365 36 36 SER HA H 4.17 0.03 1 366 36 36 SER HB2 H 4.01 0.03 2 367 36 36 SER C C 177.3 0.3 1 368 36 36 SER CA C 61.4 0.3 1 369 36 36 SER CB C 62.2 0.3 1 370 36 36 SER N N 111.8 0.3 1 371 37 37 ALA H H 7.73 0.03 1 372 37 37 ALA HA H 4.21 0.03 1 373 37 37 ALA HB H 1.59 0.03 1 374 37 37 ALA C C 181.3 0.3 1 375 37 37 ALA CA C 54.4 0.3 1 376 37 37 ALA CB C 18.2 0.3 1 377 37 37 ALA N N 123.6 0.3 1 378 38 38 ILE H H 8.7 0.03 1 379 38 38 ILE HA H 3.79 0.03 1 380 38 38 ILE HB H 2.08 0.03 1 381 38 38 ILE HD1 H 0.82 0.03 1 382 38 38 ILE HG12 H 0.92 0.03 2 383 38 38 ILE HG13 H 1.91 0.03 2 384 38 38 ILE HG2 H 1.02 0.03 1 385 38 38 ILE C C 178.4 0.3 1 386 38 38 ILE CA C 64.6 0.3 1 387 38 38 ILE CB C 38.2 0.3 1 388 38 38 ILE CD1 C 14.7 0.3 1 389 38 38 ILE CG1 C 30.6 0.3 1 390 38 38 ILE CG2 C 17.7 0.3 1 391 38 38 ILE N N 120.5 0.3 1 392 39 39 LEU H H 8.16 0.03 1 393 39 39 LEU HA H 4.15 0.03 1 394 39 39 LEU HB2 H 1.94 0.03 2 395 39 39 LEU HD1 H 0.98 0.03 2 396 39 39 LEU HD2 H 0.81 0.03 2 397 39 39 LEU C C 178.2 0.3 1 398 39 39 LEU CA C 56.2 0.3 1 399 39 39 LEU CB C 41.5 0.3 1 400 39 39 LEU CD1 C 26.5 0.3 2 401 39 39 LEU CD2 C 22.4 0.3 2 402 39 39 LEU N N 119.5 0.3 1 403 40 40 ALA H H 7.49 0.03 1 404 40 40 ALA HA H 4.24 0.03 1 405 40 40 ALA HB H 1.53 0.03 1 406 40 40 ALA C C 177.6 0.3 1 407 40 40 ALA CA C 52.9 0.3 1 408 40 40 ALA CB C 18.9 0.3 1 409 40 40 ALA N N 119.6 0.3 1 410 41 41 SER H H 7.25 0.03 1 411 41 41 SER HA H 4.96 0.03 1 412 41 41 SER HB2 H 3.68 0.03 2 413 41 41 SER HB3 H 3.94 0.03 2 414 41 41 SER CA C 54.9 0.3 1 415 41 41 SER CB C 64.8 0.3 1 416 41 41 SER N N 112.6 0.3 1 417 42 42 PRO HA H 4.42 0.03 1 418 42 42 PRO HB2 H 2.28 0.03 2 419 42 42 PRO HD2 H 3.85 0.03 2 420 42 42 PRO HG2 H 1.99 0.03 2 421 42 42 PRO C C 176.1 0.3 1 422 42 42 PRO CA C 63.6 0.3 1 423 42 42 PRO CB C 31.8 0.3 1 424 42 42 PRO CD C 50.3 0.3 1 425 42 42 PRO CG C 26.7 0.3 1 426 43 43 ASN H H 7.77 0.03 1 427 43 43 ASN HA H 5.09 0.03 1 428 43 43 ASN HB2 H 2.56 0.03 2 429 43 43 ASN HB3 H 2.69 0.03 2 430 43 43 ASN HD21 H 7.55 0.03 2 431 43 43 ASN HD22 H 6.86 0.03 2 432 43 43 ASN CA C 50.3 0.3 1 433 43 43 ASN CB C 38.9 0.3 1 434 43 43 ASN N N 113.5 0.3 1 435 44 44 PRO HA H 4.4 0.03 1 436 44 44 PRO HB2 H 1.82 0.03 2 437 44 44 PRO HB3 H 2.4 0.03 2 438 44 44 PRO HD2 H 3.68 0.03 2 439 44 44 PRO HG2 H 2 0.03 2 440 44 44 PRO HG3 H 2.19 0.03 2 441 44 44 PRO C C 176.4 0.3 1 442 44 44 PRO CA C 62.5 0.3 1 443 44 44 PRO CB C 32 0.3 1 444 44 44 PRO CD C 49.7 0.3 1 445 44 44 PRO CG C 27.4 0.3 1 446 45 45 ASP H H 8.42 0.03 1 447 45 45 ASP HA H 4.56 0.03 1 448 45 45 ASP HB2 H 2.81 0.03 2 449 45 45 ASP C C 176.7 0.3 1 450 45 45 ASP CA C 53.8 0.3 1 451 45 45 ASP CB C 41.7 0.3 1 452 45 45 ASP N N 122 0.3 1 453 46 46 GLU H H 8.74 0.03 1 454 46 46 GLU HA H 3.94 0.03 1 455 46 46 GLU HB2 H 2.01 0.03 2 456 46 46 GLU HG2 H 2.4 0.03 2 457 46 46 GLU C C 179.1 0.3 1 458 46 46 GLU CA C 59 0.3 1 459 46 46 GLU CB C 29.3 0.3 1 460 46 46 GLU CG C 35.9 0.3 1 461 46 46 GLU N N 123 0.3 1 462 47 47 LYS H H 8.42 0.03 1 463 47 47 LYS HA H 4.13 0.03 1 464 47 47 LYS HB2 H 1.89 0.03 2 465 47 47 LYS HD2 H 1.66 0.03 2 466 47 47 LYS HD3 H 1.74 0.03 2 467 47 47 LYS HE2 H 2.8 0.03 2 468 47 47 LYS HE3 H 2.99 0.03 2 469 47 47 LYS HG2 H 1.41 0.03 2 470 47 47 LYS HG3 H 1.46 0.03 2 471 47 47 LYS C C 178.8 0.3 1 472 47 47 LYS CA C 58.6 0.3 1 473 47 47 LYS CB C 31.3 0.3 1 474 47 47 LYS CD C 28.4 0.3 1 475 47 47 LYS CE C 41.9 0.3 1 476 47 47 LYS CG C 24.3 0.3 1 477 47 47 LYS N N 119.9 0.3 1 478 48 48 THR H H 7.79 0.03 1 479 48 48 THR HA H 3.99 0.03 1 480 48 48 THR HB H 4.04 0.03 1 481 48 48 THR HG2 H 1.28 0.03 1 482 48 48 THR C C 177 0.3 1 483 48 48 THR CA C 66.1 0.3 1 484 48 48 THR CB C 67.4 0.3 1 485 48 48 THR CG2 C 22.6 0.3 1 486 48 48 THR N N 116.5 0.3 1 487 49 49 LYS H H 7.48 0.03 1 488 49 49 LYS HA H 3.9 0.03 1 489 49 49 LYS HB2 H 1.97 0.03 2 490 49 49 LYS HD2 H 1.7 0.03 2 491 49 49 LYS HD3 H 1.65 0.03 2 492 49 49 LYS HE2 H 2.82 0.03 2 493 49 49 LYS HE3 H 2.93 0.03 2 494 49 49 LYS HG2 H 1.39 0.03 2 495 49 49 LYS HG3 H 1.61 0.03 2 496 49 49 LYS C C 179.4 0.3 1 497 49 49 LYS CA C 60.1 0.3 1 498 49 49 LYS CB C 31.6 0.3 1 499 49 49 LYS CD C 29.3 0.3 1 500 49 49 LYS CE C 41.2 0.3 1 501 49 49 LYS CG C 25 0.3 1 502 49 49 LYS N N 119.6 0.3 1 503 50 50 GLU H H 8.23 0.03 1 504 50 50 GLU HA H 4.08 0.03 1 505 50 50 