data_16678 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments for Sensory Rhodopsin II ; _BMRB_accession_number 16678 _BMRB_flat_file_name bmr16678.str _Entry_type original _Submission_date 2010-01-14 _Accession_date 2010-01-14 _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 Gautier Antoine . . 2 Mott Helen R. . 3 Bostock Mark J. . 4 Kirkpatrick John P. . 5 Nietlispach Daniel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1116 "13C chemical shifts" 1004 "15N chemical shifts" 239 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-09 update BMRB 'complete entry citation' 2010-06-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure determination of the seven-helix transmembrane receptor sensory rhodopsin II by solution NMR spectroscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20512150 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gautier Antoine . . 2 Mott Helen R. . 3 Bostock Mark J. . 4 Kirkpatrick John P. . 5 Nietlispach Daniel . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 17 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 768 _Page_last 774 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Sensory Rhodopsin II' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sensory Rhodopsin II' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Sensory Rhodopsin II' _Molecular_mass 26723.572 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 247 _Mol_residue_sequence ; MVGLTTLFWLGAIGMLVGTL AFAWAGRDAGSGERRYYVTL VGISGIAAVAYAVMALGVGW VPVAERTVFVPRYIDWILTT PLIVYFLGLLAGLDSREFGI VITLNTVVMLAGFAGAMVPG IERYALFGMGAVAFIGLVYY LVGPMTESASQRSSGIKSLY VRLRNLTVVLWAIYPFIWLL GPPGVALLTPTVDVALIVYL DLVTXVGFGFIALDAAATLR AEHGESLAGVDTDTPAVADL EHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 GLY 4 LEU 5 THR 6 THR 7 LEU 8 PHE 9 TRP 10 LEU 11 GLY 12 ALA 13 ILE 14 GLY 15 MET 16 LEU 17 VAL 18 GLY 19 THR 20 LEU 21 ALA 22 PHE 23 ALA 24 TRP 25 ALA 26 GLY 27 ARG 28 ASP 29 ALA 30 GLY 31 SER 32 GLY 33 GLU 34 ARG 35 ARG 36 TYR 37 TYR 38 VAL 39 THR 40 LEU 41 VAL 42 GLY 43 ILE 44 SER 45 GLY 46 ILE 47 ALA 48 ALA 49 VAL 50 ALA 51 TYR 52 ALA 53 VAL 54 MET 55 ALA 56 LEU 57 GLY 58 VAL 59 GLY 60 TRP 61 VAL 62 PRO 63 VAL 64 ALA 65 GLU 66 ARG 67 THR 68 VAL 69 PHE 70 VAL 71 PRO 72 ARG 73 TYR 74 ILE 75 ASP 76 TRP 77 ILE 78 LEU 79 THR 80 THR 81 PRO 82 LEU 83 ILE 84 VAL 85 TYR 86 PHE 87 LEU 88 GLY 89 LEU 90 LEU 91 ALA 92 GLY 93 LEU 94 ASP 95 SER 96 ARG 97 GLU 98 PHE 99 GLY 100 ILE 101 VAL 102 ILE 103 THR 104 LEU 105 ASN 106 THR 107 VAL 108 VAL 109 MET 110 LEU 111 ALA 112 GLY 113 PHE 114 ALA 115 GLY 116 ALA 117 MET 118 VAL 119 PRO 120 GLY 121 ILE 122 GLU 123 ARG 124 TYR 125 ALA 126 LEU 127 PHE 128 GLY 129 MET 130 GLY 131 ALA 132 VAL 133 ALA 134 PHE 135 ILE 136 GLY 137 LEU 138 VAL 139 TYR 140 TYR 141 LEU 142 VAL 143 GLY 144 PRO 145 MET 146 THR 147 GLU 148 SER 149 ALA 150 SER 151 GLN 152 ARG 153 SER 154 SER 155 GLY 156 ILE 157 LYS 158 SER 159 LEU 160 TYR 161 VAL 162 ARG 163 LEU 164 ARG 165 ASN 166 LEU 167 THR 168 VAL 169 VAL 170 LEU 171 TRP 172 ALA 173 ILE 174 TYR 175 PRO 176 PHE 177 ILE 178 TRP 179 LEU 180 LEU 181 GLY 182 PRO 183 PRO 184 GLY 185 VAL 186 ALA 187 LEU 188 LEU 189 THR 190 PRO 191 THR 192 VAL 193 ASP 194 VAL 195 ALA 196 LEU 197 ILE 198 VAL 199 TYR 200 LEU 201 ASP 202 LEU 203 VAL 204 THR 205 LYR 206 VAL 207 GLY 208 PHE 209 GLY 210 PHE 211 ILE 212 ALA 213 LEU 214 ASP 215 ALA 216 ALA 217 ALA 218 THR 219 LEU 220 ARG 221 ALA 222 GLU 223 HIS 224 GLY 225 GLU 226 SER 227 LEU 228 ALA 229 GLY 230 VAL 231 ASP 232 THR 233 ASP 234 THR 235 PRO 236 ALA 237 VAL 238 ALA 239 ASP 240 LEU 241 GLU 242 HIS 243 HIS 244 HIS 245 HIS 246 HIS 247 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 1GU8 "Sensory Rhodopsin Ii" 96.76 239 97.49 98.33 1.24e-157 PDB 1GUE "Sensory Rhodopsin Ii" 96.76 239 97.49 98.33 1.24e-157 PDB 1H2S "Molecular Basis Of Transmenbrane Signalling By Sensory Rhodopsin Ii-Transducer Complex" 91.09 225 97.78 98.67 4.64e-148 PDB 1H68 "Sensory Rhodopsin Ii" 96.76 239 97.49 98.33 1.24e-157 PDB 1JGJ "Crystal Structure Of Sensory Rhodopsin Ii At 2.4 Angstroms: Insights Into Color Tuning And Transducer Interaction" 87.85 217 99.54 99.54 3.19e-143 PDB 2KSY "Solution Nmr Structure Of Sensory Rhodopsin Ii" 100.00 247 99.60 99.60 1.94e-168 PDB 3QAP "Crystal Structure Of Natronomonas Pharaonis Sensory Rhodopsin Ii In The Ground State" 96.76 239 97.49 98.33 1.24e-157 PDB 3QDC "Crystal Structure Of Natronomonas Pharaonis Sensory Rhodopsin Ii In The Active State" 96.76 239 97.49 98.33 1.24e-157 EMBL CAA84469 "sensory rhodopsin II apoprotein [Natronomonas pharaonis]" 96.76 239 97.49 98.33 1.24e-157 EMBL CAI50508 "sensory rhodopsin II [Natronomonas pharaonis DSM 2160]" 96.76 239 99.58 99.58 2.35e-160 REF WP_011324120 "sensory rhodopsin-2 [Natronomonas pharaonis]" 96.76 239 99.58 99.58 2.35e-160 SP P42196 "RecName: Full=Sensory rhodopsin-2; AltName: Full=Sensory rhodopsin II; Short=SR-II" 96.76 239 97.49 98.33 1.24e-157 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_LYR _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE _BMRB_code . _PDB_code LYR _Standard_residue_derivative . _Molecular_mass 414.624 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:01:52 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? C1 C1 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C80 C80 C . 0 . ? C9 C9 C . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CD CD C . 0 . ? CE CE C . 0 . ? CG CG C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H133 H133 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H151 H151 H . 0 . ? H152 H152 H . 0 . ? H161 H161 H . 0 . ? H162 H162 H . 0 . ? H181 H181 H . 0 . ? H182 H182 H . 0 . ? H183 H183 H . 0 . ? H191 H191 H . 0 . ? H192 H192 H . 0 . ? H193 H193 H . 0 . ? H2 H2 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H43 H43 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H83 H83 H . 0 . ? H9 H9 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HC2 HC2 H . 0 . ? HD2 HD2 H . 0 . ? HD3 HD3 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HXT HXT H . 0 . ? HZ HZ H . 0 . ? N N N . 0 . ? NZ NZ N . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING CD CE ? ? SING CD HD2 ? ? SING CD HD3 ? ? SING CE NZ ? ? SING CE HE2 ? ? SING CE HE3 ? ? SING NZ C1 ? ? SING NZ HZ ? ? SING C1 C2 ? ? SING C1 H1 ? ? SING C1 H11 ? ? DOUB C2 C3 ? ? SING C2 HC2 ? ? SING C3 C4 ? ? SING C3 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C4 H43 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 C7 ? ? SING C6 H6 ? ? DOUB C7 C80 ? ? SING C7 H7 ? ? SING C80 C8 ? ? SING C80 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C8 H83 ? ? DOUB C9 C10 ? ? SING C9 H9 ? ? SING C10 C11 ? ? SING C10 H10 ? ? DOUB C11 C12 ? ? SING C11 C17 ? ? SING C12 C13 ? ? SING C12 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C13 H133 ? ? SING C14 C15 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C15 C16 ? ? SING C15 H151 ? ? SING C15 H152 ? ? SING C16 C17 ? ? SING C16 H161 ? ? SING C16 H162 ? ? SING C17 C18 ? ? SING C17 C19 ? ? SING C18 H181 ? ? SING C18 H182 ? ? SING C18 H183 ? ? SING C19 H191 ? ? SING C19 H192 ? ? SING C19 H193 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Natronomonas pharaonis' 2257 Archaea . Natronomonas pharaonis 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 $entity 'recombinant technology' . Escherichia coli . pET28 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 $entity 0.5 mM '[U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'peak picking' stop_ _Details . save_ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'Torsion angle prediction' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_HN(CA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_3 save_ save_3D_HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 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' 100 . mM pH 6 . pH pressure 1 . atm temperature 323 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D HN(CA)CB' '3D HN(COCA)CB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Sensory Rhodopsin II' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HE H 2.276 0.010 1 2 1 1 MET C C 176.363 0.000 1 3 1 1 MET CA C 54.489 0.000 1 4 1 1 MET CB C 32.712 0.000 1 5 1 1 MET CE C 17.030 0.080 1 6 2 2 VAL H H 8.090 0.011 1 7 2 2 VAL HA H 4.334 0.014 1 8 2 2 VAL HB H 2.280 0.011 1 9 2 2 VAL HG1 H 1.155 0.020 2 10 2 2 VAL HG2 H 1.172 0.012 2 11 2 2 VAL C C 176.325 0.004 1 12 2 