GLU HB2 H 2.16 0.03 2 506 50 50 GLU HB3 H 2.24 0.03 2 507 50 50 GLU HG2 H 2.46 0.03 2 508 50 50 GLU HG3 H 2.26 0.03 2 509 50 50 GLU C C 180 0.3 1 510 50 50 GLU CA C 59.2 0.3 1 511 50 50 GLU CB C 29.3 0.3 1 512 50 50 GLU CG C 35.9 0.3 1 513 50 50 GLU N N 121 0.3 1 514 51 51 GLU H H 8.51 0.03 1 515 51 51 GLU HA H 4.08 0.03 1 516 51 51 GLU HB2 H 2.16 0.03 2 517 51 51 GLU HB3 H 2.24 0.03 2 518 51 51 GLU HG2 H 2.26 0.03 2 519 51 51 GLU HG3 H 2.45 0.03 2 520 51 51 GLU C C 180.6 0.3 1 521 51 51 GLU CA C 59 0.3 1 522 51 51 GLU CB C 29.1 0.3 1 523 51 51 GLU CG C 35.9 0.3 1 524 51 51 GLU N N 120 0.3 1 525 52 52 LEU H H 8.1 0.03 1 526 52 52 LEU HA H 4.08 0.03 1 527 52 52 LEU HB2 H 1.39 0.03 2 528 52 52 LEU HB3 H 2.25 0.03 2 529 52 52 LEU HD1 H 1.04 0.03 1 530 52 52 LEU HD2 H 0.92 0.03 1 531 52 52 LEU C C 178 0.3 1 532 52 52 LEU CA C 57.9 0.3 1 533 52 52 LEU CB C 41 0.3 1 534 52 52 LEU CD1 C 26.7 0.3 1 535 52 52 LEU CD2 C 23.9 0.3 1 536 52 52 LEU N N 120 0.3 1 537 53 53 GLU H H 7.98 0.03 1 538 53 53 GLU HA H 4.06 0.03 1 539 53 53 GLU HB2 H 2.24 0.03 2 540 53 53 GLU HB3 H 2.17 0.03 2 541 53 53 GLU HG2 H 2.26 0.03 2 542 53 53 GLU HG3 H 2.45 0.03 2 543 53 53 GLU C C 180.1 0.3 1 544 53 53 GLU CA C 59.4 0.3 1 545 53 53 GLU CB C 28.7 0.3 1 546 53 53 GLU CG C 36.1 0.3 1 547 53 53 GLU N N 119.5 0.3 1 548 54 54 GLU H H 8.21 0.03 1 549 54 54 GLU HA H 4.09 0.03 1 550 54 54 GLU HB2 H 2.16 0.03 2 551 54 54 GLU HG2 H 2.28 0.03 2 552 54 54 GLU HG3 H 2.46 0.03 2 553 54 54 GLU C C 179.6 0.3 1 554 54 54 GLU CA C 58.8 0.3 1 555 54 54 GLU CB C 28.9 0.3 1 556 54 54 GLU CG C 35.7 0.3 1 557 54 54 GLU N N 120.3 0.3 1 558 55 55 LEU H H 8.02 0.03 1 559 55 55 LEU HA H 4.05 0.03 1 560 55 55 LEU HB2 H 1.24 0.03 2 561 55 55 LEU HB3 H 2.05 0.03 2 562 55 55 LEU HD1 H 0.81 0.03 1 563 55 55 LEU HD2 H 0.91 0.03 1 564 55 55 LEU HG H 1.77 0.03 1 565 55 55 LEU C C 179.8 0.3 1 566 55 55 LEU CA C 58.1 0.3 1 567 55 55 LEU CB C 42.8 0.3 1 568 55 55 LEU CD1 C 25.6 0.3 1 569 55 55 LEU CD2 C 23.9 0.3 1 570 55 55 LEU CG C 27.1 0.3 1 571 55 55 LEU N N 121.3 0.3 1 572 56 56 MET H H 8.41 0.03 1 573 56 56 MET HA H 3.91 0.03 1 574 56 56 MET HB2 H 2.19 0.03 2 575 56 56 MET HB3 H 2.25 0.03 2 576 56 56 MET HE H 2.18 0.03 1 577 56 56 MET HG2 H 2.83 0.03 2 578 56 56 MET C C 180 0.3 1 579 56 56 MET CA C 59.7 0.3 1 580 56 56 MET CB C 32.4 0.3 1 581 56 56 MET CE C 16 0.3 1 582 56 56 MET CG C 30.9 0.3 1 583 56 56 MET N N 116.8 0.3 1 584 57 57 SER H H 8.26 0.03 1 585 57 57 SER HA H 4.31 0.03 1 586 57 57 SER HB2 H 4.08 0.03 2 587 57 57 SER C C 177 0.3 1 588 57 57 SER CA C 61.5 0.3 1 589 57 57 SER CB C 62.2 0.3 1 590 57 57 SER N N 116.7 0.3 1 591 58 58 ASP H H 8.42 0.03 1 592 58 58 ASP HA H 4.46 0.03 1 593 58 58 ASP HB2 H 2.65 0.03 2 594 58 58 ASP HB3 H 2.82 0.03 2 595 58 58 ASP C C 180.6 0.3 1 596 58 58 ASP CA C 57.8 0.3 1 597 58 58 ASP CB C 41 0.3 1 598 58 58 ASP N N 123 0.3 1 599 59 59 ILE H H 8.64 0.03 1 600 59 59 ILE HA H 3.52 0.03 1 601 59 59 ILE HB H 1.73 0.03 1 602 59 59 ILE HD1 H 0.33 0.03 1 603 59 59 ILE HG12 H 0.73 0.03 2 604 59 59 ILE HG13 H 1.84 0.03 2 605 59 59 ILE HG2 H 0.37 0.03 1 606 59 59 ILE C C 177.1 0.3 1 607 59 59 ILE CA C 66.3 0.3 1 608 59 59 ILE CB C 37.6 0.3 1 609 59 59 ILE CD1 C 13.8 0.3 1 610 59 59 ILE CG1 C 30.7 0.3 1 611 59 59 ILE CG2 C 16.4 0.3 1 612 59 59 ILE N N 122.1 0.3 1 613 60 60 LYS H H 7.71 0.03 1 614 60 60 LYS HA H 3.9 0.03 1 615 60 60 LYS HB2 H 2.03 0.03 2 616 60 60 LYS HD2 H 1.69 0.03 2 617 60 60 LYS HG2 H 1.38 0.03 2 618 60 60 LYS HG3 H 1.53 0.03 2 619 60 60 LYS C C 179 0.3 1 620 60 60 LYS CA C 60.1 0.3 1 621 60 60 LYS CB C 31.8 0.3 1 622 60 60 LYS CD C 29.3 0.3 1 623 60 60 LYS CG C 24.8 0.3 1 624 60 60 LYS N N 119.3 0.3 1 625 61 61 LYS H H 8.39 0.03 1 626 61 61 LYS HA H 4.05 0.03 1 627 61 61 LYS HB2 H 1.87 0.03 2 628 61 61 LYS HB3 H 1.97 0.03 2 629 61 61 LYS HD2 H 1.69 0.03 2 630 61 61 LYS HE2 H 2.94 0.03 2 631 61 61 LYS HG2 H 1.42 0.03 2 632 61 61 LYS HG3 H 1.63 0.03 2 633 61 61 LYS C C 180.7 0.3 1 634 61 61 LYS CA C 59.4 0.3 1 635 61 61 LYS CB C 32.4 0.3 1 636 61 61 LYS CD C 29.3 0.3 1 637 61 61 LYS CE C 41.5 0.3 1 638 61 61 LYS CG C 25.2 0.3 1 639 61 61 LYS N N 118.3 0.3 1 640 62 62 THR H H 8.57 0.03 1 641 62 62 THR HA H 3.54 0.03 1 642 62 62 THR HB H 4.04 0.03 1 643 62 62 THR HG2 H 1.15 0.03 1 644 62 62 THR C C 176.2 0.3 1 645 62 62 THR CA C 66.8 