2 VAL CA C 62.716 0.115 1 13 2 2 VAL CB C 32.449 0.340 1 14 2 2 VAL CG1 C 21.276 0.073 2 15 2 2 VAL CG2 C 21.258 0.122 2 16 2 2 VAL N N 119.321 0.067 1 17 3 3 GLY H H 8.616 0.012 1 18 3 3 GLY HA2 H 4.134 0.026 2 19 3 3 GLY HA3 H 4.314 0.028 2 20 3 3 GLY C C 174.725 0.001 1 21 3 3 GLY CA C 45.485 0.135 1 22 3 3 GLY N N 111.346 0.041 1 23 4 4 LEU H H 8.156 0.015 1 24 4 4 LEU HA H 3.806 0.019 1 25 4 4 LEU HB2 H 1.377 0.014 2 26 4 4 LEU HB3 H 2.041 0.016 2 27 4 4 LEU HD1 H 0.677 0.016 2 28 4 4 LEU HD2 H 0.908 0.015 2 29 4 4 LEU HG H 1.791 0.014 1 30 4 4 LEU C C 178.435 0.008 1 31 4 4 LEU CA C 58.493 0.111 1 32 4 4 LEU CB C 42.043 0.304 1 33 4 4 LEU CD1 C 24.324 0.145 2 34 4 4 LEU CD2 C 25.788 0.144 2 35 4 4 LEU CG C 26.864 0.076 1 36 4 4 LEU N N 119.493 0.083 1 37 5 5 THR H H 8.458 0.014 1 38 5 5 THR HA H 4.328 0.020 1 39 5 5 THR HB H 4.845 0.015 1 40 5 5 THR HG2 H 1.908 0.010 1 41 5 5 THR C C 176.352 0.000 1 42 5 5 THR CA C 66.925 0.076 1 43 5 5 THR CB C 68.376 0.167 1 44 5 5 THR CG2 C 23.277 0.087 1 45 5 5 THR N N 107.487 0.076 1 46 6 6 THR H H 7.683 0.015 1 47 6 6 THR HA H 4.287 0.011 1 48 6 6 THR HB H 4.465 0.009 1 49 6 6 THR HG2 H 1.425 0.009 1 50 6 6 THR C C 175.979 0.000 1 51 6 6 THR CA C 67.142 0.142 1 52 6 6 THR CB C 68.281 0.089 1 53 6 6 THR CG2 C 22.325 0.166 1 54 6 6 THR N N 116.694 0.066 1 55 7 7 LEU H H 7.528 0.012 1 56 7 7 LEU HA H 4.086 0.012 1 57 7 7 LEU HB2 H 1.892 0.016 2 58 7 7 LEU HB3 H 1.164 0.006 2 59 7 7 LEU HD1 H 0.913 0.019 2 60 7 7 LEU HD2 H 0.876 0.018 2 61 7 7 LEU HG H 1.855 0.023 1 62 7 7 LEU C C 178.919 0.012 1 63 7 7 LEU CA C 58.011 0.136 1 64 7 7 LEU CB C 41.881 0.145 1 65 7 7 LEU CD1 C 26.596 0.193 2 66 7 7 LEU CD2 C 22.834 0.136 2 67 7 7 LEU CG C 26.506 0.114 1 68 7 7 LEU N N 119.312 0.076 1 69 8 8 PHE H H 8.203 0.021 1 70 8 8 PHE HA H 4.912 0.017 1 71 8 8 PHE HD1 H 7.137 0.014 3 72 8 8 PHE HD2 H 7.137 0.014 3 73 8 8 PHE HE1 H 6.712 0.014 3 74 8 8 PHE HE2 H 6.712 0.014 3 75 8 8 PHE C C 179.305 0.005 1 76 8 8 PHE CA C 59.771 0.078 1 77 8 8 PHE CB C 36.927 0.101 1 78 8 8 PHE CD1 C 129.226 0.196 3 79 8 8 PHE CD2 C 129.226 0.196 3 80 8 8 PHE CE1 C 131.411 0.107 3 81 8 8 PHE CE2 C 131.411 0.107 3 82 8 8 PHE N N 116.307 0.059 1 83 9 9 TRP H H 8.790 0.010 1 84 9 9 TRP HA H 4.934 0.011 1 85 9 9 TRP HB2 H 3.365 0.015 2 86 9 9 TRP HB3 H 3.677 0.011 2 87 9 9 TRP HD1 H 7.323 0.007 1 88 9 9 TRP HE1 H 10.319 0.005 1 89 9 9 TRP HE3 H 7.709 0.013 1 90 9 9 TRP HH2 H 7.092 0.011 1 91 9 9 TRP HZ2 H 7.473 0.013 1 92 9 9 TRP HZ3 H 6.948 0.011 1 93 9 9 TRP C C 179.204 0.016 1 94 9 9 TRP CA C 59.958 0.107 1 95 9 9 TRP CB C 30.114 0.243 1 96 9 9 TRP CD1 C 127.768 0.033 1 97 9 9 TRP CE3 C 120.065 0.078 1 98 9 9 TRP CH2 C 123.097 0.077 1 99 9 9 TRP CZ2 C 114.506 0.070 1 100 9 9 TRP CZ3 C 120.042 0.037 1 101 9 9 TRP N N 119.161 0.051 1 102 9 9 TRP NE1 N 127.503 0.035 1 103 10 10 LEU H H 8.367 0.013 1 104 10 10 LEU HA H 4.173 0.018 1 105 10 10 LEU HB2 H 1.894 0.011 2 106 10 10 LEU HB3 H 2.064 0.014 2 107 10 10 LEU HD1 H 0.983 0.017 1 108 10 10 LEU HG H 1.966 0.014 1 109 10 10 LEU C C 179.275 0.035 1 110 10 10 LEU CA C 58.557 0.133 1 111 10 10 LEU CB C 41.207 0.294 1 112 10 10 LEU CD1 C 24.422 0.187 1 113 10 10 LEU CG C 26.837 0.048 1 114 10 10 LEU N N 119.412 0.092 1 115 11 11 GLY H H 8.156 0.018 1 116 11 11 GLY HA2 H 3.357 0.011 1 117 11 11 GLY HA3 H 3.357 0.011 1 118 11 11 GLY C C 174.553 0.008 1 119 11 11 GLY CA C 47.115 0.001 1 120 11 11 GLY N N 104.586 0.068 1 121 12 12 ALA H H 8.554 0.009 1 122 12 12 ALA HA H 4.230 0.013 1 123 12 12 ALA HB H 1.812 0.013 1 124 12 12 ALA C C 179.818 0.029 1 125 12 12 ALA CA C 56.130 0.122 1 126 12 12 ALA CB C 18.036 0.183 1 127 12 12 ALA N N 122.598 0.063 1 128 13 13 ILE H H 9.012 0.010 1 129 13 13 ILE HA H 3.847 0.007 1 130 13 13 ILE HB H 2.143 0.017 1 131 13 13 ILE HD1 H 0.974 0.009 1 132 13 13 ILE HG12 H 1.382 0.022 2 133 13 13 ILE HG13 H 2.069 0.015 2 134 13 13 ILE HG2 H 0.992 0.012 1 135 13 13 ILE C C 178.339 0.019 1 136 13 13 ILE CA C 64.614 0.146 1 137 13 13 ILE CB C 37.432 0.262 1 138 13 13 ILE CD1 C 12.636 0.200 1 139 13 13 ILE CG1 C 29.478 0.106 1 140 13 13 ILE CG2 C 17.241 0.232 1 141 13 13 ILE N N 115.765 0.054 1 142 14 14 GLY H H 8.849 0.011 1 143 14 14 GLY HA2 H 3.712 0.021 1 144 14 14 GLY HA3 H 3.712 0.021 1 145 14 14 GLY C C 175.146 0.018 1 146 14 14 GLY CA C 47.659 0.142 1 147 14 14 GLY N N 107.025 0.044 1 148 15 15 MET H H 8.516 0.014 1 149 15 15 MET HA H 4.460 0.009 1 150 15 15 MET HE H 2.197 0.009 1 151 15 15 MET C C 181.077 0.002 1 152 15 15 MET CA C 57.121 0.098 1 153 15 15 MET CB C 30.113 0.020 1 154 15 15 MET CE C 19.690 0.103 1 155 15 15 MET N N 117.087 0.059 1 156 16 16 LEU H H 8.994 0.010 1 157 16 16 LEU HA H 4.110 0.017 1 158 16 16 LEU HB2 H 1.972 0.015 2 159 16 16 LEU HB3 H 2.117 0.009 2 160 16 16 LEU HD1 H 0.993 0.017 2 161 16 16 LEU HD2 H 0.994 0.018 2 162 16 16 LEU C C 178.165 0.009 1 163 16 16 LEU CA C 58.440 0.162 1 164 16 16 LEU CB C 41.911 0.230 1 165 16 16 LEU CD1 C 24.989 0.067 2 166 16 16 LEU CD2 C 23.406 0.103 2 167 16 16 LEU N N 124.293 0.081 1 168 17 17 VAL H H 8.668 0.009 1 169 17 17 VAL HA H 3.601 0.015 1 170 17 17 VAL HB H 2.399 0.017 1 171 17 17 VAL HG1 H 0.999 0.017 2 172 17 17 VAL HG2 H 1.162 0.008 2 173 17 17 VAL C C 177.932 0.000 1 174 17 17 VAL CA C 67.286 0.121 1 175 17 17 VAL CB C 30.810 0.338 1 176 17 17 VAL CG1 C 21.486 0.091 2 177 17 17 VAL CG2 C 22.997 0.034 2 178 17 17 VAL N N 118.238 0.048 1 179 18 18 GLY H H 7.971 0.009 1 180 18 18 GLY HA2 H 3.558 0.027 1 181 18 18 GLY HA3 H 3.558 0.027 1 182 18 18 GLY C C 172.171 0.002 1 183 18 18 GLY CA C 47.686 0.008 1 184 18 18 GLY N N 103.601 0.064 1 185 19 19 THR H H 8.418 0.011 1 186 19 19 THR HA H 4.842 0.030 1 187 19 19 THR HB H 4.608 0.024 1 188 19 19 THR HG2 H 1.429 0.010 1 189 19 19 THR CA C 68.240 0.000 1 190 19 19 THR CG2 C 21.363 0.082 1 191 19 19 THR N N 116.322 0.099 1 192 20 20 LEU H H 8.232 0.017 1 193 20 20 LEU HA H 4.127 0.013 1 194 20 20 LEU HB2 H 1.531 0.019 2 195 20 20 LEU HB3 H 2.061 0.018 2 196 20 20 LEU HD1 H 0.961 0.014 2 197 20 20 LEU HD2 H 0.963 0.012 2 198 20 20 LEU HG H 2.069 0.016 1 199 20 20 LEU C C 178.200 0.018 1 200 20 20 LEU CA C 57.970 0.104 1 201 20 20 LEU CB C 41.484 0.313 1 202 20 20 LEU CD1 C 22.765 0.110 2 203 20 20 LEU CD2 C 25.235 0.069 2 204 20 20 LEU CG C 26.764 0.112 1 205 20 20 LEU N N 118.072 0.063 1 206 21 21 ALA H H 8.182 0.010 1 207 21 21 ALA HA H 4.247 0.008 1 208 21 21 ALA HB H 1.520 0.018 1 209 21 21 ALA C C 180.160 0.004 1 210 21 21 ALA CA C 55.509 0.127 1 211 21 21 ALA CB C 17.868 0.198 1 212 21 21 ALA N N 120.549 0.058 1 213 22 22 PHE H H 8.751 0.015 1 214 22 22 PHE HA H 4.880 0.008 1 215 22 22 PHE HB2 H 3.363 0.015 2 216 22 22 PHE HB3 H 3.533 0.014 2 217 22 22 PHE HD1 H 7.204 0.016 3 218 22 22 PHE HD2 H 7.204 0.016 3 219 22 22 PHE HE1 H 7.142 0.020 3 220 22 22 PHE HE2 H 7.142 0.020 3 221 22 22 PHE C C 178.064 0.004 1 222 22 22 PHE CA C 58.324 0.192 1 223 22 22 PHE CB C 37.253 0.187 1 224 22 22 PHE CD1 C 131.971 0.033 3 225 22 22 PHE CD2 C 131.971 0.033 3 226 22 22 PHE CE1 C 131.815 0.136 3 227 22 22 PHE CE2 C 131.815 0.136 3 228 22 22 PHE N N 117.331 0.052 1 229 23 23 ALA H H 8.594 0.013 1 230 23 23 ALA HA H 4.221 0.016 1 231 23 23 ALA HB H 1.701 0.009 1 232 23 23 ALA C C 179.392 0.010 1 233 23 23 ALA CA C 54.809 0.133 1 234 23 23 ALA CB C 17.980 0.204 1 235 23 23 ALA N N 120.566 0.035 1 236 24 24 TRP H H 8.794 0.018 1 237 24 24 TRP HA H 4.347 0.011 1 238 24 24 TRP HB2 H 3.529 0.010 2 239 24 24 TRP HB3 H 3.640 0.014 2 240 24 24 TRP HD1 H 7.271 0.009 1 241 24 24 TRP HE1 H 10.360 0.005 1 242 24 24 TRP HE3 H 7.629 0.014 1 243 24 24 TRP HH2 H 7.323 0.006 1 244 24 24 TRP HZ2 H 7.624 0.005 1 245 24 24 TRP HZ3 H 7.167 0.004 1 246 24 24 TRP C C 179.822 0.008 1 247 24 24 TRP CA C 60.535 0.157 1 248 24 24 TRP CB C 29.317 0.156 1 249 24 24 TRP CD1 C 125.995 0.045 1 250 24 24 TRP CE3 C 119.704 0.072 1 251 24 24 TRP CH2 C 124.344 0.062 1 252 24 24 TRP CZ2 C 114.586 0.029 1 253 24 24 TRP CZ3 C 121.319 0.031 1 254 24 24 TRP N N 117.880 0.071 1 255 24 24 TRP NE1 N 128.919 0.041 1 256 25 25 ALA H H 8.759 0.009 1 257 25 25 ALA HA H 4.074 0.015 1 258 25 25 ALA HB H 1.891 0.008 1 259 25 25 ALA C C 179.088 0.014 1 260 25 25 ALA CA C 54.553 0.116 1 261 25 25 ALA CB C 18.886 0.173 1 262 25 25 ALA N N 120.186 0.059 1 263 26 26 GLY H H 7.818 0.013 1 264 26 26 GLY HA2 H 3.032 0.005 2 265 26 26 GLY HA3 H 3.161 0.004 2 266 26 26 GLY C C 175.440 0.000 1 267 26 26 GLY CA C 44.734 0.010 1 268 26 26 GLY N N 102.977 0.059 1 269 27 27 ARG H H 7.366 0.013 1 270 27 27 ARG HA H 4.039 0.009 1 271 27 27 ARG HB2 H 1.768 0.007 2 272 27 27 ARG HB3 H 1.900 0.013 2 273 27 27 ARG HD2 H 3.057 0.021 2 274 27 27 ARG HD3 H 3.165 0.000 2 275 27 27 ARG HG2 H 1.474 0.026 2 276 27 27 ARG HG3 H 1.644 0.000 2 277 27 27 ARG C C 176.151 0.039 1 278 27 27 ARG CA C 59.003 0.062 1 279 27 27 ARG CB C 29.169 0.261 1 280 27 27 ARG N N 120.002 0.062 1 281 28 28 ASP H H 7.923 0.016 1 282 28 28 ASP HA H 4.948 0.005 1 283 28 28 ASP HB2 H 2.532 0.021 2 284 28 28 ASP HB3 H 2.830 0.016 2 285 28 28 ASP C C 175.963 0.001 1 286 28 28 ASP CA C 53.081 0.081 1 287 28 28 ASP CB C 40.852 0.120 1 288 28 28 ASP N N 117.175 0.050 1 289 29 29 ALA H H 7.324 0.008 1 290 29 29 ALA HA H 4.336 0.006 1 291 29 29 ALA HB H 1.476 0.015 1 292 29 29 ALA C C 178.642 0.004 1 293 29 29 ALA CA C 52.461 0.057 1 294 29 29 ALA CB C 19.811 0.193 1 295 29 29 ALA N N 122.363 0.049 1 296 30 30 GLY H H 8.874 0.011 1 297 30 30 GLY HA2 H 4.145 0.022 2 298 30 30 GLY HA3 H 4.147 0.023 2 299 30 30 GLY C C 175.076 0.000 1 300 30 30 GLY CA C 44.344 0.100 1 301 30 30 GLY N N 108.736 0.063 1 302 31 31 SER H H 8.753 0.006 1 303 31 31 SER HA H 4.710 0.007 1 304 31 31 SER N N 114.719 0.018 1 305 32 32 GLY H H 9.102 0.005 1 306 32 32 GLY C C 175.442 0.000 1 307 32 32 GLY CA C 46.267 0.000 1 308 32 32 GLY N N 109.982 0.027 1 309 33 33 GLU H H 8.201 0.014 1 310 33 33 GLU HB2 H 1.911 0.009 2 311 33 33 GLU HB3 H 2.088 0.002 2 312 33 33 GLU HG2 H 2.502 0.009 1 313 33 33 GLU HG3 H 2.502 0.009 1 314 33 33 GLU C C 178.491 0.006 1 315 33 33 GLU CA C 57.258 0.026 1 316 33 33 GLU CB C 30.730 0.001 1 317 33 33 GLU N N 118.265 0.093 1 318 34 34 ARG H H 8.353 0.009 1 319 34 34 ARG HA H 4.773 0.020 1 320 34 34 ARG C C 177.833 0.014 1 321 34 34 ARG CA C 60.689 0.001 1 322 34 34 ARG CB C 29.625 0.023 1 323 34 34 ARG N N 120.275 0.037 1 324 35 35 ARG H H 8.493 0.012 1 325 35 35 ARG HA H 4.245 0.011 1 326 35 35 ARG C C 178.510 0.011 1 327 35 35 ARG CA C 58.841 0.144 1 328 35 35 ARG CB C 29.053 0.102 1 329 35 35 ARG N N 115.086 0.066 1 330 36 36 TYR H H 7.725 0.007 1 331 36 36 TYR HA H 4.099 0.024 1 332 36 36 TYR HB2 H 2.906 0.017 2 333 36 36 TYR HB3 H 2.990 0.026 2 334 36 36 TYR HD1 H 6.691 0.018 3 335 36 36 TYR HD2 H 6.691 0.018 3 336 36 36 TYR HE1 H 6.627 0.015 3 337 36 36 TYR HE2 H 6.627 0.015 3 338 36 36 TYR C C 177.695 0.002 1 339 36 36 TYR CA C 62.066 0.164 1 340 36 36 TYR CB C 37.465 0.178 1 341 36 36 TYR CD1 C 132.033 0.076 3 342 36 36 TYR CD2 C 132.033 0.076 3 343 36 36 TYR CE1 C 118.349 0.031 3 344 36 36 TYR CE2 C 118.349 0.031 3 345 36 36 TYR N N 118.149 0.052 1 346 37 37 TYR H H 7.383 0.014 1 347 37 37 TYR HA H 4.296 0.013 1 348 37 37 TYR HB2 H 3.158 0.005 2 349 37 37 TYR HB3 H 3.274 0.012 2 350 37 37 TYR HD1 H 7.361 0.013 3 351 37 37 TYR HD2 H 7.361 0.013 3 352 37 37 TYR HE1 H 6.871 0.009 3 353 37 37 TYR HE2 H 6.871 0.009 3 354 37 37 TYR C C 178.356 0.015 1 355 37 37 TYR CA C 62.678 0.143 1 356 37 37 TYR CB C 38.422 0.259 1 357 37 37 TYR CD1 C 132.452 0.090 3 358 37 37 TYR CD2 C 132.452 0.090 3 359 37 37 TYR CE1 C 118.261 0.168 3 360 37 37 TYR CE2 C 118.261 0.168 3 361 37 37 TYR N N 116.158 0.088 1 362 38 38 VAL H H 8.796 0.012 1 363 38 38 VAL HA H 3.778 0.014 1 364 38 38 VAL HB H 2.305 0.010 1 365 38 38 VAL HG1 H 1.171 0.011 2 366 38 38 VAL HG2 H 1.292 0.009 2 367 38 38 VAL C C 177.535 0.023 1 368 38 38 VAL CA C 66.739 0.114 1 369 38 38 VAL CB C 31.340 0.193 1 370 38 38 VAL CG1 C 21.748 0.207 2 371 38 38 VAL CG2 C 23.239 0.106 2 372 38 38 VAL N N 117.057 0.052 1 373 39 39 THR H H 7.728 0.011 1 374 39 39 THR HA H 4.041 0.016 1 375 39 39 THR HB H 4.747 0.023 1 376 39 39 THR HG2 H 1.751 0.016 1 377 39 39 THR C C 175.958 0.000 1 378 39 39 THR CA C 68.889 0.150 1 379 39 39 THR CB C 67.835 0.110 1 380 39 39 THR CG2 C 23.941 0.076 1 381 39 39 THR N N 115.513 0.071 1 382 40 40 LEU H H 7.531 0.012 1 383 40 40 LEU HA H 4.152 0.013 1 384 40 40 LEU HB2 H 1.008 0.011 2 385 40 40 LEU HB3 H 2.073 0.009 2 386 40 40 LEU HD1 H 0.412 0.015 2 387 40 40 LEU HD2 H 0.515 0.011 2 388 40 40 LEU HG H 2.078 0.005 1 389 40 40 LEU C C 178.734 0.017 1 390 40 40 LEU CA C 58.361 0.114 1 391 40 40 LEU CB C 40.533 0.310 1 392 40 40 LEU CD1 C 21.852 0.097 2 393 40 40 LEU CD2 C 25.294 0.157 2 394 40 40 LEU CG C 25.772 0.044 1 395 40 40 LEU N N 118.372 0.101 1 396 41 41 VAL H H 8.318 0.012 1 397 41 41 VAL HA H 4.078 0.017 1 398 41 41 VAL HB H 2.587 0.015 1 399 41 41 VAL HG1 H 1.163 0.015 2 400 41 41 VAL HG2 H 1.460 0.013 2 401 41 41 VAL C C 178.300 0.023 1 402 41 41 VAL CA C 66.756 0.085 1 403 41 41 VAL CB C 31.229 0.223 1 404 41 41 VAL CG1 C 21.593 0.114 2 405 41 41 VAL CG2 C 23.923 0.051 2 406 41 41 VAL N N 117.530 0.080 1 407 42 42 GLY H H 8.567 0.013 1 408 42 42 GLY HA2 H 3.682 0.014 2 409 42 42 GLY HA3 H 3.876 0.000 2 410 42 42 GLY C C 173.915 0.038 1 411 42 42 GLY CA C 47.601 0.159 1 412 42 42 GLY N N 105.884 0.054 1 413 43 43 ILE H H 8.299 0.017 1 414 43 43 ILE HA H 3.670 0.020 1 415 43 43 ILE HB H 2.053 0.015 1 416 43 43 ILE HD1 H 0.855 0.010 1 417 43 43 ILE HG2 H 1.002 0.024 1 418 43 43 ILE C C 176.163 0.036 1 419 43 43 ILE CA C 65.973 0.192 1 420 43 43 ILE CB C 37.980 0.111 1 421 43 43 ILE CD1 C 14.574 0.102 1 422 43 43 ILE CG2 C 16.759 0.195 1 423 43 43 ILE N N 119.666 0.081 1 424 44 44 SER H H 8.004 0.010 1 425 44 44 SER HA H 4.633 0.013 1 426 44 44 SER C C 177.002 0.000 1 427 44 44 SER CA C 61.356 0.154 1 428 44 44 SER CB C 63.573 0.013 1 429 44 44 SER N N 109.077 0.071 1 430 45 45 GLY H H 9.071 0.007 1 431 45 45 GLY HA2 H 3.800 0.017 2 432 45 45 GLY HA3 H 4.024 0.027 2 433 45 45 GLY C C 175.923 0.028 1 434 45 45 GLY CA C 47.485 0.122 1 435 45 45 GLY N N 113.906 0.045 1 436 46 46 ILE H H 8.229 0.011 1 437 46 46 ILE HA H 3.632 0.015 1 438 46 46 ILE HB H 2.021 0.026 1 439 46 46 ILE HD1 H 0.893 0.015 1 440 46 46 ILE HG12 H 1.729 0.039 2 441 46 46 ILE HG13 H 2.059 0.014 2 442 46 46 ILE HG2 H 0.941 0.010 1 443 46 46 ILE C C 177.626 0.019 1 444 46 46 ILE CA C 65.784 0.133 1 445 46 46 ILE CB C 36.491 0.342 1 446 46 46 ILE CD1 C 12.780 0.069 1 447 46 46 ILE CG1 C 30.650 0.170 1 448 46 46 ILE CG2 C 17.465 0.108 1 449 46 46 ILE N N 119.868 0.081 1 450 47 47 ALA H H 6.899 0.010 1 451 47 47 ALA HA H 4.630 0.013 1 452 47 47 ALA HB H 1.985 0.011 1 453 47 47 ALA C C 180.263 0.010 1 454 47 47 ALA CA C 55.184 0.156 1 455 47 47 ALA CB C 18.717 0.194 1 456 47 47 ALA N N 120.157 0.069 1 457 48 48 ALA H H 8.645 0.016 1 458 48 48 ALA HA H 4.240 0.015 1 459 48 48 ALA HB H 1.687 0.021 1 460 48 48 ALA C C 179.464 0.012 1 461 48 48 ALA CA C 56.067 0.040 1 462 48 48 ALA CB C 17.568 0.158 1 463 48 48 ALA N N 119.316 0.084 1 464 49 49 VAL H H 7.688 0.013 1 465 49 49 VAL HA H 3.608 0.013 1 466 49 49 VAL HB H 2.432 0.016 1 467 49 49 VAL HG1 H 0.987 0.014 2 468 49 49 VAL HG2 H 1.206 0.016 2 469 49 49 VAL C C 177.270 0.000 1 470 49 49 VAL CA C 66.757 0.152 1 471 49 49 VAL CB C 31.159 0.239 1 472 49 49 VAL CG1 C 21.721 0.099 2 473 49 49 VAL CG2 C 22.806 0.082 2 474 49 49 VAL N N 114.846 0.050 1 475 50 50 ALA H H 8.553 0.008 1 476 50 50 ALA HA H 3.801 0.010 1 477 50 50 ALA HB H 1.447 0.010 1 478 50 50 ALA C C 179.666 0.024 1 479 50 50 ALA CA C 56.107 0.125 1 480 50 50 ALA CB C 18.888 0.238 1 481 50 50 ALA N N 121.707 0.063 1 482 51 51 TYR H H 8.965 0.009 1 483 51 51 TYR HA H 3.884 0.019 1 484 51 51 TYR HB2 H 2.952 0.015 2 485 51 51 TYR HB3 H 3.487 0.017 2 486 51 51 TYR HD1 H 7.590 0.019 3 487 51 51 TYR HD2 H 7.590 0.019 3 488 51 51 TYR HE1 H 7.149 0.009 3 489 51 51 TYR HE2 H 7.149 0.009 3 490 51 51 TYR C C 178.102 0.019 1 491 51 51 TYR CA C 64.787 0.195 1 492 51 51 TYR CB C 36.816 0.183 1 493 51 51 TYR CD1 C 132.492 0.091 3 494 51 51 TYR CD2 C 132.492 0.091 3 495 51 51 TYR CE1 C 118.122 0.164 3 496 51 51 TYR CE2 C 118.122 0.164 3 497 51 51 TYR N N 114.706 0.048 1 498 52 52 ALA H H 8.318 0.009 1 499 52 52 ALA HA H 3.607 0.011 1 500 52 52 ALA HB H 1.602 0.013 1 501 52 52 ALA C C 178.624 0.037 1 502 52 52 ALA CA C 54.905 0.135 1 503 52 52 ALA CB C 17.900 0.219 1 504 52 52 ALA N N 120.849 0.055 1 505 53 53 VAL H H 8.420 0.011 1 506 53 53 VAL HA H 3.677 0.021 1 507 53 53 VAL HB H 2.306 0.011 1 508 53 53 VAL HG1 H 0.988 0.013 2 509 53 53 VAL HG2 H 1.130 0.016 2 510 53 53 VAL C C 178.694 0.000 1 511 53 53 VAL CA C 66.619 0.174 1 512 53 53 VAL CB C 30.907 0.424 1 513 53 53 VAL CG1 C 22.461 0.214 2 514 53 53 VAL CG2 C 22.808 0.130 2 515 53 