0.3 1 646 62 62 THR CB C 67.2 0.3 1 647 62 62 THR CG2 C 22.4 0.3 1 648 62 62 THR N N 117.8 0.3 1 649 63 63 ALA H H 9.35 0.03 1 650 63 63 ALA HA H 4.09 0.03 1 651 63 63 ALA HB H 1.72 0.03 1 652 63 63 ALA C C 179.5 0.3 1 653 63 63 ALA CA C 55.4 0.3 1 654 63 63 ALA CB C 17.9 0.3 1 655 63 63 ALA N N 125.3 0.3 1 656 64 64 ASN H H 8.09 0.03 1 657 64 64 ASN HA H 4.52 0.03 1 658 64 64 ASN HB2 H 2.8 0.03 2 659 64 64 ASN HB3 H 2.92 0.03 2 660 64 64 ASN C C 178.5 0.3 1 661 64 64 ASN CA C 56.6 0.3 1 662 64 64 ASN CB C 38.3 0.3 1 663 64 64 ASN N N 116 0.3 1 664 65 65 LYS H H 7.46 0.03 1 665 65 65 LYS HA H 4.06 0.03 1 666 65 65 LYS HB2 H 1.56 0.03 2 667 65 65 LYS HB3 H 1.69 0.03 2 668 65 65 LYS HD2 H 1.2 0.03 2 669 65 65 LYS HD3 H 1.39 0.03 2 670 65 65 LYS HE2 H 2.43 0.03 2 671 65 65 LYS HE3 H 2.71 0.03 2 672 65 65 LYS HG2 H 1.16 0.03 2 673 65 65 LYS HG3 H 1.47 0.03 2 674 65 65 LYS C C 179 0.3 1 675 65 65 LYS CA C 59.2 0.3 1 676 65 65 LYS CB C 31.8 0.3 1 677 65 65 LYS CD C 29.3 0.3 1 678 65 65 LYS CE C 41.2 0.3 1 679 65 65 LYS CG C 24.6 0.3 1 680 65 65 LYS N N 121.1 0.3 1 681 66 66 VAL H H 8.23 0.03 1 682 66 66 VAL HA H 3.21 0.03 1 683 66 66 VAL HB H 1.72 0.03 1 684 66 66 VAL HG1 H 0.05 0.03 1 685 66 66 VAL HG2 H 1.02 0.03 1 686 66 66 VAL C C 177.4 0.3 1 687 66 66 VAL CA C 67.2 0.3 1 688 66 66 VAL CB C 30.9 0.3 1 689 66 66 VAL CG1 C 20.5 0.3 1 690 66 66 VAL CG2 C 25.2 0.3 1 691 66 66 VAL N N 119.2 0.3 1 692 67 67 ARG H H 8.41 0.03 1 693 67 67 ARG HA H 3.74 0.03 1 694 67 67 ARG HB2 H 2 0.03 2 695 67 67 ARG HD2 H 3.31 0.03 2 696 67 67 ARG HG2 H 2.02 0.03 2 697 67 67 ARG C C 179.3 0.3 1 698 67 67 ARG CA C 59.7 0.3 1 699 67 67 ARG CB C 29.5 0.3 1 700 67 67 ARG CD C 43 0.3 1 701 67 67 ARG CG C 28.5 0.3 1 702 67 67 ARG N N 118 0.3 1 703 68 68 SER H H 7.98 0.03 1 704 68 68 SER HA H 4.22 0.03 1 705 68 68 SER HB2 H 4.03 0.03 2 706 68 68 SER C C 177.8 0.3 1 707 68 68 SER CA C 61.4 0.3 1 708 68 68 SER CB C 62.7 0.3 1 709 68 68 SER N N 113.6 0.3 1 710 69 69 LYS H H 8.25 0.03 1 711 69 69 LYS HA H 4.08 0.03 1 712 69 69 LYS HB2 H 1.89 0.03 2 713 69 69 LYS HD2 H 1.69 0.03 2 714 69 69 LYS HE2 H 2.95 0.03 2 715 69 69 LYS HG2 H 1.46 0.03 2 716 69 69 LYS HG3 H 1.57 0.03 2 717 69 69 LYS C C 180.4 0.3 1 718 69 69 LYS CA C 59.2 0.3 1 719 69 69 LYS CB C 31.9 0.3 1 720 69 69 LYS CD C 28.9 0.3 1 721 69 69 LYS CE C 41.5 0.3 1 722 69 69 LYS CG C 24.8 0.3 1 723 69 69 LYS N N 122.7 0.3 1 724 70 70 LEU H H 8.88 0.03 1 725 70 70 LEU HA H 4.14 0.03 1 726 70 70 LEU HB2 H 1.49 0.03 2 727 70 70 LEU HD1 H 0.6 0.03 1 728 70 70 LEU HD2 H 0.78 0.03 1 729 70 70 LEU C C 179.8 0.3 1 730 70 70 LEU CA C 57.9 0.3 1 731 70 70 LEU CB C 40.8 0.3 1 732 70 70 LEU CD1 C 26.1 0.3 1 733 70 70 LEU CD2 C 22.9 0.3 1 734 70 70 LEU N N 119.7 0.3 1 735 71 71 LYS H H 8.22 0.03 1 736 71 71 LYS HA H 4.21 0.03 1 737 71 71 LYS HB2 H 2.03 0.03 2 738 71 71 LYS HD2 H 1.76 0.03 2 739 71 71 LYS HE2 H 2.95 0.03 2 740 71 71 LYS HG2 H 1.55 0.03 2 741 71 71 LYS C C 179.2 0.3 1 742 71 71 LYS CA C 58.3 0.3 1 743 71 71 LYS CB C 30.7 0.3 1 744 71 71 LYS CD C 28 0.3 1 745 71 71 LYS CE C 41.5 0.3 1 746 71 71 LYS CG C 24.3 0.3 1 747 71 71 LYS N N 120.3 0.3 1 748 72 72 SER H H 7.92 0.03 1 749 72 72 SER HA H 4.34 0.03 1 750 72 72 SER HB2 H 4.08 0.03 2 751 72 72 SER C C 178.4 0.3 1 752 72 72 SER CA C 61.6 0.3 1 753 72 72 SER CB C 62.2 0.3 1 754 72 72 SER N N 115.2 0.3 1 755 73 73 ILE H H 7.86 0.03 1 756 73 73 ILE HA H 3.93 0.03 1 757 73 73 ILE HB H 2.16 0.03 1 758 73 73 ILE HD1 H 0.75 0.03 1 759 73 73 ILE HG12 H 1.29 0.03 2 760 73 73 ILE HG13 H 1.97 0.03 2 761 73 73 ILE HG2 H 1.08 0.03 1 762 73 73 ILE C C 178.4 0.3 1 763 73 73 ILE CA C 64.8 0.3 1 764 73 73 ILE CB C 38 0.3 1 765 73 73 ILE CD1 C 13.4 0.3 1 766 73 73 ILE CG1 C 28.5 0.3 1 767 73 73 ILE CG2 C 17.5 0.3 1 768 73 73 ILE N N 121.9 0.3 1 769 74 74 GLU H H 8.43 0.03 1 770 74 74 GLU HA H 3.39 0.03 1 771 74 74 GLU HB2 H 2.26 0.03 2 772 74 74 GLU HG2 H 2.05 0.03 2 773 74 74 GLU C C 178.8 0.3 1 774 74 74 GLU CA C 59.4 0.3 1 775 74 74 GLU CB C 29.5 0.3 1 776 74 74 GLU CG C 35.6 0.3 1 777 74 74 GLU N N 122.7 0.3 1 778 75 75 GLN H H 8.41 0.03 1 779 75 75 GLN HA H 4.12 0.03 1 780 75 75 GLN HB2 H 2.25 0.03 2 781 75 75 GLN HB3 H 2.13 0.03 2 782 75 75 GLN HE21 H 7.53 0.03 2 783 75 75 GLN HE22 H 6.8 0.03 2 784 75 75 GLN HG2 H 2.42 0.03 2 785 75 75 GLN HG3 H 2.57 0.03 2 786 75 75 GLN C C 178.8 0.3 1 787 75 75 GLN CA C 58.4 0.3 1 788 75 75 GLN CB C 28.2 0.3 1 789 75 75 GLN CG C 34.1 0.3 1 790 75 75 GLN N N 117.8 0.3 1 791 76 76 SER H H 7.8 0.03 1 792 76 76 SER HA H 4.32 0.03 1 793 76 76 SER HB2 H 4.08 0.03 2 794 76 76 SER C C 177.2 0.3 1 795 76 76 SER CA C 61 0.3 1 796 76 76 SER CB C 62.3 0.3 1 797 76 76 SER N N 115.6 0.3 1 798 77 77 ILE H H 7.9 0.03 1 799 77 77 ILE HA H 3.56 0.03 1 800 77 77 ILE HB H 1.9 0.03 1 801 77 77 ILE HD1 H 0.63 0.03 1 802 77 77 ILE HG12 H 0.7 0.03 2 803 77 77 ILE HG13 H 1.75 0.03 2 804 77 77 ILE HG2 H 0.82 0.03 1 805 77 77 ILE C C 177.6 0.3 1 806 77 77 ILE CA C 65 0.3 1 807 77 77 ILE CB C 37.6 0.3 1 808 77 77 ILE CD1 C 14.2 0.3 1 809 77 77 ILE CG1 C 29.1 0.3 1 810 77 77 ILE CG2 C 17.4 0.3 1 811 77 77 ILE N N 123 0.3 1 812 78 78 GLU H H 8.03 0.03 1 813 78 78 GLU HA H 4.07 0.03 1 814 78 78 GLU HB2 H 2.09 0.03 2 815 78 78 GLU HG2 H 2.23 0.03 2 816 78 78 GLU HG3 H 2.4 0.03 2 817 78 78 GLU C C 179.8 0.3 1 818 78 78 GLU CA C 58.8 0.3 1 819 78 78 GLU CB C 29.3 0.3 1 820 78 78 GLU CG C 35.9 0.3 1 821 78 78 GLU N N 119.2 0.3 1 822 79 79 GLN H H 7.95 0.03 1 823 79 79 GLN HA H 4.11 0.03 1 824 79 79 GLN HB2 H 2.17 0.03 2 825 79 79 GLN HE21 H 7.47 0.03 2 826 79 79 GLN HE22 H 6.79 0.03 2 827 79 79 GLN HG2 H 2.4 0.03 2 828 79 79 GLN HG3 H 2.5 0.03 2 829 79 79 GLN C C 178.4 0.3 1 830 79 79 GLN CA C 57.5 0.3 1 831 79 79 GLN CB C 28.4 0.3 1 832 79 79 GLN CG C 33.7 0.3 1 833 79 79 GLN N N 117.7 0.3 1 834 80 80 GLU H H 7.83 0.03 1 835 80 80 GLU HA H 4.1 0.03 1 836 80 80 GLU HB2 H 2.16 0.03 2 837 80 80 GLU HB3 H 2.05 0.03 2 838 80 80 GLU HG2 H 2.24 0.03 2 839 80 80 GLU C C 178.9 0.3 1 840 80 80 GLU CA C 57.9 0.3 1 841 80 80 GLU CB C 29.3 0.3 1 842 80 80 GLU CG C 36.3 0.3 1 843 80 80 GLU N N 119.7 0.3 1 844 81 81 GLU H H 8.58 0.03 1 845 81 81 GLU HA H 4 0.03 1 846 81 81 GLU HB2 H 2.01 0.03 2 847 81 81 GLU HB3 H 2.1 0.03 2 848 81 81 GLU HG2 H 2.23 0.03 2 849 81 81 GLU HG3 H 2.36 0.03 2 850 81 81 GLU C C 179 0.3 1 851 81 81 GLU CA C 58.6 0.3 1 852 81 81 GLU CB C 29.5 0.3 1 853 81 81 GLU CG C 36.7 0.3 1 854 81 81 GLU N N 120.8 0.3 1 855 82 82 GLY H H 8.03 0.03 1 856 82 82 GLY HA2 H 3.9 0.03 2 857 82 82 GLY C C 175.1 0.3 1 858 82 82 GLY CA C 45.6 0.3 1 859 82 82 GLY N N 106.2 0.3 1 860 83 83 LEU H H 7.53 0.03 1 861 83 83 LEU HA H 4.35 0.03 1 862 83 83 LEU HB2 H 1.55 0.03 2 863 83 83 LEU HB3 H 1.74 0.03 2 864 83 83 LEU HD1 H 0.89 0.03 1 865 83 83 LEU HD2 H 0.85 0.03 1 866 83 83 LEU HG H 1.7 0.03 1 867 83 83 LEU C C 177.7 0.3 1 868 83 83 LEU CA C 54.9 0.3 1 869 83 83 LEU CB C 42.3 0.3 1 870 83 83 LEU CD1 C 25 0.3 1 871 83 83 LEU CD2 C 22.6 0.3 1 872 83 83 LEU CG C 26.5 0.3 1 873 83 83 LEU N N 120 0.3 1 874 84 84 ASN H H 8.2 0.03 1 875 84 84 ASN HA H 4.61 0.03 1 876 84 84 ASN HB2 H 2.96 0.03 2 877 84 84 ASN HB3 H 2.75 0.03 2 878 84 84 ASN HD21 H 6.86 0.03 2 879 84 84 ASN HD22 H 7.61 0.03 2 880 84 84 ASN C C 175.2 0.3 1 881 84 84 ASN CA C 53.7 0.3 1 882 84 84 ASN CB C 37.6 0.3 1 883 84 84 ASN N N 116.2 0.3 1 884 85 85 ARG H H 8.08 0.03 1 885 85 85 ARG C C 176.6 0.3 1 886 85 85 ARG CA C 56.4 0.3 1 887 85 85 ARG CB C 30.2 0.3 1 888 85 85 ARG N N 119.3 0.3 1 889 86 86 SER H H 8.32 0.03 1 890 86 86 SER CA C 57.9 0.3 1 891 86 86 SER CB C 63.6 0.3 1 892 86 86 SER N N 115.2 0.3 1 893 88 88 ALA C C 180.1 0.3 1 894 88 88 ALA CA C 55 0.3 1 895 88 88 ALA CB C 17.9 0.3 1 896 89 89 ASP H H 8.08 0.03 1 897 89 89 ASP HA H 4.46 0.03 1 898 89 89 ASP HB2 H 2.65 0.03 2 899 89 89 ASP HB3 H 2.81 0.03 2 900 89 89 ASP C C 178.5 0.3 1 901 89 89 ASP CA C 56.7 0.3 1 902 89 89 ASP CB C 40.4 0.3 1 903 89 89 ASP N N 117.5 0.3 1 904 90 90 LEU H H 7.72 0.03 1 905 90 90 LEU HA H 3.91 0.03 1 906 90 90 LEU HB2 H 1.65 0.03 2 907 90 90 LEU HB3 H 1.78 0.03 2 908 90 90 LEU HD1 H 0.93 0.03 1 909 90 90 LEU HD2 H 0.9 0.03 1 910 90 90 LEU C C 178.8 0.3 1 911 90 90 LEU CA C 57.5 0.3 1 912 90 90 LEU CB C 41.2 0.3 1 913 90 90 LEU CD1 C 24.4 0.3 1 914 90 90 LEU CD2 C 25.2 0.3 1 915 90 90 LEU N N 121.7 0.3 1 916 91 91 ARG H H 7.74 0.03 1 917 91 91 ARG HA H 4.02 0.03 1 918 91 91 ARG HB2 H 1.99 0.03 2 919 91 91 ARG HD2 H 3.24 0.03 2 920 91 91 ARG HG2 H 1.66 0.03 2 921 91 91 ARG HG3 H 1.78 0.03 2 922 91 91 ARG C C 179.9 0.3 1 923 91 91 ARG CA C 59.6 0.3 1 924 91 91 ARG CB C 29.3 0.3 1 925 91 91 ARG CD C 43 0.3 1 926 91 91 ARG CG C 27.4 0.3 