53 VAL N N 112.833 0.043 1 516 54 54 MET H H 7.682 0.010 1 517 54 54 MET HA H 4.386 0.015 1 518 54 54 MET HE H 1.271 0.007 1 519 54 54 MET C C 180.603 0.030 1 520 54 54 MET CA C 60.502 0.137 1 521 54 54 MET CB C 29.973 0.053 1 522 54 54 MET CE C 15.343 0.093 1 523 54 54 MET N N 118.032 0.040 1 524 55 55 ALA H H 8.433 0.013 1 525 55 55 ALA HA H 4.082 0.010 1 526 55 55 ALA HB H 0.198 0.016 1 527 55 55 ALA C C 178.577 0.008 1 528 55 55 ALA CA C 55.314 0.104 1 529 55 55 ALA CB C 14.925 0.141 1 530 55 55 ALA N N 123.882 0.067 1 531 56 56 LEU H H 7.419 0.009 1 532 56 56 LEU HA H 4.397 0.014 1 533 56 56 LEU HB2 H 1.848 0.018 2 534 56 56 LEU HB3 H 2.071 0.017 2 535 56 56 LEU HD1 H 1.059 0.021 2 536 56 56 LEU HD2 H 1.295 0.007 2 537 56 56 LEU HG H 2.160 0.015 1 538 56 56 LEU C C 177.381 0.050 1 539 56 56 LEU CA C 54.774 0.154 1 540 56 56 LEU CB C 41.826 0.352 1 541 56 56 LEU CD1 C 25.772 0.115 2 542 56 56 LEU CD2 C 23.334 0.108 2 543 56 56 LEU CG C 26.321 0.044 1 544 56 56 LEU N N 115.114 0.062 1 545 57 57 GLY H H 8.179 0.009 1 546 57 57 GLY HA2 H 3.767 0.007 1 547 57 57 GLY HA3 H 3.767 0.007 1 548 57 57 GLY C C 174.034 0.000 1 549 57 57 GLY CA C 44.324 0.082 1 550 57 57 GLY N N 106.317 0.091 1 551 58 58 VAL H H 7.780 0.019 1 552 58 58 VAL HA H 3.990 0.011 1 553 58 58 VAL HB H 2.061 0.008 1 554 58 58 VAL HG1 H 0.915 0.024 2 555 58 58 VAL HG2 H 0.949 0.019 2 556 58 58 VAL C C 175.724 0.032 1 557 58 58 VAL CA C 62.338 0.086 1 558 58 58 VAL CB C 31.471 0.217 1 559 58 58 VAL CG1 C 21.186 0.197 2 560 58 58 VAL CG2 C 21.564 0.061 2 561 58 58 VAL N N 121.958 0.117 1 562 59 59 GLY H H 8.927 0.007 1 563 59 59 GLY HA2 H 3.697 0.021 1 564 59 59 GLY HA3 H 3.697 0.021 1 565 59 59 GLY C C 173.840 0.028 1 566 59 59 GLY CA C 45.898 0.021 1 567 59 59 GLY N N 111.260 0.069 1 568 60 60 TRP H H 8.516 0.012 1 569 60 60 TRP HA H 5.173 0.019 1 570 60 60 TRP HB2 H 3.043 0.009 2 571 60 60 TRP HB3 H 3.656 0.017 2 572 60 60 TRP HD1 H 7.150 0.009 1 573 60 60 TRP HE1 H 10.285 0.009 1 574 60 60 TRP HE3 H 7.860 0.005 1 575 60 60 TRP HH2 H 7.531 0.017 1 576 60 60 TRP HZ2 H 7.738 0.010 1 577 60 60 TRP HZ3 H 7.496 0.023 1 578 60 60 TRP C C 176.051 0.051 1 579 60 60 TRP CA C 54.906 0.058 1 580 60 60 TRP CB C 26.951 0.095 1 581 60 60 TRP CD1 C 123.002 0.065 1 582 60 60 TRP CE3 C 120.939 0.032 1 583 60 60 TRP CH2 C 125.070 0.085 1 584 60 60 TRP CZ2 C 113.696 0.113 1 585 60 60 TRP CZ3 C 122.023 0.060 1 586 60 60 TRP N N 121.898 0.050 1 587 60 60 TRP NE1 N 126.794 0.063 1 588 61 61 VAL H H 9.171 0.012 1 589 61 61 VAL HA H 4.778 0.012 1 590 61 61 VAL HB H 2.201 0.003 1 591 61 61 VAL HG1 H 1.039 0.021 2 592 61 61 VAL HG2 H 1.101 0.018 2 593 61 61 VAL C C 173.658 0.000 1 594 61 61 VAL CA C 59.797 0.019 1 595 61 61 VAL CB C 34.497 0.288 1 596 61 61 VAL CG1 C 20.850 0.222 2 597 61 61 VAL CG2 C 22.072 0.073 2 598 61 61 VAL N N 126.023 0.044 1 599 62 62 PRO HA H 5.127 0.010 1 600 62 62 PRO HB2 H 2.139 0.016 2 601 62 62 PRO HB3 H 2.363 0.014 2 602 62 62 PRO C C 177.126 0.000 1 603 62 62 PRO CA C 62.159 0.102 1 604 62 62 PRO CB C 31.313 0.110 1 605 63 63 VAL H H 8.635 0.015 1 606 63 63 VAL HA H 4.069 0.020 1 607 63 63 VAL HB H 1.883 0.017 1 608 63 63 VAL HG1 H 0.827 0.011 2 609 63 63 VAL HG2 H 1.033 0.012 2 610 63 63 VAL C C 174.817 0.020 1 611 63 63 VAL CA C 62.123 0.089 1 612 63 63 VAL CB C 34.389 0.083 1 613 63 63 VAL CG1 C 20.504 0.067 2 614 63 63 VAL CG2 C 21.318 0.096 2 615 63 63 VAL N N 125.521 0.070 1 616 64 64 ALA H H 8.917 0.013 1 617 64 64 ALA HA H 4.024 0.022 1 618 64 64 ALA HB H 1.649 0.011 1 619 64 64 ALA C C 177.236 0.012 1 620 64 64 ALA CA C 54.191 0.160 1 621 64 64 ALA CB C 17.261 0.201 1 622 64 64 ALA N N 127.584 0.040 1 623 65 65 GLU H H 8.596 0.013 1 624 65 65 GLU HA H 4.554 0.001 1 625 65 65 GLU HB2 H 2.417 0.022 1 626 65 65 GLU HB3 H 2.417 0.022 1 627 65 65 GLU HG2 H 2.216 0.008 1 628 65 65 GLU HG3 H 2.216 0.008 1 629 65 65 GLU C C 176.034 0.004 1 630 65 65 GLU CA C 56.960 0.151 1 631 65 65 GLU CB C 28.188 0.054 1 632 65 65 GLU N N 119.516 0.081 1 633 66 66 ARG H H 8.690 0.015 1 634 66 66 ARG HA H 4.971 0.011 1 635 66 66 ARG HD2 H 3.161 0.023 2 636 66 66 ARG HD3 H 3.195 0.025 2 637 66 66 ARG C C 175.175 0.028 1 638 66 66 ARG CA C 54.372 0.005 1 639 66 66 ARG CB C 31.892 0.016 1 640 66 66 ARG N N 120.574 0.070 1 641 67 67 THR H H 8.126 0.008 1 642 67 67 THR HA H 4.528 0.017 1 643 67 67 THR HB H 3.563 0.010 1 644 67 67 THR HG2 H 0.609 0.013 1 645 67 67 THR C C 173.399 0.039 1 646 67 67 THR CA C 62.502 0.139 1 647 67 67 THR CB C 69.772 0.173 1 648 67 67 THR CG2 C 21.746 0.123 1 649 67 67 THR N N 117.397 0.061 1 650 68 68 VAL H H 9.302 0.011 1 651 68 68 VAL HA H 4.051 0.016 1 652 68 68 VAL HB H 2.177 0.019 1 653 68 68 VAL HG1 H 1.040 0.022 2 654 68 68 VAL HG2 H 1.016 0.023 2 655 68 68 VAL C C 174.589 0.001 1 656 68 68 VAL CA C 60.878 0.127 1 657 68 68 VAL CB C 32.737 0.121 1 658 68 68 VAL CG1 C 21.339 0.075 2 659 68 68 VAL CG2 C 21.758 0.164 2 660 68 68 VAL N N 127.632 0.057 1 661 69 69 PHE H H 8.125 0.010 1 662 69 69 PHE HA H 5.102 0.021 1 663 69 69 PHE HB2 H 2.767 0.012 2 664 69 69 PHE HB3 H 3.215 0.014 2 665 69 69 PHE HD1 H 6.727 0.015 3 666 69 69 PHE HD2 H 6.727 0.015 3 667 69 69 PHE HE1 H 6.330 0.010 3 668 69 69 PHE HE2 H 6.330 0.010 3 669 69 69 PHE HZ H 6.687 0.014 1 670 69 69 PHE C C 175.117 0.034 1 671 69 69 PHE CA C 55.418 0.180 1 672 69 69 PHE CB C 38.208 0.196 1 673 69 69 PHE CD1 C 131.132 0.185 3 674 69 69 PHE CD2 C 131.132 0.185 3 675 69 69 PHE CE1 C 130.726 0.066 3 676 69 69 PHE CE2 C 130.726 0.066 3 677 69 69 PHE CZ C 128.371 0.022 1 678 69 69 PHE N N 126.002 0.096 1 679 70 70 VAL H H 8.759 0.011 1 680 70 70 VAL HA H 3.950 0.016 1 681 70 70 VAL HB H 2.548 0.021 1 682 70 70 VAL HG1 H 1.161 0.023 2 683 70 70 VAL HG2 H 1.411 0.015 2 684 70 70 VAL CA C 68.504 0.101 1 685 70 70 VAL CB C 30.260 0.371 1 686 70 70 VAL CG1 C 21.791 0.126 2 687 70 70 VAL CG2 C 24.294 0.105 2 688 70 70 VAL N N 122.936 0.049 1 689 71 71 PRO C C 174.873 0.000 1 690 71 71 PRO CA C 65.883 0.000 1 691 72 72 ARG H H 6.547 0.008 1 692 72 72 ARG HA H 3.773 0.013 1 693 72 72 ARG HG2 H 1.810 0.023 1 694 72 72 ARG HG3 H 1.810 0.023 1 695 72 72 ARG C C 174.792 0.000 1 696 72 72 ARG CA C 57.371 0.092 1 697 72 72 ARG CB C 29.420 0.057 1 698 72 72 ARG N N 115.901 0.054 1 699 73 73 TYR H H 6.364 0.009 1 700 73 73 TYR HA H 3.963 0.013 1 701 73 73 TYR HB2 H 2.480 0.022 2 702 73 73 TYR HB3 H 3.535 0.016 2 703 73 73 TYR HD1 H 7.057 0.016 3 704 73 73 TYR HD2 H 7.057 0.016 3 705 73 73 TYR HE1 H 6.825 0.008 3 706 73 73 TYR HE2 H 6.825 0.008 3 707 73 73 TYR C C 177.663 0.000 1 708 73 73 TYR CA C 60.680 0.077 1 709 73 73 TYR CB C 37.493 0.301 1 710 73 73 TYR CD1 C 132.612 0.054 3 711 73 73 TYR CD2 C 132.612 0.054 3 712 73 73 TYR CE1 C 117.762 0.028 3 713 73 73 TYR CE2 C 117.762 0.028 3 714 73 73 TYR N N 111.964 0.050 1 715 74 74 ILE H H 7.204 0.018 1 716 74 74 ILE HA H 3.517 0.011 1 717 74 74 ILE HB H 1.819 0.014 1 718 74 74 ILE HD1 H 0.704 0.006 1 719 74 74 ILE HG12 H 1.208 0.021 2 720 74 74 ILE HG13 H 1.434 0.012 2 721 74 74 ILE HG2 H 0.875 0.010 1 722 74 74 ILE C C 175.979 0.027 1 723 74 74 ILE CA C 64.130 0.125 1 724 74 74 ILE CB C 36.017 0.310 1 725 74 74 ILE CD1 C 11.421 0.056 1 726 74 74 ILE CG1 C 27.868 0.211 1 727 74 74 ILE CG2 C 17.281 0.100 1 728 74 74 ILE N N 117.135 0.066 1 729 75 75 ASP H H 7.750 0.013 1 730 75 75 ASP HA H 3.961 0.016 1 731 75 75 ASP HB2 H 2.494 0.011 2 732 75 75 ASP HB3 H 3.209 0.018 2 733 75 75 ASP C C 177.988 0.024 1 734 75 75 ASP CA C 57.073 0.043 1 735 75 75 ASP CB C 39.700 0.286 1 736 75 75 ASP N N 116.691 0.070 1 737 76 76 TRP H H 8.130 0.013 1 738 76 76 TRP HA H 4.407 0.020 1 739 76 76 TRP HD1 H 7.059 0.017 1 740 76 76 TRP HE1 H 9.802 0.005 1 741 76 76 TRP HH2 H 7.418 0.015 1 742 76 76 TRP HZ2 H 7.777 0.004 1 743 76 76 TRP C C 180.725 0.012 1 744 76 76 TRP CA C 58.568 0.126 1 745 76 76 TRP CB C 28.622 0.028 1 746 76 76 TRP CH2 C 122.600 0.061 1 747 76 76 TRP CZ2 C 114.574 0.071 1 748 76 76 TRP N N 114.647 0.072 1 749 76 76 TRP NE1 N 126.916 0.042 1 750 77 77 ILE H H 8.470 0.011 1 751 77 77 ILE HA H 3.662 0.016 1 752 77 77 ILE HB H 2.047 0.010 1 753 77 77 ILE HD1 H 0.869 0.009 1 754 77 77 ILE HG12 H 1.099 0.019 2 755 77 77 ILE HG13 H 2.048 0.014 2 756 77 77 ILE HG2 H 0.991 0.010 1 757 77 77 ILE C C 174.111 0.062 1 758 77 77 ILE CA C 65.767 0.397 1 759 77 77 ILE CB C 37.911 0.135 1 760 77 77 ILE CD1 C 14.428 0.065 1 761 77 77 ILE CG1 C 31.700 0.204 1 762 77 77 ILE