1 927 91 91 ARG N N 117.8 0.3 1 928 92 92 ILE H H 7.77 0.03 1 929 92 92 ILE HA H 3.89 0.03 1 930 92 92 ILE HB H 2.06 0.03 1 931 92 92 ILE HD1 H 1.02 0.03 1 932 92 92 ILE HG12 H 1.82 0.03 2 933 92 92 ILE HG13 H 1.31 0.03 2 934 92 92 ILE HG2 H 1.11 0.03 1 935 92 92 ILE C C 178.7 0.3 1 936 92 92 ILE CA C 64.4 0.3 1 937 92 92 ILE CB C 37.6 0.3 1 938 92 92 ILE CD1 C 12.9 0.3 1 939 92 92 ILE CG1 C 28.9 0.3 1 940 92 92 ILE CG2 C 17.5 0.3 1 941 92 92 ILE N N 120.8 0.3 1 942 93 93 ARG H H 7.78 0.03 1 943 93 93 ARG HA H 3.84 0.03 1 944 93 93 ARG HB2 H 0.93 0.03 2 945 93 93 ARG HB3 H 1.13 0.03 2 946 93 93 ARG HD2 H 2.62 0.03 2 947 93 93 ARG HD3 H 2.46 0.03 2 948 93 93 ARG HG2 H -0.278 0.03 2 949 93 93 ARG HG3 H 1.31 0.03 2 950 93 93 ARG C C 178.9 0.3 1 951 93 93 ARG CA C 59.5 0.3 1 952 93 93 ARG CB C 30 0.3 1 953 93 93 ARG CD C 43.6 0.3 1 954 93 93 ARG CG C 26.7 0.3 1 955 93 93 ARG N N 119 0.3 1 956 94 94 LYS H H 8.55 0.03 1 957 94 94 LYS HA H 4.03 0.03 1 958 94 94 LYS HB2 H 1.86 0.03 2 959 94 94 LYS HB3 H 2.04 0.03 2 960 94 94 LYS HG2 H 1.53 0.03 2 961 94 94 LYS HG3 H 1.66 0.03 2 962 94 94 LYS C C 180.1 0.3 1 963 94 94 LYS CA C 60.1 0.3 1 964 94 94 LYS CB C 32.4 0.3 1 965 94 94 LYS CG C 25.9 0.3 1 966 94 94 LYS N N 118.3 0.3 1 967 95 95 THR H H 8.46 0.03 1 968 95 95 THR HA H 4.11 0.03 1 969 95 95 THR HB H 4.42 0.03 1 970 95 95 THR HG2 H 1.32 0.03 1 971 95 95 THR C C 177.9 0.3 1 972 95 95 THR CA C 66.4 0.3 1 973 95 95 THR CB C 68.3 0.3 1 974 95 95 THR CG2 C 21.3 0.3 1 975 95 95 THR N N 116.8 0.3 1 976 96 96 GLN H H 8.56 0.03 1 977 96 96 GLN HA H 4.22 0.03 1 978 96 96 GLN HB2 H 2.33 0.03 2 979 96 96 GLN HB3 H 2.33 0.03 2 980 96 96 GLN HE21 H 7.37 0.03 2 981 96 96 GLN HE22 H 6.89 0.03 2 982 96 96 GLN HG2 H 2.46 0.03 2 983 96 96 GLN HG3 H 2.85 0.03 2 984 96 96 GLN C C 178.6 0.3 1 985 96 96 GLN CA C 58.4 0.3 1 986 96 96 GLN CB C 27.8 0.3 1 987 96 96 GLN CG C 33.7 0.3 1 988 96 96 GLN N N 121.1 0.3 1 989 97 97 HIS H H 8.76 0.03 1 990 97 97 HIS HA H 3.97 0.03 1 991 97 97 HIS HB2 H 3.14 0.03 2 992 97 97 HIS HB3 H 3.36 0.03 2 993 97 97 HIS HD2 H 6.89 0.03 1 994 97 97 HIS HE2 H 7.68 0.03 1 995 97 97 HIS C C 178.7 0.3 1 996 97 97 HIS CA C 62.2 0.3 1 997 97 97 HIS CB C 31.3 0.3 1 998 97 97 HIS N N 119 0.3 1 999 98 98 SER H H 8.66 0.03 1 1000 98 98 SER HA H 4.19 0.03 1 1001 98 98 SER HB2 H 4.21 0.03 2 1002 98 98 SER HB3 H 4.16 0.03 2 1003 98 98 SER C C 177.4 0.3 1 1004 98 98 SER CA C 61.6 0.3 1 1005 98 98 SER CB C 62.5 0.3 1 1006 98 98 SER N N 116.5 0.3 1 1007 99 99 THR H H 8.38 0.03 1 1008 99 99 THR HA H 3.98 0.03 1 1009 99 99 THR HB H 4.32 0.03 1 1010 99 99 THR HG2 H 1.28 0.03 1 1011 99 99 THR C C 177.3 0.3 1 1012 99 99 THR CA C 66.4 0.3 1 1013 99 99 THR CB C 68.5 0.3 1 1014 99 99 THR CG2 C 21.1 0.3 1 1015 99 99 THR N N 118.4 0.3 1 1016 100 100 LEU H H 8.3 0.03 1 1017 100 100 LEU HA H 3.99 0.03 1 1018 100 100 LEU HB2 H 1.86 0.03 2 1019 100 100 LEU HB3 H 1.92 0.03 2 1020 100 100 LEU HD1 H 0.86 0.03 1 1021 100 100 LEU HD2 H 0.82 0.03 1 1022 100 100 LEU HG H 1.98 0.03 1 1023 100 100 LEU C C 178.4 0.3 1 1024 100 100 LEU CA C 57.3 0.3 1 1025 100 100 LEU CB C 42.8 0.3 1 1026 100 100 LEU CD1 C 25.9 0.3 1 1027 100 100 LEU CD2 C 22.2 0.3 1 1028 100 100 LEU CG C 26.3 0.3 1 1029 100 100 LEU N N 121.4 0.3 1 1030 101 101 SER H H 8.25 0.03 1 1031 101 101 SER C C 176.1 0.3 1 1032 101 101 SER CA C 62.9 0.3 1 1033 101 101 SER N N 114.3 0.3 1 1034 102 102 ARG H H 8.06 0.03 1 1035 102 102 ARG HA H 4.05 0.03 1 1036 102 102 ARG HB2 H 1.99 0.03 2 1037 102 102 ARG HD2 H 3.23 0.03 2 1038 102 102 ARG HG2 H 1.66 0.03 2 1039 102 102 ARG HG3 H 1.78 0.03 2 1040 102 102 ARG C C 178.9 0.3 1 1041 102 102 ARG CA C 59 0.3 1 1042 102 102 ARG CB C 29.3 0.3 1 1043 102 102 ARG CD C 42.9 0.3 1 1044 102 102 ARG CG C 27.4 0.3 1 1045 102 102 ARG N N 120.3 0.3 1 1046 103 103 LYS H H 7.95 0.03 1 1047 103 103 LYS HA H 4.21 0.03 1 1048 103 103 LYS HB2 H 2.04 0.03 2 1049 103 103 LYS HD2 H 1.66 0.03 2 1050 103 103 LYS HD3 H 1.78 0.03 2 1051 103 103 LYS HE2 H 2.88 0.03 2 1052 103 103 LYS HG2 H 1.62 0.03 2 1053 103 103 LYS C C 178.9 0.3 1 1054 103 103 LYS CA C 58.2 0.3 1 1055 103 103 LYS CB C 31.6 0.3 1 1056 103 103 LYS CD C 28.2 0.3 1 1057 103 103 LYS CE C 42.5 0.3 1 1058 103 103 LYS CG C 24.8 0.3 1 1059 103 103 LYS N N 119.5 0.3 1 1060 104 104 PHE H H 8.55 0.03 1 1061 104 104 PHE HD1 H 7.15 0.03 3 1062 104 104 PHE HD2 H 7.15 0.03 3 1063 104 104 PHE HE1 H 7.32 0.03 3 1064 104 104 PHE HE2 H 7.32 0.03 3 1065 104 104 PHE HZ H 7.36 0.03 1 1066 104 104 PHE C C 177 0.3 1 1067 104 104 PHE CA C 59.7 0.3 1 1068 104 104 PHE CB C 38.6 0.3 1 1069 104 104 PHE N N 118.9 0.3 1 1070 105 105 VAL H H 8.37 0.03 1 1071 105 105 VAL HA H 3.27 0.03 1 1072 105 105 VAL HB H 2.23 0.03 1 1073 105 105 VAL HG1 H 1.13 0.03 1 1074 105 105 VAL HG2 H 0.96 0.03 1 1075 105 105 VAL C C 179.4 0.3 1 1076 105 105 VAL CA C 66.4 0.3 1 1077 105 105 VAL CB C 31.1 0.3 1 1078 105 105 VAL CG1 C 23.5 0.3 1 1079 105 105 VAL CG2 C 21.1 0.3 1 1080 105 105 VAL N N 118.6 0.3 1 1081 106 106 GLU H H 8.47 0.03 1 1082 106 106 GLU HA H 4.01 0.03 1 1083 106 106 GLU HB2 H 2.16 0.03 2 1084 106 106 GLU HG2 H 2.25 0.03 2 1085 106 106 GLU C C 180.2 0.3 1 1086 106 106 GLU CA C 59.9 0.3 1 1087 106 106 GLU CB C 29.3 0.3 1 1088 106 106 GLU CG C 36.1 0.3 1 1089 106 106 GLU N N 121.9 0.3 1 1090 107 107 VAL H H 8.22 0.03 1 1091 107 107 VAL HA H 4.04 0.03 1 1092 107 107 VAL HB H 2.18 0.03 1 1093 107 107 VAL HG1 H 1.09 0.03 1 1094 107 107 VAL HG2 H 1.18 0.03 1 1095 107 107 VAL C C 178.8 0.3 1 1096 107 107 VAL CA C 65.3 0.3 1 1097 107 107 VAL CB C 31.5 0.3 1 1098 107 107 VAL CG1 C 21.1 0.3 1 1099 107 107 VAL CG2 C 22.6 0.3 1 1100 107 107 VAL N N 119.9 0.3 1 1101 108 108 MET H H 8.19 0.03 1 1102 108 108 MET C C 180.3 0.3 1 1103 108 108 MET CA C 56 0.3 1 1104 108 108 MET CB C 28.5 0.3 1 1105 108 108 MET N N 118.3 0.3 1 1106 109 109 SER H H 8.78 0.03 1 1107 109 109 SER HA H 4.25 0.03 1 1108 109 109 SER HB2 H 3.98 0.03 2 1109 109 109 SER C C 177.6 0.3 1 1110 109 109 SER CA C 61.8 0.3 1 1111 109 109 SER CB C 62 0.3 1 1112 109 109 SER N N 118.3 0.3 1 1113 110 110 GLU H H 7.93 0.03 1 1114 110 110 GLU HA H 4.33 0.03 1 1115 110 110 GLU HB2 H 2.26 0.03 2 1116 110 110 GLU HG2 H 2.24 0.03 2 1117 110 110 GLU HG3 H 2.4 0.03 2 1118 110 110 GLU C C 180.4 0.3 1 1119 110 110 GLU CA C 58.9 0.3 1 1120 110 110 GLU CB C 28.4 0.3 1 1121 110 110 GLU CG C 35.2 0.3 1 1122 110 110 GLU N N 124.7 0.3 1 1123 111 111 TYR H H 8.46 0.03 1 1124 111 111 TYR HA H 4.44 0.03 1 1125 111 111 TYR HB2 H 3.24 0.03 2 1126 111 111 TYR HB3 H 3.41 0.03 2 1127 111 111 TYR HD1 H 7.05 0.03 3 1128 111 111 TYR HD2 H 7.05 0.03 3 1129 111 111 TYR HE1 H 6.72 0.03 3 1130 111 111 TYR HE2 H 6.72 0.03 3 1131 111 111 TYR C C 177.8 0.3 1 1132 111 111 TYR CA C 59.4 0.3 1 1133 111 111 TYR CB C 36.9 0.3 1 1134 111 111 TYR CD1 C 131.6 0.3 3 1135 111 111 TYR CD2 C 131.6 0.3 3 1136 111 111 TYR CE1 C 117.8 0.3 3 1137 111 111 TYR CE2 C 117.8 0.3 3 1138 111 111 TYR N N 122.1 0.3 1 1139 112 112 ASN H H 8.65 0.03 1 1140 112 112 ASN HA H 4.13 0.03 1 1141 112 112 ASN HB2 H 2.75 0.03 2 1142 112 112 ASN HB3 H 2.97 0.03 2 1143 112 112 ASN C C 178.3 0.3 1 1144 112 112 ASN CA C 56.4 0.3 1 1145 112 112 ASN CB C 38.4 0.3 1 1146 112 112 ASN N N 118.9 0.3 1 1147 113 113 ALA H H 8.43 0.03 1 1148 113 113 ALA HA H 4.16 0.03 1 1149 113 113 ALA HB H 1.58 0.03 1 1150 113 113 ALA C C 180.7 0.3 1 1151 113 113 ALA CA C 55.1 0.3 1 1152 113 113 ALA CB C 17.7 0.3 1 1153 113 113 ALA N N 123 0.3 1 1154 114 114 THR H H 8.26 0.03 1 1155 114 114 THR HA H 4.22 0.03 1 1156 114 114 THR HB H 4.56 0.03 1 1157 114 114 THR HG2 H 1.42 0.03 1 1158 114 114 THR C C 177.3 0.3 1 1159 114 114 THR CA C 66.4 0.3 1 1160 114 114 THR CB C 68.2 0.3 1 1161 114 114 THR CG2 C 21.3 0.3 1 1162 114 114 THR N N 117 0.3 1 1163 115 115 GLN H H 8.14 0.03 1 1164 115 115 GLN C C 178.6 0.3 1 1165 115 115 GLN CA C 58.9 0.3 1 1166 115 115 GLN CB C 28.8 0.3 1 1167 115 115 GLN N N 120.8 0.3 1 1168 116 116 SER H H 8.37 0.03 1 1169 116 116 SER HA H 4.12 0.03 1 1170 116 116 SER HB2 H 3.98 0.03 2 1171 116 116 SER C C 176.8 0.3 1 1172 116 116 SER CA C 61.6 0.3 1 1173 116 116 SER CB C 62.2 0.3 1 1174 116 116 SER N N 115.5 0.3 1 1175 117 117 ASP H H 8.2 0.03 1 1176 117 117 ASP HA H 4.41 0.03 1 1177 117 117 ASP HB2 H 2.83 0.03 2 1178 117 117 ASP C C 178.2 0.3 1 1179 117 117 ASP CA C 57.5 0.3 1 1180 117 117 ASP CB C 41.6 0.3 1 1181 117 117 ASP N N 122.4 0.3 1 1182 118 118 TYR H H 8.06 0.03 1 1183 118 118 TYR HA H 4.25 0.03 1 1184 118 118 TYR HB2 H 2.91 0.03 2 1185 118 118 TYR HB3 H 2.72 0.03 2 1186 118 118 TYR HD1 H 6.74 0.03 3 1187 118 118 TYR HD2 H 6.74 0.03 3 1188 118 118 TYR HE1 H 6.59 0.03 3 1189 118 118 TYR