CG2 C 16.640 0.165 1 763 77 77 ILE N N 119.413 0.060 1 764 78 78 LEU H H 7.701 0.015 1 765 78 78 LEU HA H 4.521 0.011 1 766 78 78 LEU HB2 H 1.480 0.013 2 767 78 78 LEU HB3 H 2.305 0.024 2 768 78 78 LEU HD1 H 0.878 0.012 2 769 78 78 LEU HD2 H 0.884 0.011 2 770 78 78 LEU HG H 2.140 0.014 1 771 78 78 LEU C C 177.864 0.005 1 772 78 78 LEU CA C 56.204 0.064 1 773 78 78 LEU CB C 43.740 0.231 1 774 78 78 LEU CD1 C 25.817 0.112 2 775 78 78 LEU CD2 C 22.310 0.088 2 776 78 78 LEU CG C 25.772 0.044 1 777 78 78 LEU N N 115.111 0.112 1 778 79 79 THR H H 9.955 0.013 1 779 79 79 THR HA H 4.370 0.018 1 780 79 79 THR HB H 4.199 0.023 1 781 79 79 THR HG2 H 1.714 0.009 1 782 79 79 THR C C 179.128 0.000 1 783 79 79 THR CA C 65.268 0.214 1 784 79 79 THR CB C 70.322 0.184 1 785 79 79 THR CG2 C 23.844 0.122 1 786 79 79 THR N N 106.815 0.107 1 787 80 80 THR H H 8.326 0.016 1 788 80 80 THR HA H 4.378 0.017 1 789 80 80 THR HG2 H 0.451 0.008 1 790 80 80 THR CA C 67.982 0.034 1 791 80 80 THR CG2 C 20.806 0.141 1 792 80 80 THR N N 116.724 0.082 1 793 81 81 PRO HA H 4.480 0.016 1 794 81 81 PRO HD2 H 3.701 0.017 1 795 81 81 PRO HD3 H 3.701 0.017 1 796 81 81 PRO C C 178.802 0.000 1 797 81 81 PRO CA C 66.063 0.001 1 798 81 81 PRO CB C 30.237 0.000 1 799 82 82 LEU H H 6.924 0.010 1 800 82 82 LEU HA H 4.443 0.017 1 801 82 82 LEU HD1 H 1.017 0.025 2 802 82 82 LEU HD2 H 1.073 0.025 2 803 82 82 LEU HG H 2.296 0.023 1 804 82 82 LEU C C 179.194 0.029 1 805 82 82 LEU CA C 57.540 0.109 1 806 82 82 LEU CB C 41.036 0.168 1 807 82 82 LEU CD1 C 22.885 0.079 2 808 82 82 LEU CD2 C 25.524 0.115 2 809 82 82 LEU CG C 26.725 0.223 1 810 82 82 LEU N N 116.857 0.070 1 811 83 83 ILE H H 7.954 0.013 1 812 83 83 ILE HA H 4.375 0.008 1 813 83 83 ILE HD1 H 1.127 0.013 1 814 83 83 ILE HG2 H 0.863 0.004 1 815 83 83 ILE C C 178.374 0.007 1 816 83 83 ILE CA C 66.111 0.218 1 817 83 83 ILE CB C 37.275 0.017 1 818 83 83 ILE CD1 C 14.392 0.118 1 819 83 83 ILE CG1 C 29.893 0.000 1 820 83 83 ILE CG2 C 17.482 0.097 1 821 83 83 ILE N N 121.808 0.086 1 822 84 84 VAL H H 8.285 0.011 1 823 84 84 VAL HA H 3.776 0.013 1 824 84 84 VAL HB H 2.350 0.010 1 825 84 84 VAL HG1 H 1.070 0.024 2 826 84 84 VAL HG2 H 1.287 0.012 2 827 84 84 VAL C C 178.277 0.000 1 828 84 84 VAL CA C 67.314 0.077 1 829 84 84 VAL CB C 31.030 0.253 1 830 84 84 VAL CG1 C 23.208 0.092 2 831 84 84 VAL CG2 C 23.356 0.091 2 832 84 84 VAL N N 117.501 0.065 1 833 85 85 TYR H H 9.147 0.012 1 834 85 85 TYR HA H 4.665 0.014 1 835 85 85 TYR HB2 H 3.369 0.017 2 836 85 85 TYR HB3 H 3.583 0.018 2 837 85 85 TYR HD1 H 6.900 0.008 3 838 85 85 TYR HD2 H 6.900 0.008 3 839 85 85 TYR HE1 H 6.464 0.011 3 840 85 85 TYR HE2 H 6.464 0.011 3 841 85 85 TYR C C 176.282 0.023 1 842 85 85 TYR CA C 60.851 0.079 1 843 85 85 TYR CB C 38.154 0.007 1 844 85 85 TYR CD1 C 132.610 0.041 3 845 85 85 TYR CD2 C 132.610 0.041 3 846 85 85 TYR CE1 C 117.734 0.032 3 847 85 85 TYR CE2 C 117.734 0.032 3 848 85 85 TYR N N 121.672 0.059 1 849 86 86 PHE H H 8.700 0.014 1 850 86 86 PHE HA H 3.932 0.012 1 851 86 86 PHE HB2 H 2.463 0.016 2 852 86 86 PHE HB3 H 3.505 0.020 2 853 86 86 PHE HD1 H 7.363 0.012 3 854 86 86 PHE HD2 H 7.363 0.012 3 855 86 86 PHE HE1 H 7.000 0.013 3 856 86 86 PHE HE2 H 7.000 0.013 3 857 86 86 PHE HZ H 6.674 0.019 1 858 86 86 PHE C C 178.488 0.026 1 859 86 86 PHE CA C 62.211 0.110 1 860 86 86 PHE CB C 39.576 0.203 1 861 86 86 PHE CD1 C 131.302 0.048 3 862 86 86 PHE CD2 C 131.302 0.048 3 863 86 86 PHE CE1 C 128.330 0.116 3 864 86 86 PHE CE2 C 128.330 0.116 3 865 86 86 PHE CZ C 130.966 0.197 1 866 86 86 PHE N N 120.778 0.110 1 867 87 87 LEU H H 8.616 0.015 1 868 87 87 LEU HA H 4.417 0.011 1 869 87 87 LEU HD1 H 1.011 0.017 2 870 87 87 LEU HD2 H 1.054 0.024 2 871 87 87 LEU C C 179.253 0.000 1 872 87 87 LEU CA C 58.628 0.240 1 873 87 87 LEU CB C 41.253 0.001 1 874 87 87 LEU CD1 C 26.225 0.158 2 875 87 87 LEU CD2 C 23.638 0.120 2 876 87 87 LEU N N 115.827 0.068 1 877 88 88 GLY H H 9.492 0.011 1 878 88 88 GLY HA2 H 3.763 0.021 1 879 88 88 GLY HA3 H 3.763 0.021 1 880 88 88 GLY C C 176.197 0.031 1 881 88 88 GLY CA C 47.339 0.061 1 882 88 88 GLY N N 107.327 0.056 1 883 89 89 LEU H H 9.034 0.015 1 884 89 89 LEU HA H 4.257 0.011 1 885 89 89 LEU HB2 H 1.400 0.011 2 886 89 89 LEU HB3 H 1.899 0.011 2 887 89 89 LEU HD1 H 0.631 0.012 2 888 89 89 LEU HD2 H 0.209 0.008 2 889 89 89 LEU HG H 1.263 0.014 1 890 89 89 LEU C C 181.242 0.004 1 891 89 89 LEU CA C 57.439 0.067 1 892 89 89 LEU CB C 41.638 0.271 1 893 89 89 LEU CD1 C 22.309 0.098 2 894 89 89 LEU CD2 C 24.492 0.084 2 895 89 89 LEU CG C 25.583 0.025 1 896 89 89 LEU N N 125.092 0.061 1 897 90 90 LEU H H 7.841 0.009 1 898 90 90 LEU HA H 4.152 0.011 1 899 90 90 LEU HB2 H 1.680 0.021 2 900 90 90 LEU HB3 H 2.466 0.016 2 901 90 90 LEU HD1 H 0.939 0.024 2 902 90 90 LEU HD2 H 1.102 0.023 2 903 90 90 LEU HG H 2.110 0.018 1 904 90 90 LEU C C 178.393 0.003 1 905 90 90 LEU CA C 57.384 0.047 1 906 90 90 LEU CB C 42.687 0.345 1 907 90 90 LEU CD1 C 23.789 0.080 2 908 90 90 LEU CD2 C 27.119 0.121 2 909 90 90 LEU CG C 26.224 0.060 1 910 90 90 LEU N N 119.081 0.070 1 911 91 91 ALA H H 8.244 0.009 1 912 91 91 ALA HA H 3.645 0.009 1 913 91 91 ALA HB H 1.217 0.010 1 914 91 91 ALA C C 177.047 0.007 1 915 91 91 ALA CA C 52.935 0.090 1 916 91 91 ALA CB C 18.867 0.194 1 917 91 91 ALA N N 116.140 0.052 1 918 92 92 GLY H H 7.750 0.013 1 919 92 92 GLY HA2 H 3.912 0.011 1 920 92 92 GLY HA3 H 3.912 0.011 1 921 92 92 GLY C C 175.342 0.012 1 922 92 92 GLY CA C 45.807 0.058 1 923 92 92 GLY N N 104.884 0.058 1 924 93 93 LEU H H 7.437 0.009 1 925 93 93 LEU HA H 4.170 0.013 1 926 93 93 LEU HB2 H 0.789 0.016 2 927 93 93 LEU HB3 H 1.383 0.016 2 928 93 93 LEU HD1 H 0.765 0.013 2 929 93 93 LEU HD2 H 0.774 0.014 2 930 93 93 LEU HG H 1.813 0.009 1 931 93 93 LEU C C 176.715 0.001 1 932 93 93 LEU CA C 55.147 0.048 1 933 93 93 LEU CB C 41.829 0.208 1 934 93 93 LEU CD1 C 24.719 0.098 2 935 93 93 LEU CD2 C 22.504 0.091 2 936 93 93 LEU CG C 26.252 0.002 1 937 93 93 LEU N N 117.609 0.072 1 938 94 94 ASP H H 8.468 0.032 1 939 94 94 ASP HA H 4.934 0.007 1 940 94 94 ASP HB2 H 2.954 0.003 2 941 94 94 ASP HB3 H 3.201 0.010 2 942 94 94 ASP C C 177.348 0.019 1 943 94 94 ASP CA C 52.732 0.174 1 944 94 94 ASP CB C 42.032 0.076 1 945 94 94 ASP N N 120.181 0.077 1 946 95 95 SER H H 8.698 0.013 1 947 95 95 SER HA H 4.409 0.011 1 948 95 95 SER HB2 H 4.136 0.014 1 949 95 95 SER HB3 H 4.136 0.014 1 950 95 95 SER C C 176.667 0.000 1 951 95 95 SER CA C 62.763 0.196 1 952 95 95 SER N N 114.642 0.097 1 953 96 96 ARG H H 8.415 0.011 1 954 96 96 ARG HA H 4.251 0.015 1 955 96 96 ARG HB2 H 1.733 0.015 2 956 96 96 ARG HB3 H 1.871 0.030 2 957 96 96 ARG HD2 H 3.421 0.000 1 958 96 96 ARG HD3 H 3.421 0.000 1 959 96 96 ARG C C 178.955 0.003 1 960 96 96 ARG CA C 59.211 0.060 1 961 96 96 ARG CB C 29.399 0.191 1 962 96 96 ARG N N 122.184 0.039 1 963 97 97 GLU H H 8.351 0.010 1 964 97 97 GLU HA H 4.242 0.015 1 965 97 97 GLU HG2 H 2.524 0.017 2 966 97 97 GLU HG3 H 2.691 0.013 2 967 97 97 GLU C C 179.252 0.009 1 968 97 97 GLU CA C 59.248 0.091 1 969 97 97 GLU CB C 29.543 0.069 1 970 97 97 GLU N N 118.412 0.067 1 971 98 98 PHE H H 8.643 0.009 1 972 98 98 PHE HA H 4.412 0.012 1 973 98 98 PHE HB2 H 3.187 0.011 2 974 98 98 PHE HB3 H 3.369 0.013 2 975 98 98 PHE HD1 H 7.316 0.012 3 976 98 98 PHE HD2 H 7.316 0.012 3 977 98 98 PHE HE1 H 7.536 0.009 3 978 98 98 PHE HE2 H 7.536 0.009 3 979 98 98 PHE HZ H 7.267 0.016 1 980 98 98 PHE C C 178.466 0.003 1 981 98 98 PHE CA C 61.635 0.163 1 982 98 98 PHE CB C 39.155 0.243 1 983 98 98 PHE CD1 C 131.081 0.036 3 984 98 98 PHE CD2 C 131.081 0.036 3 985 98 98 PHE CE1 C 131.400 0.168 3 986 98 98 PHE CE2 C 131.400 0.168 3 987 98 98 PHE CZ C 129.615 0.078 1 988 98 98 PHE N N 117.465 0.076 1 989 99 99 GLY H H 8.331 0.015 1 990 99 99 GLY HA2 H 3.791 0.018 2 991 99 99 GLY HA3 H 4.106 0.020 2 992 99 99 GLY C C 176.479 0.008 1 993 99 99 GLY CA C 47.662 0.194 1 994 99 99 GLY N N 104.212 0.066 1 995 100 100 ILE H H 7.885 0.012 1 996 100 100 ILE HA H 3.759 0.019 1 997 100 100 ILE HB H 1.993 0.018 1 998 100 100 ILE HD1 H 1.079 0.005 1 999 100 100 ILE HG12 H 1.143 0.016 2 1000 100 100 ILE HG13 H 1.974 0.014 2 1001 100 100 ILE HG2 H 0.717 0.011 1 1002 100 100 ILE C C 177.586 0.019 1 1003 100 100 ILE CA C 65.919 0.314 1 1004 100 100 ILE CB C 37.908 0.302 1 1005 100 100 ILE CD1 C 13.303 0.066 1 1006 100 100 ILE CG1 C 29.077 0.145 1 1007 100 100 ILE CG2 C 16.512 0.083 1 1008 100 100 ILE N N 122.559 0.047 1 1009 101 101 VAL H H 7.794 0.012 1 1010 101 101 VAL HA H 3.798 0.020 1 1011 101 101 VAL HB H 2.057 0.016 1 1012 101 101 VAL HG1 H 1.059 0.017 2 1013 101 101 VAL HG2 H 1.076 0.019 2 1014 101 101 VAL C C 178.066 0.002 1 1015 101 101 VAL CA C 66.126 0.060 1 1016 101 101 VAL CB C 31.370 0.284 1 1017 101 101 VAL CG1 C 21.991 0.087 2 1018 101 101 VAL CG2 C 21.619 0.114 2 1019 101 101 VAL N N 115.624 0.047 1 1020 102 102 ILE H H 8.650 0.008 1 1021 102 102 ILE HA H 4.004 0.015 1 1022 102 102 ILE HB H 2.165 0.012 1 1023 102 102 ILE HD1 H 1.033 0.011 1 1024 102 102 ILE HG12 H 1.615 0.011 2 1025 102 102 ILE HG13 H 1.776 0.015 2 1026 102 102 ILE HG2 H 1.027 0.012 1 1027 102 102 ILE C C 179.802 0.016 1 1028 102 102 ILE CA C 63.810 0.122 1 1029 102 102 ILE CB C 36.182 0.243 1 1030 102 102 ILE CD1 C 12.077 0.048 1 1031 102 102 ILE CG1 C 29.485 0.150 1 1032 102 102 ILE CG2 C 17.614 0.064 1 1033 102 102 ILE N N 119.511 0.072 1 1034 103 103 THR H H 8.117 0.007 1 1035 103 103 THR HA H 3.910 0.014 1 1036 103 103 THR HB H 4.496 0.007 1 1037 103 103 THR HG2 H 1.226 0.007 1 1038 103 103 THR C C 176.187 0.018 1 1039 103 103 THR CA C 69.031 0.152 1 1040 103 103 THR CB C 66.817 0.071 1 1041 103 103 THR CG2 C 21.344 0.062 1 1042 103 103 THR N N 121.751 0.050 1 1043 104 104 LEU H H 8.387 0.015 1 1044 104 104 LEU HA H 4.004 0.016 1 1045 104 104 LEU HB2 H 1.648 0.017 1 1046 104 104 LEU HD1 H 0.975 0.031 2 1047 104 104 LEU HD2 H 1.055 0.024 2 1048 104 104 LEU C C 178.246 0.015 1 1049 104 104 LEU CA C 58.740 0.031 1 1050 104 104 LEU CB C 42.164 0.409 1 1051 104 104 LEU CD1 C 25.390 0.098 2 1052 104 104 LEU CD2 C 22.676 0.045 2 1053 104 104 LEU N N 120.068 0.076 1 1054 105 105 ASN H H 8.220 0.010 1 1055 105 105 ASN HA H 4.278 0.021 1 1056 105 105 ASN HB2 H 2.747 0.015 2 1057 105 105 ASN HB3 H 2.955 0.004 2 1058 105 105 ASN HD21 H 5.918 0.006 1 1059 105 105 ASN HD22 H 7.605 0.006 1 1060 105 105 ASN C C 176.677 0.002 1 1061 105 105 ASN CA C 58.656 0.131 1 1062 105 105 ASN CB C 41.352 0.036 1 1063 105 105 ASN N N 114.582 0.067 1 1064 105 105 ASN ND2 N 106.218 0.091 1 1065 106 106 THR H H 8.259 0.016 1 1066 106 106 THR HA H 4.276 0.018 1 1067 106 106 THR HB H 4.500 0.008 1 1068 106 106 THR HG2 H 1.320 0.015 1 1069 106 106 THR C C 176.272 0.000 1 1070 106 106 THR CA C 66.814 0.165 1 1071 106 106 THR CB C 68.011 0.095 1 1072 106 106 THR CG2 C 20.883 0.081 1 1073 106 106 THR N N 113.896 0.063 1 1074 107 107 VAL H H 8.344 0.020 1 1075 107 107 VAL HA H 3.534 0.011 1 1076 107 107 VAL HB H 2.395 0.022 1 1077 107 107 VAL HG1 H 0.934 0.023 2 1078 107 107 VAL HG2 H 1.153 0.012 2 1079 107 107 VAL C C 176.856 0.001 1 1080 107 107 VAL CA C 67.920 0.110 1 1081 107 107 VAL CB C 30.428 0.285 1 1082 107 107 VAL CG1 C 21.693 0.118 2 1083 107 107 VAL CG2 C 23.124 0.110 2 1084 107 107 VAL N N 120.470 0.106 1 1085 108 108 VAL H H 7.763 0.009 1 1086 108 108 VAL HA H 3.450 0.015 1 1087 108 108 VAL HB H 2.697 0.012 1 1088 108 108 VAL HG1 H 0.741 0.020 2 1089 108 108 VAL HG2 H 1.495 0.015 2 1090 108 108 VAL C C 177.530 0.001 1 1091 108 108 VAL CA C 67.708 0.150 1 1092 108 108 VAL CB C 31.351 0.057 1 1093 108 108 VAL CG1 C 22.436 0.094 2 1094 108 108 VAL CG2 C 22.273 0.108 2 1095 108 108 VAL N N 117.360 0.078 1 1096 109 109 MET H H 7.570 0.017 1 1097 109 109 MET HA H 4.570 0.015 1 1098 109 109 MET HE H 1.461 0.010 1 1099 109 109 MET C C 180.663 0.001 1 1100 109 109 MET CA C 56.124 0.020 1 1101 109 109 MET CB C 31.435 0.032 1 1102 109 109 MET CE C 18.437 0.119 1 1103 109 109 MET N N 111.965 0.055 1 1104 110 110 LEU H H 8.994 0.013 1 1105 110 110 LEU HA H 4.302 0.009 1 1106 110 110 LEU HB2 H 1.561 0.014 2 1107 110 110 LEU HB3 H 1.977 0.023 2 1108 110 110 LEU HD1 H 0.964 0.017 2 1109 110 110 LEU HD2 H 0.989 0.024 2 1110 110 110 LEU HG H 2.028 0.016 1 1111 110 110 LEU C C 178.920 0.066 1 1112 110 110 LEU CA C 57.792 0.164 1 1113 110 110 LEU CB C 42.229 0.245 1 1114 110 110 LEU CD1 C 25.258 0.110 2 1115 110 110 LEU CD2 C 23.442 0.093 2 1116 110 110 LEU CG C 26.790 0.098 1 1117 110 110 LEU N N 118.126 0.068 1 1118 111 111 ALA H H 8.685 0.008 1 1119 111 111 ALA HA H 3.990 0.017 1 1120 111 111 ALA HB H 1.583 0.009 1 1121 111 111 ALA C C 180.517 0.015 1 1122 111 111 ALA CA C 55.852 0.174 1 1123 111 111 ALA CB C 17.250 0.195 1 1124 111 111 ALA N N 120.604 0.050 1 1125 112 112 GLY H H 8.269 0.011 1 1126 112 112 GLY C C 175.014 0.006 1 1127 112 112 GLY CA C 47.595 0.002 1 1128 112 112 GLY N N 102.044 0.124 1 1129 113 113 PHE H H 8.141 0.010 1 1130 113 113 PHE HA H 3.777 0.012 1 1131 113 113 PHE HB2 H 3.346 0.014 1 1132 113 113 PHE HB3 H 3.346 0.014 1 1133 113 113 PHE HD1 H 7.030 0.023 3 1134 113 113 PHE HD2 H 7.030 0.023 3 1135 113 113 PHE HE1 H 7.172 0.015 3 1136 113 113 PHE HE2 H 7.172 0.015 3 1137 113 113 PHE C C 176.463 0.021 1 1138 113 113 PHE CA C 56.997 0.099 1 1139 113 113 PHE CB C 38.410 0.027 1 1140 113 113 PHE CD1 C 130.860 0.144 3 1141 113 113 PHE CD2 C 130.860 0.144 3 1142 113 113 PHE CE1 C 129.608 0.057 3 1143 113 113 PHE CE2 C 129.608 0.057 3 1144 113 113 PHE N N 121.275 0.071 1 1145 114 114 ALA H H 8.885 0.006 1 1146 114 114 ALA HA H 3.613 0.015 1 1147 114 114 ALA HB H 1.422 0.008 1 1148 114 114 ALA C C 179.616 0.012 1 1149 114 114 ALA CA C 55.084 0.118 1 1150 114 114 ALA CB C 18.186 0.218 1 1151 114 114 ALA N N 118.465 0.068 1 1152 115 115 GLY H H 8.691 0.007 1 1153 115 115 GLY HA2 H 3.981 0.022 1 1154 115 115 GLY HA3 H 3.981 0.022 1 1155 115 115 GLY C C 174.387 0.021 1 1156 115 115 GLY CA C 48.025 0.146 1 1157 115 115 GLY N N 100.652 0.056 1 1158 116 116 ALA H H 7.957 0.010 1 1159 116 116 ALA HA H 4.120 0.008 1 1160 116 116 ALA HB H 1.611 0.015 1 1161 116 116 ALA C C 178.652 0.017 1 1162 116 116 ALA CA C 54.551 0.088 1 1163 116 116 ALA CB C 17.624 0.222 1 1164 116 116 ALA N N 120.482 0.085 1 1165 117 117 MET H H 7.307 0.012 1 1166 117 117 MET HA H 4.660 0.010 1 1167 117 117 MET HE H 1.927 0.010 1 1168 117 117 MET C C 175.347 0.063 1 1169 117 117 MET CA C 54.081 0.110 1 1170 117 117 MET CB C 31.230 0.000 1 1171 117 117 MET CE C 15.863 0.064 1 1172 117 117 MET N N 112.087 0.051 1 1173 118 118 VAL H H 7.371 0.014 1 1174 118 118 VAL HA H 4.552 0.011 1 1175 118 118 VAL HB H 2.281 0.019 1 1176 118 118 VAL HG1 H 1.129 0.014 2 1177 118 118 VAL HG2 H 1.132 0.014 2 1178 118 118 VAL C C 175.718 0.000 1 1179 118 118 VAL CA C 59.478 0.059 1 1180 118 118 VAL CB C 33.424 0.285 1 1181 118 118 VAL CG1 C 22.378 0.154 2 1182 118 118 VAL CG2 C 22.005 0.159 2 1183 118 118 VAL N N 119.966 0.067 1 1184 119 119 PRO C C 178.876 0.000 1 1185 119 119 PRO CA C 64.402 0.000 1 1186 119 119 PRO CB C 32.013 0.000 1 1187 120 120 GLY H H 7.972 0.013 1 1188 120 120 GLY HA2 H 4.284 0.026 2 1189 120 120 GLY HA3 H 4.551 0.004 2 1190 120 120 GLY C C 176.710 0.001 1 1191 120 120 GLY CA C 44.576 0.003 1 1192 120 120 GLY N N 104.810 0.089 1 1193 121 121 ILE H H 8.685 0.009 1 1194 121 121 ILE HA H 4.288 0.011 1 1195 121 121 ILE HB H 2.317 0.007 1 1196 121 121 ILE HD1 H 1.213 0.017 1 1197 121 121 ILE HG12 H 1.704 0.006 2 1198 121 121 ILE HG13 H 1.848 0.009 2 1199 121 121 ILE HG2 H 1.291 0.014 1 1200 121 121 ILE C C 176.838 0.002 1 1201 121 121 ILE CA C 63.626 0.111 1 1202 121 121 ILE CB C 38.802 0.220 1 1203 121 121 ILE CD1 C 14.399 0.059 1 1204 121 121 ILE CG1 C 28.087 0.084 1 1205 121 121 ILE CG2 C 18.258 0.074 1 1206 121 121 ILE N N 119.533 0.093 1 1207 122 122 GLU H H 10.463 0.016 1 1208 122 122 GLU HA H 4.239 0.033 1 1209 122 122 GLU HB2 H 2.163 0.016 1 1210 122 122 GLU HB3 H 2.163 0.016 1 1211 122 122 GLU HG2 H 2.460 0.013 2 1212 122 122 GLU HG3 H 2.586 0.009 2 1213 122 122 GLU C C 178.535 0.003 1 1214 122 122 GLU CA C 59.784 0.047 1 1215 122 122 GLU CB C 27.439 0.223 1 1216 122 122 GLU N N 121.853 0.039 1 1217 123 123 ARG H H 8.256 0.013 1 1218 123 123 ARG HA H 4.326 0.020 1 1219 123 123 ARG HD2 H 3.325 0.006 1 1220 123 123 ARG HD3 H 3.325 0.006 1 1221 123 123 ARG C C 178.169 0.007 1 1222 123 123 ARG CA C 58.417 0.065 1 1223 123 123 ARG CB C 28.039 0.038 1 1224 123 123 ARG N N 119.712 0.044 1 1225 124 124 TYR H H 8.222 0.016 1 1226 124 124 TYR HA H 4.175 0.020 1 1227 124 124 TYR HB2 H 3.169 0.016 2 1228 124 124 TYR HB3 H 3.274 0.019 2 1229 124 124 TYR HD1 H 7.406 0.010 3 1230 124 124 TYR HD2 H 7.406 0.010 3 1231 124 124 TYR HE1 H 6.882 0.007 3 1232 124 124 TYR HE2 H 6.882 0.007 3 1233 124 124 TYR C C 178.496 0.000 1 1234 124 124 TYR CA C 61.876 0.021 1 1235 124 124 TYR CB C 37.438 0.220 1 1236 124 124 