HE2 H 6.59 0.03 3 1190 118 118 TYR CA C 60.7 0.3 1 1191 118 118 TYR CB C 37.9 0.3 1 1192 118 118 TYR CD1 C 132.2 0.3 3 1193 118 118 TYR CD2 C 132.2 0.3 3 1194 118 118 TYR CE1 C 116.5 0.3 3 1195 118 118 TYR CE2 C 116.5 0.3 3 1196 118 118 TYR N N 120.2 0.3 1 1197 123 123 LYS C C 178.5 0.3 1 1198 123 123 LYS CA C 60.1 0.3 1 1199 123 123 LYS CB C 32.6 0.3 1 1200 124 124 GLY H H 8.29 0.03 1 1201 124 124 GLY HA2 H 3.91 0.03 2 1202 124 124 GLY HA3 H 3.91 0.03 2 1203 124 124 GLY C C 176.7 0.3 1 1204 124 124 GLY CA C 46.8 0.3 1 1205 124 124 GLY N N 106.4 0.3 1 1206 125 125 ARG H H 7.65 0.03 1 1207 125 125 ARG HA H 4.18 0.03 1 1208 125 125 ARG C C 179.1 0.3 1 1209 125 125 ARG CA C 57.1 0.3 1 1210 125 125 ARG CB C 28.5 0.3 1 1211 125 125 ARG N N 120.5 0.3 1 1212 126 126 ILE H H 7.66 0.03 1 1213 126 126 ILE C C 179.9 0.3 1 1214 126 126 ILE CA C 65.4 0.3 1 1215 126 126 ILE N N 119.9 0.3 1 1216 127 127 GLN H H 8.37 0.03 1 1217 127 127 GLN HA H 3.71 0.03 1 1218 127 127 GLN C C 178.6 0.3 1 1219 127 127 GLN CA C 57.4 0.3 1 1220 127 127 GLN N N 119.9 0.3 1 1221 128 128 ARG H H 8.08 0.03 1 1222 128 128 ARG HA H 4.18 0.03 1 1223 128 128 ARG CA C 58.1 0.3 1 1224 128 128 ARG N N 118.7 0.3 1 1225 129 129 GLN C C 176.7 0.3 1 1226 129 129 GLN CA C 55.8 0.3 1 1227 129 129 GLN CB C 32.3 0.3 1 1228 130 130 LEU H H 7.96 0.03 1 1229 130 130 LEU C C 178.1 0.3 1 1230 130 130 LEU CA C 55.5 0.3 1 1231 130 130 LEU CB C 41.6 0.3 1 1232 130 130 LEU N N 122.5 0.3 1 1233 131 131 GLU H H 8.42 0.03 1 1234 131 131 GLU C C 177.2 0.3 1 1235 131 131 GLU CA C 57 0.3 1 1236 131 131 GLU CB C 29.7 0.3 1 1237 131 131 GLU N N 121.2 0.3 1 1238 132 132 ILE H H 7.92 0.03 1 1239 132 132 ILE C C 174.9 0.3 1 1240 132 132 ILE CA C 61.9 0.3 1 1241 132 132 ILE CB C 38.1 0.3 1 1242 132 132 ILE N N 120 0.3 1 1243 133 133 THR H H 8.22 0.03 1 1244 133 133 THR C C 175 0.3 1 1245 133 133 THR CA C 61.5 0.3 1 1246 133 133 THR CB C 69.9 0.3 1 1247 133 133 THR N N 116.4 0.3 1 1248 134 134 GLY H H 8.3 0.03 1 1249 134 134 GLY CA C 46.9 0.3 1 1250 134 134 GLY N N 115.2 0.3 1 1251 137 137 THR C C 174.9 0.3 1 1252 137 137 THR CA C 61.1 0.3 1 1253 137 137 THR CB C 71.5 0.3 1 1254 138 138 THR H H 8.58 0.03 1 1255 138 138 THR C C 177 0.3 1 1256 138 138 THR CA C 60.8 0.3 1 1257 138 138 THR CB C 70.9 0.3 1 1258 138 138 THR N N 115.1 0.3 1 1259 139 139 SER H H 8.76 0.03 1 1260 139 139 SER C C 178.8 0.3 1 1261 139 139 SER CA C 59.4 0.3 1 1262 139 139 SER N N 120.6 0.3 1 1263 140 140 GLU H H 7.86 0.03 1 1264 140 140 GLU CA C 58.3 0.3 1 1265 140 140 GLU N N 120.8 0.3 1 1266 148 148 SER H H 7.68 0.03 1 1267 148 148 SER HA H 4.21 0.03 1 1268 148 148 SER HB2 H 3.99 0.03 2 1269 148 148 SER HB3 H 3.99 0.03 2 1270 148 148 SER C C 176.1 0.3 1 1271 148 148 SER CA C 60.1 0.3 1 1272 148 148 SER CB C 64.1 0.3 1 1273 148 148 SER N N 113.9 0.3 1 1274 149 149 GLY H H 8.04 0.03 1 1275 149 149 GLY HA2 H 3.9 0.03 2 1276 149 149 GLY HA3 H 4.03 0.03 2 1277 149 149 GLY C C 173.6 0.3 1 1278 149 149 GLY CA C 45.6 0.3 1 1279 149 149 GLY N N 109.7 0.3 1 1280 150 150 ASN H H 7.94 0.03 1 1281 150 150 ASN HA H 5.03 0.03 1 1282 150 150 ASN HB2 H 2.71 0.03 2 1283 150 150 ASN HB3 H 2.96 0.03 2 1284 150 150 ASN CA C 50.3 0.3 1 1285 150 150 ASN CB C 39 0.3 1 1286 150 150 ASN N N 118.1 0.3 1 1287 151 151 PRO C C 177.3 0.3 1 1288 152 152 ALA H H 8 0.03 1 1289 152 152 ALA HA H 4.38 0.03 1 1290 152 152 ALA HB H 1.37 0.03 1 1291 152 152 ALA C C 179.3 0.3 1 1292 152 152 ALA CA C 52.9 0.3 1 1293 152 152 ALA CB C 18.5 0.3 1 1294 152 152 ALA N N 120.8 0.3 1 1295 153 153 ILE H H 7.49 0.03 1 1296 153 153 ILE HA H 3.87 0.03 1 1297 153 153 ILE HB H 1.74 0.03 1 1298 153 153 ILE CA C 62.2 0.3 1 1299 153 153 ILE CB C 37.9 0.3 1 1300 153 153 ILE N N 118.1 0.3 1 1301 154 154 PHE H H 8.06 0.03 1 1302 154 154 PHE CA C 60.1 0.3 1 1303 154 154 PHE N N 118.7 0.3 1 1304 156 156 SER C C 175.5 0.3 1 1305 156 156 SER CA C 59.3 0.3 1 1306 156 156 SER CB C 64 0.3 1 1307 157 157 GLY H H 8.24 0.03 1 1308 157 157 GLY HA2 H 3.95 0.03 2 1309 157 157 GLY C C 174.4 0.3 1 1310 157 157 GLY CA C 45.1 0.3 1 1311 157 157 GLY N N 110 0.3 1 1312 158 158 ILE H H 7.59 0.03 1 1313 158 158 ILE HA H 4.17 0.03 1 1314 158 158 ILE HB H 1.85 0.03 1 1315 158 158 ILE C C 176.2 0.3 1 1316 158 158 ILE CA C 61.1 0.3 1 1317 158 158 ILE CB C 38.2 0.3 1 1318 158 158 ILE N N 119.4 0.3 1 1319 