TYR CD1 C 131.981 0.050 3 1237 124 124 TYR CD2 C 131.981 0.050 3 1238 124 124 TYR CE1 C 117.763 0.126 3 1239 124 124 TYR CE2 C 117.763 0.126 3 1240 124 124 TYR N N 118.427 0.083 1 1241 125 125 ALA H H 7.990 0.013 1 1242 125 125 ALA HA H 4.321 0.021 1 1243 125 125 ALA HB H 1.707 0.012 1 1244 125 125 ALA C C 179.097 0.008 1 1245 125 125 ALA CA C 54.872 0.123 1 1246 125 125 ALA CB C 17.990 0.242 1 1247 125 125 ALA N N 121.565 0.056 1 1248 126 126 LEU H H 7.225 0.011 1 1249 126 126 LEU HA H 4.159 0.006 1 1250 126 126 LEU HB2 H 2.189 0.022 1 1251 126 126 LEU HD1 H 0.993 0.015 2 1252 126 126 LEU HD2 H 0.996 0.015 2 1253 126 126 LEU HG H 2.168 0.017 1 1254 126 126 LEU C C 178.440 0.004 1 1255 126 126 LEU CA C 57.982 0.079 1 1256 126 126 LEU CB C 39.665 0.548 1 1257 126 126 LEU CD1 C 25.358 0.128 2 1258 126 126 LEU CD2 C 23.337 0.099 2 1259 126 126 LEU CG C 27.385 0.147 1 1260 126 126 LEU N N 117.704 0.070 1 1261 127 127 PHE H H 8.064 0.011 1 1262 127 127 PHE HA H 3.537 0.012 1 1263 127 127 PHE HB2 H 2.570 0.012 2 1264 127 127 PHE HB3 H 3.181 0.014 2 1265 127 127 PHE HD1 H 6.467 0.013 3 1266 127 127 PHE HD2 H 6.467 0.013 3 1267 127 127 PHE HE1 H 7.198 0.012 3 1268 127 127 PHE HE2 H 7.198 0.012 3 1269 127 127 PHE C C 176.884 0.005 1 1270 127 127 PHE CA C 61.820 0.131 1 1271 127 127 PHE CB C 38.536 0.244 1 1272 127 127 PHE CD1 C 131.975 0.070 3 1273 127 127 PHE CD2 C 131.975 0.070 3 1274 127 127 PHE CE1 C 129.945 0.011 3 1275 127 127 PHE CE2 C 129.945 0.011 3 1276 127 127 PHE N N 118.131 0.085 1 1277 128 128 GLY H H 8.568 0.008 1 1278 128 128 GLY HA2 H 3.551 0.014 2 1279 128 128 GLY HA3 H 3.715 0.021 2 1280 128 128 GLY C C 174.251 0.034 1 1281 128 128 GLY CA C 46.981 0.024 1 1282 128 128 GLY N N 104.867 0.047 1 1283 129 129 MET H H 8.048 0.013 1 1284 129 129 MET HA H 4.095 0.018 1 1285 129 129 MET HE H 2.072 0.009 1 1286 129 129 MET HG2 H 2.514 0.017 2 1287 129 129 MET HG3 H 2.648 0.011 2 1288 129 129 MET C C 177.839 0.033 1 1289 129 129 MET CA C 59.120 0.109 1 1290 129 129 MET CB C 32.205 0.150 1 1291 129 129 MET CE C 17.268 0.121 1 1292 129 129 MET N N 119.607 0.051 1 1293 130 130 GLY H H 8.081 0.010 1 1294 130 130 GLY C C 174.953 0.006 1 1295 130 130 GLY CA C 47.475 0.036 1 1296 130 130 GLY N N 105.147 0.057 1 1297 131 131 ALA H H 8.727 0.009 1 1298 131 131 ALA HA H 4.013 0.018 1 1299 131 131 ALA HB H 1.207 0.014 1 1300 131 131 ALA C C 178.941 0.016 1 1301 131 131 ALA CA C 55.234 0.176 1 1302 131 131 ALA CB C 17.027 0.233 1 1303 131 131 ALA N N 123.407 0.080 1 1304 132 132 VAL H H 8.081 0.010 1 1305 132 132 VAL HA H 3.715 0.017 1 1306 132 132 VAL HB H 2.303 0.013 1 1307 132 132 VAL HG1 H 1.010 0.011 2 1308 132 132 VAL HG2 H 1.170 0.019 2 1309 132 132 VAL C C 177.647 0.001 1 1310 132 132 VAL CA C 66.967 0.182 1 1311 132 132 VAL CB C 31.151 0.269 1 1312 132 132 VAL CG1 C 21.517 0.078 2 1313 132 132 VAL CG2 C 23.049 0.072 2 1314 132 132 VAL N N 116.164 0.052 1 1315 133 133 ALA H H 7.958 0.010 1 1316 133 133 ALA HA H 4.066 0.017 1 1317 133 133 ALA HB H 1.658 0.016 1 1318 133 133 ALA C C 178.637 0.002 1 1319 133 133 ALA CA C 55.358 0.103 1 1320 133 133 ALA CB C 17.416 0.250 1 1321 133 133 ALA N N 120.360 0.079 1 1322 134 134 PHE H H 8.540 0.015 1 1323 134 134 PHE HA H 4.382 0.014 1 1324 134 134 PHE HB2 H 3.481 0.023 1 1325 134 134 PHE HB3 H 3.481 0.023 1 1326 134 134 PHE HD1 H 7.322 0.015 3 1327 134 134 PHE HD2 H 7.322 0.015 3 1328 134 134 PHE HE1 H 7.485 0.013 3 1329 134 134 PHE HE2 H 7.485 0.013 3 1330 134 134 PHE HZ H 7.390 0.011 1 1331 134 134 PHE C C 176.613 0.031 1 1332 134 134 PHE CA C 60.590 0.110 1 1333 134 134 PHE CB C 39.232 0.242 1 1334 134 134 PHE CE1 C 130.692 0.051 3 1335 134 134 PHE CE2 C 130.692 0.051 3 1336 134 134 PHE CZ C 129.125 0.117 1 1337 134 134 PHE N N 118.479 0.059 1 1338 135 135 ILE H H 8.195 0.014 1 1339 135 135 ILE HA H 3.602 0.013 1 1340 135 135 ILE HB H 2.344 0.015 1 1341 135 135 ILE HD1 H 1.009 0.007 1 1342 135 135 ILE HG12 H 1.479 0.016 2 1343 135 135 ILE HG13 H 2.084 0.020 2 1344 135 135 ILE HG2 H 1.028 0.009 1 1345 135 135 ILE C C 178.166 0.021 1 1346 135 135 ILE CA C 65.074 0.192 1 1347 135 135 ILE CB C 36.313 0.196 1 1348 135 135 ILE CD1 C 12.154 0.116 1 1349 135 135 ILE CG1 C 28.886 0.174 1 1350 135 135 ILE CG2 C 17.632 0.047 1 1351 135 135 ILE N N 119.427 0.060 1 1352 136 136 GLY H H 7.983 0.011 1 1353 136 136 GLY HA2 H 3.687 0.017 2 1354 136 136 GLY HA3 H 3.965 0.022 2 1355 136 136 GLY C C 174.145 0.014 1 1356 136 136 GLY CA C 47.915 0.160 1 1357 136 136 GLY N N 105.014 0.091 1 1358 137 137 LEU H H 8.509 0.012 1 1359 137 137 LEU HA H 4.255 0.015 1 1360 137 137 LEU HB2 H 1.564 0.008 2 1361 137 137 LEU HB3 H 2.407 0.012 2 1362 137 137 LEU HD1 H 1.206 0.018 2 1363 137 137 LEU HD2 H 1.265 0.020 2 1364 137 137 LEU HG H 1.631 0.013 1 1365 137 137 LEU C C 178.226 0.044 1 1366 137 137 LEU CA C 58.704 0.133 1 1367 137 137 LEU CB C 42.329 0.259 1 1368 137 137 LEU CD1 C 24.387 0.087 2 1369 137 137 LEU CD2 C 26.462 0.189 2 1370 137 137 LEU CG C 26.405 0.104 1 1371 137 137 LEU N N 123.866 0.083 1 1372 138 138 VAL H H 8.732 0.010 1 1373 138 138 VAL HA H 3.392 0.021 1 1374 138 138 VAL HB H 2.080 0.017 1 1375 138 138 VAL HG1 H 0.475 0.013 2 1376 138 138 VAL HG2 H 0.927 0.024 2 1377 138 138 VAL C C 177.869 0.001 1 1378 138 138 VAL CA C 67.352 0.073 1 1379 138 138 VAL CB C 31.103 0.254 1 1380 138 138 VAL CG1 C 23.171 0.124 2 1381 138 138 VAL CG2 C 22.131 0.152 2 1382 138 138 VAL N N 118.315 0.091 1 1383 139 139 TYR H H 8.586 0.015 1 1384 139 139 TYR HA H 4.109 0.013 1 1385 139 139 TYR HB2 H 3.121 0.019 2 1386 139 139 TYR HB3 H 3.613 0.016 2 1387 139 139 TYR HD1 H 6.979 0.010 3 1388 139 139 TYR HD2 H 6.979 0.010 3 1389 139 139 TYR HE1 H 6.685 0.006 3 1390 139 139 TYR HE2 H 6.685 0.006 3 1391 139 139 TYR C C 177.362 0.024 1 1392 139 139 TYR CA C 61.798 0.105 1 1393 139 139 TYR CB C 37.071 0.107 1 1394 139 139 TYR CD1 C 132.919 0.029 3 1395 139 139 TYR CD2 C 132.919 0.029 3 1396 139 139 TYR CE1 C 117.371 0.029 3 1397 139 139 TYR CE2 C 117.371 0.029 3 1398 139 139 TYR N N 118.745 0.062 1 1399 140 140 TYR H H 8.321 0.016 1 1400 140 140 TYR HA H 3.644 0.022 1 1401 140 140 TYR HB2 H 2.967 0.006 2 1402 140 140 TYR HB3 H 3.333 0.023 2 1403 140 140 TYR HD1 H 7.166 0.006 3 1404 140 140 TYR HD2 H 7.166 0.006 3 1405 140 140 TYR HE1 H 6.885 0.006 3 1406 140 140 TYR HE2 H 6.885 0.006 3 1407 140 140 TYR C C 178.439 0.032 1 1408 140 140 TYR CA C 64.243 0.080 1 1409 140 140 TYR CB C 38.856 0.196 1 1410 140 140 TYR CD1 C 131.986 0.027 3 1411 140 140 TYR CD2 C 131.986 0.027 3 1412 140 140 TYR CE1 C 117.964 0.185 3 1413 140 140 TYR CE2 C 117.964 0.185 3 1414 140 140 TYR N N 119.781 0.059 1 1415 141 141 LEU H H 8.459 0.013 1 1416 141 141 LEU HA H 4.544 0.006 1 1417 141 141 LEU HB2 H 1.213 0.013 2 1418 141 141 LEU HB3 H 2.102 0.026 2 1419 141 141 LEU HD1 H 0.674 0.009 2 1420 141 141 LEU HD2 H 1.025 0.026 2 1421 141 141 LEU HG H 2.076 0.019 1 1422 141 141 LEU C C 181.562 0.011 1 1423 141 141 LEU CA C 58.112 0.068 1 1424 141 141 LEU CB C 42.907 0.343 1 1425 141 141 LEU CD1 C 25.295 0.140 2 1426 141 141 LEU CD2 C 24.174 0.171 2 1427 141 141 LEU CG C 27.408 0.140 1 1428 141 141 LEU N N 116.425 0.066 1 1429 142 142 VAL H H 8.654 0.010 1 1430 142 142 VAL HA H 4.276 0.018 1 1431 142 142 VAL HB H 2.380 0.021 1 1432 142 142 VAL HG1 H 1.039 0.016 2 1433 142 142 VAL HG2 H 1.065 0.021 2 1434 142 142 VAL C C 174.358 0.033 1 1435 142 142 VAL CA C 63.638 0.152 1 1436 142 142 VAL CB C 31.922 0.395 1 1437 142 142 VAL CG1 C 21.463 0.065 2 1438 142 142 VAL CG2 C 21.016 0.146 2 1439 142 142 VAL N N 114.953 0.066 1 1440 143 143 GLY H H 8.291 0.012 1 1441 143 143 GLY HA2 H 3.370 0.011 2 1442 143 143 GLY HA3 H 3.595 0.017 2 1443 143 143 GLY C C 177.498 0.000 1 1444 143 143 GLY CA C 43.275 0.000 1 1445 143 143 GLY N N 110.755 0.082 1 1446 144 144 PRO C C 179.018 0.000 1 1447 144 144 PRO CA C 65.368 0.000 1 1448 144 144 PRO CB C 32.119 0.000 1 1449 145 145 MET H H 8.802 0.006 1 1450 145 145 MET HA H 3.908 0.025 1 1451 145 145 MET HE H 2.142 0.013 1 1452 145 145 MET HG2 H 2.518 0.018 1 1453 145 145 MET HG3 H 2.518 0.018 1 1454 145 145 MET C C 178.649 0.006 1 1455 145 145 MET CA C 60.555 0.258 1 1456 145 145 MET CB C 32.322 0.000 1 1457 145 145 MET CE C 15.758 0.083 1 1458 145 145 MET N N 113.737 0.055 1 1459 146 146 THR H H 7.111 0.012 1 1460 146 146 THR HA H 4.077 0.011 1 1461 146 146 THR HB H 4.454 0.020 1 1462 146 146 THR HG2 H 1.355 0.006 1 1463 146 146 THR C