159 159 ILE H H 8.18 0.03 1 1320 159 159 ILE HA H 4.16 0.03 1 1321 159 159 ILE HB H 1.87 0.03 1 1322 159 159 ILE C C 176.6 0.3 1 1323 159 159 ILE CA C 60.8 0.3 1 1324 159 159 ILE CB C 37.5 0.3 1 1325 159 159 ILE N N 124.2 0.3 1 1326 160 160 MET H H 8.36 0.03 1 1327 160 160 MET HA H 4.52 0.03 1 1328 160 160 MET HB2 H 2.04 0.03 2 1329 160 160 MET HB3 H 2.04 0.03 2 1330 160 160 MET HG2 H 2.5 0.03 2 1331 160 160 MET HG3 H 2.61 0.03 2 1332 160 160 MET C C 176 0.3 1 1333 160 160 MET CA C 55.1 0.3 1 1334 160 160 MET CB C 32.1 0.3 1 1335 160 160 MET N N 124.6 0.3 1 1336 161 161 ASP H H 8.18 0.03 1 1337 161 161 ASP CA C 54.3 0.3 1 1338 161 161 ASP CB C 41 0.3 1 1339 161 161 ASP N N 121.2 0.3 1 1340 167 167 GLN C C 179.9 0.3 1 1341 168 168 ALA H H 8.01 0.03 1 1342 168 168 ALA CA C 54.5 0.3 1 1343 168 168 ALA N N 123.6 0.3 1 1344 193 193 PHE C C 177.1 0.3 1 1345 193 193 PHE CA C 58.8 0.3 1 1346 193 193 PHE CB C 39.1 0.3 1 1347 194 194 MET H H 8.01 0.03 1 1348 194 194 MET C C 177.6 0.3 1 1349 194 194 MET CA C 57.2 0.3 1 1350 194 194 MET CB C 30.7 0.3 1 1351 194 194 MET N N 120.3 0.3 1 1352 195 195 ASP H H 8.22 0.03 1 1353 195 195 ASP HA H 4.45 0.03 1 1354 195 195 ASP HB2 H 2.75 0.03 2 1355 195 195 ASP HB3 H 2.75 0.03 2 1356 195 195 ASP C C 177.9 0.3 1 1357 195 195 ASP CA C 55.6 0.3 1 1358 195 195 ASP CB C 40.3 0.3 1 1359 195 195 ASP N N 119.4 0.3 1 1360 196 196 MET H H 7.98 0.03 1 1361 196 196 MET C C 177.1 0.3 1 1362 196 196 MET CA C 56.8 0.3 1 1363 196 196 MET CB C 32.5 0.3 1 1364 196 196 MET N N 119.3 0.3 1 1365 197 197 ALA H H 8.15 0.03 1 1366 197 197 ALA HA H 4.18 0.03 1 1367 197 197 ALA HB H 1.45 0.03 1 1368 197 197 ALA C C 178.8 0.3 1 1369 197 197 ALA CA C 53.65 0.3 1 1370 197 197 ALA CB C 18.3 0.3 1 1371 197 197 ALA N N 122.5 0.3 1 1372 198 198 MET H H 8 0.03 1 1373 198 198 MET HA H 4.37 0.03 1 1374 198 198 MET HB2 H 2.09 0.03 2 1375 198 198 MET HB3 H 2.09 0.03 2 1376 198 198 MET HG2 H 2.57 0.03 2 1377 198 198 MET HG3 H 2.65 0.03 2 1378 198 198 MET C C 177.3 0.3 1 1379 198 198 MET CA C 56.3 0.3 1 1380 198 198 MET CB C 32.1 0.3 1 1381 198 198 MET N N 117 0.3 1 1382 199 199 LEU H H 7.9 0.03 1 1383 199 199 LEU HA H 4.34 0.03 1 1384 199 199 LEU HB2 H 1.67 0.03 2 1385 199 199 LEU HB3 H 1.74 0.03 2 1386 199 199 LEU HD1 H 0.92 0.03 1 1387 199 199 LEU HD2 H 0.92 0.03 1 1388 199 199 LEU C C 178.2 0.3 1 1389 199 199 LEU CA C 56 0.3 1 1390 199 199 LEU CB C 41.5 0.3 1 1391 199 199 LEU N N 121.8 0.3 1 1392 200 200 VAL H H 7.97 0.03 1 1393 200 200 VAL HB H 2.11 0.03 1 1394 200 200 VAL HG1 H 0.95 0.03 1 1395 200 200 VAL HG2 H 0.95 0.03 1 1396 200 200 VAL C C 177.1 0.3 1 1397 200 200 VAL CA C 63 0.3 1 1398 200 200 VAL CB C 32.1 0.3 1 1399 200 200 VAL N N 119.3 0.3 1 1400 201 201 GLU H H 8.31 0.03 1 1401 201 201 GLU HA H 4.27 0.03 1 1402 201 201 GLU HB2 H 2 0.03 2 1403 201 201 GLU HB3 H 2.09 0.03 2 1404 201 201 GLU HG2 H 2.28 0.03 2 1405 201 201 GLU HG3 H 2.28 0.03 2 1406 201 201 GLU C C 177.3 0.3 1 1407 201 201 GLU CA C 57.1 0.3 1 1408 201 201 GLU CB C 29.7 0.3 1 1409 201 201 GLU N N 123.1 0.3 1 1410 202 202 SER H H 8.22 0.03 1 1411 202 202 SER HA H 4.42 0.03 1 1412 202 202 SER HB2 H 3.9 0.03 2 1413 202 202 SER HB3 H 3.9 0.03 2 1414 202 202 SER C C 175.1 0.3 1 1415 202 202 SER CA C 58.8 0.3 1 1416 202 202 SER CB C 63.9 0.3 1 1417 202 202 SER N N 116.1 0.3 1 1418 203 203 GLN H H 8.32 0.03 1 1419 203 203 GLN HA H 4.36 0.03 1 1420 203 203 GLN C C 176.9 0.3 1 1421 203 203 GLN CA C 56.1 0.3 1 1422 203 203 GLN CB C 28.9 0.3 1 1423 203 203 GLN N N 121.8 0.3 1 1424 204 204 GLY H H 8.27 0.03 1 1425 204 204 GLY HA2 H 3.96 0.03 2 1426 204 204 GLY HA3 H 3.96 0.03 2 1427 204 204 GLY C C 174.2 0.3 1 1428 204 204 GLY CA C 44.9 0.3 1 1429 204 204 GLY N N 109 0.3 1 1430 205 205 GLU H H 8.26 0.03 1 1431 205 205 GLU HA H 4.28 0.03 1 1432 205 205 GLU C C 176.7 0.3 1 1433 205 205 GLU CA C 56.4 0.3 1 1434 205 205 GLU CB C 30 0.3 1 1435 205 205 GLU N N 120.2 0.3 1 1436 206 206 MET H H 8.39 0.03 1 1437 206 206 MET HA H 4.49 0.03 1 1438 206 206 MET HB2 H 2 0.03 2 1439 206 206 MET HB3 H 2 0.03 2 1440 206 206 MET C C 175.4 0.3 1 1441 206 206 MET CA C 55.5 0.3 1 1442 206 206 MET CB C 32.3 0.3 1 1443 206 206 MET N N 121.9 0.3 1 1444 207 207 ILE H H 7.66 0.03 1 1445 207 207 ILE CA C 62.8 0.3 1 1446 207 207 ILE CB C 39.1 0.3 1 1447 207 207 ILE N N 126.5 0.3 1 stop_ save_