C 176.710 0.002 1 1464 146 146 THR CA C 67.122 0.118 1 1465 146 146 THR CB C 69.042 0.059 1 1466 146 146 THR CG2 C 20.789 0.054 1 1467 146 146 THR N N 114.371 0.067 1 1468 147 147 GLU H H 8.223 0.011 1 1469 147 147 GLU HA H 4.264 0.003 1 1470 147 147 GLU HB2 H 2.158 0.013 1 1471 147 147 GLU HB3 H 2.158 0.013 1 1472 147 147 GLU HG2 H 2.338 0.003 1 1473 147 147 GLU HG3 H 2.338 0.003 1 1474 147 147 GLU C C 180.027 0.004 1 1475 147 147 GLU CA C 59.469 0.116 1 1476 147 147 GLU CB C 28.457 0.243 1 1477 147 147 GLU N N 123.672 0.101 1 1478 148 148 SER H H 8.082 0.011 1 1479 148 148 SER HA H 4.262 0.001 1 1480 148 148 SER C C 178.067 0.002 1 1481 148 148 SER CA C 62.269 0.071 1 1482 148 148 SER CB C 78.834 0.000 1 1483 148 148 SER N N 114.633 0.076 1 1484 149 149 ALA H H 7.975 0.014 1 1485 149 149 ALA HA H 3.996 0.011 1 1486 149 149 ALA HB H 1.094 0.010 1 1487 149 149 ALA C C 179.170 0.004 1 1488 149 149 ALA CA C 55.001 0.131 1 1489 149 149 ALA CB C 18.117 0.199 1 1490 149 149 ALA N N 122.692 0.070 1 1491 150 150 SER H H 7.907 0.022 1 1492 150 150 SER HA H 4.262 0.002 1 1493 150 150 SER C C 174.760 0.000 1 1494 150 150 SER CA C 60.973 0.103 1 1495 150 150 SER CB C 62.726 0.023 1 1496 150 150 SER N N 109.484 0.058 1 1497 151 151 GLN H H 7.564 0.012 1 1498 151 151 GLN HA H 4.559 0.007 1 1499 151 151 GLN HE21 H 6.865 0.002 1 1500 151 151 GLN HE22 H 7.422 0.001 1 1501 151 151 GLN HG2 H 2.562 0.018 2 1502 151 151 GLN HG3 H 2.624 0.016 2 1503 151 151 GLN C C 176.779 0.016 1 1504 151 151 GLN CA C 55.381 0.047 1 1505 151 151 GLN CB C 28.354 0.006 1 1506 151 151 GLN N N 117.507 0.073 1 1507 151 151 GLN NE2 N 111.407 0.015 1 1508 152 152 ARG H H 7.568 0.010 1 1509 152 152 ARG HA H 4.636 0.005 1 1510 152 152 ARG HD2 H 3.228 0.004 2 1511 152 152 ARG HD3 H 3.345 0.000 2 1512 152 152 ARG C C 175.301 0.020 1 1513 152 152 ARG CA C 55.018 0.047 1 1514 152 152 ARG CB C 30.027 0.042 1 1515 152 152 ARG N N 118.060 0.126 1 1516 153 153 SER H H 8.006 0.007 1 1517 153 153 SER C C 175.281 0.000 1 1518 153 153 SER CA C 58.313 0.000 1 1519 153 153 SER CB C 63.843 0.000 1 1520 153 153 SER N N 112.484 0.026 1 1521 154 154 SER H H 8.950 0.004 1 1522 154 154 SER N N 116.430 0.000 1 1523 155 155 GLY H H 9.059 0.016 1 1524 155 155 GLY C C 176.343 0.000 1 1525 155 155 GLY CA C 46.897 0.000 1 1526 155 155 GLY N N 109.777 0.073 1 1527 156 156 ILE H H 7.588 0.011 1 1528 156 156 ILE HA H 3.871 0.020 1 1529 156 156 ILE HB H 2.168 0.019 1 1530 156 156 ILE HD1 H 0.964 0.016 1 1531 156 156 ILE HG12 H 1.266 0.007 2 1532 156 156 ILE HG13 H 1.721 0.015 2 1533 156 156 ILE HG2 H 1.089 0.007 1 1534 156 156 ILE C C 177.620 0.028 1 1535 156 156 ILE CA C 63.723 0.101 1 1536 156 156 ILE CB C 36.324 0.295 1 1537 156 156 ILE CD1 C 11.764 0.171 1 1538 156 156 ILE CG1 C 28.981 0.084 1 1539 156 156 ILE CG2 C 18.259 0.081 1 1540 156 156 ILE N N 122.951 0.088 1 1541 157 157 LYS H H 8.618 0.008 1 1542 157 157 LYS C C 178.474 0.006 1 1543 157 157 LYS CA C 60.406 0.046 1 1544 157 157 LYS CB C 30.956 0.037 1 1545 157 157 LYS N N 120.543 0.057 1 1546 158 158 SER H H 8.312 0.006 1 1547 158 158 SER HA H 4.281 0.022 1 1548 158 158 SER HB2 H 4.112 0.020 2 1549 158 158 SER HB3 H 4.146 0.027 2 1550 158 158 SER C C 177.076 0.000 1 1551 158 158 SER CA C 61.603 0.105 1 1552 158 158 SER CB C 62.837 0.128 1 1553 158 158 SER N N 111.567 0.041 1 1554 159 159 LEU H H 7.720 0.010 1 1555 159 159 LEU HA H 4.259 0.015 1 1556 159 159 LEU HB2 H 1.688 0.016 2 1557 159 159 LEU HB3 H 2.103 0.022 2 1558 159 159 LEU HD1 H 1.001 0.020 1 1559 159 159 LEU HG H 1.665 0.022 1 1560 159 159 LEU C C 177.709 0.003 1 1561 159 159 LEU CA C 57.913 0.163 1 1562 159 159 LEU CB C 40.869 0.327 1 1563 159 159 LEU CD1 C 23.368 0.072 1 1564 159 159 LEU CG C 26.234 0.011 1 1565 159 159 LEU N N 122.468 0.057 1 1566 160 160 TYR H H 9.083 0.009 1 1567 160 160 TYR HA H 3.875 0.013 1 1568 160 160 TYR HB2 H 3.031 0.012 2 1569 160 160 TYR HB3 H 3.270 0.018 2 1570 160 160 TYR HD1 H 7.051 0.029 3 1571 160 160 TYR HD2 H 7.051 0.029 3 1572 160 160 TYR C C 176.607 0.011 1 1573 160 160 TYR CA C 63.215 0.151 1 1574 160 160 TYR CB C 37.528 0.236 1 1575 160 160 TYR N N 117.815 0.057 1 1576 161 161 VAL H H 8.631 0.013 1 1577 161 161 VAL HA H 3.221 0.019 1 1578 161 161 VAL HB H 2.289 0.008 1 1579 161 161 VAL HG1 H 1.077 0.019 2 1580 161 161 VAL HG2 H 1.297 0.009 2 1581 161 161 VAL C C 177.486 0.000 1 1582 161 161 VAL CA C 67.817 0.142 1 1583 161 161 VAL CB C 31.493 0.358 1 1584 161 161 VAL CG1 C 21.501 0.056 2 1585 161 161 VAL CG2 C 23.422 0.109 2 1586 161 161 VAL N N 117.215 0.070 1 1587 162 162 ARG H H 7.735 0.009 1 1588 162 162 ARG HA H 4.144 0.010 1 1589 162 162 ARG HB2 H 1.998 0.026 2 1590 162 162 ARG HB3 H 2.067 0.021 2 1591 162 162 ARG C C 179.292 0.028 1 1592 162 162 ARG CA C 59.921 0.022 1 1593 162 162 ARG CB C 30.543 0.195 1 1594 162 162 ARG N N 118.221 0.063 1 1595 163 163 LEU H H 8.192 0.007 1 1596 163 163 LEU HA H 4.120 0.018 1 1597 163 163 LEU HB2 H 1.317 0.011 2 1598 163 163 LEU HB3 H 1.680 0.024 2 1599 163 163 LEU HD1 H 0.276 0.010 2 1600 163 163 LEU HD2 H 0.522 0.010 2 1601 163 163 LEU HG H 1.687 0.011 1 1602 163 163 LEU C C 180.386 0.004 1 1603 163 163 LEU CA C 56.998 0.027 1 1604 163 163 LEU CB C 41.238 0.219 1 1605 163 163 LEU CD1 C 21.817 0.099 2 1606 163 163 LEU CD2 C 25.815 0.165 2 1607 163 163 LEU CG C 26.619 0.001 1 1608 163 163 LEU N N 116.923 0.055 1 1609 164 164 ARG H H 9.575 0.013 1 1610 164 164 ARG HD2 H 3.218 0.012 2 1611 164 164 ARG HD3 H 3.572 0.006 2 1612 164 164 ARG C C 177.319 0.017 1 1613 164 164 ARG CA C 59.116 0.028 1 1614 164 164 ARG CB C 29.323 0.016 1 1615 164 164 ARG N N 123.908 0.066 1 1616 165 165 ASN H H 8.689 0.011 1 1617 165 165 ASN HA H 4.401 0.015 1 1618 165 165 ASN HB2 H 2.737 0.011 2 1619 165 165 ASN HB3 H 3.213 0.012 2 1620 165 165 ASN HD21 H 7.189 0.011 1 1621 165 165 ASN HD22 H 7.624 0.003 1 1622 165 165 ASN C C 176.388 0.015 1 1623 165 165 ASN CA C 55.765 0.121 1 1624 165 165 ASN CB C 36.646 0.235 1 1625 165 165 ASN N N 118.654 0.085 1 1626 165 165 ASN ND2 N 108.776 0.082 1 1627 166 166 LEU H H 7.548 0.019 1 1628 166 166 LEU HA H 4.047 0.025 1 1629 166 166 LEU HD1 H 1.046 0.026 2 1630 166 166 LEU HD2 H 1.199 0.015 2 1631 166 166 LEU HG H 1.886 0.022 1 1632 166 166 LEU C C 177.032 0.059 1 1633 166 166 LEU CA C 58.947 0.103 1 1634 166 166 LEU CB C 42.478 0.016 1 1635 166 166 LEU CD1 C 25.762 0.144 2 1636 166 166 LEU CD2 C 26.106 0.088 2 1637 166 166 LEU N N 118.021 0.115 1 1638 167 167 THR H H 7.859 0.016 1 1639 167 167 THR HA H 3.796 0.012 1 1640 167 167 THR HB H 4.126 0.013 1 1641 167 167 THR HG2 H -0.153 0.010 1 1642 167 167 THR C C 174.624 0.000 1 1643 167 167 THR CA C 66.913 0.198 1 1644 167 167 THR CB C 68.667 0.139 1 1645 167 167 THR CG2 C 16.894 0.142 1 1646 167 167 THR N N 113.532 0.107 1 1647 168 168 VAL H H 8.814 0.009 1 1648 168 168 VAL HA H 3.440 0.015 1 1649 168 168 VAL HB H 2.126 0.010 1 1650 168 168 VAL HG1 H 1.015 0.018 2 1651 168 168 VAL HG2 H 1.058 0.017 2 1652 168 168 VAL C C 176.300 0.000 1 1653 168 168 VAL CA C 67.998 0.178 1 1654 168 168 VAL CB C 31.490 0.388 1 1655 168 168 VAL CG1 C 22.261 0.085 2 1656 168 168 VAL CG2 C 23.500 0.215 2 1657 168 168 VAL N N 116.266 0.045 1 1658 169 169 VAL H H 7.498 0.012 1 1659 169 169 VAL HA H 3.801 0.010 1 1660 169 169 VAL HB H 2.235 0.013 1 1661 169 169 VAL HG1 H 1.080 0.011 2 1662 169 169 VAL HG2 H 1.219 0.011 2 1663 169 169 VAL C C 175.900 0.000 1 1664 169 169 VAL CA C 66.701 0.135 1 1665 169 169 VAL CB C 31.344 0.245 1 1666 169 169 VAL CG1 C 21.535 0.070 2 1667 169 169 VAL CG2 C 23.478 0.097 2 1668 169 169 VAL N N 111.904 0.046 1 1669 170 170 LEU H H 7.923 0.010 1 1670 170 170 LEU HA H 4.523 0.014 1 1671 170 170 LEU HB2 H 2.481 0.021 1 1672 170 170 LEU HD1 H 1.069 0.014 2 1673 170 170 LEU HD2 H 1.165 0.019 2 1674 170 170 LEU HG H 2.232 0.011 1 1675 170 170 LEU C C 181.420 0.014 1 1676 170 170 LEU CA C 56.806 0.179 1 1677 170 170 LEU CB C 40.561 0.312 1 1678 170 170 LEU CD1 C 22.803 0.092 2 1679 170 170 LEU CD2 C 26.770 0.071 2 1680 170 170 LEU CG C 28.197 0.175 1 1681 170 170 LEU N N 113.138 0.082 1 1682 171 171 TRP H H 9.872 0.010 1 1683 171 171 TRP HD1 H 7.521 0.011 1 1684 171 171 TRP HE1 H 10.205 0.009 1 1685 171 171 TRP HE3 H 7.485 0.017 1 1686 171 171 TRP HH2 H 7.490 0.019 1 1687 171 171 TRP HZ2 H 7.324 0.008 1 1688 171 171 TRP C C 178.214 0.006 1 1689 171 171 TRP CA C 61.057 0.043 1 1690 171 171 TRP CB C 27.521 0.017 1 1691 171 171 TRP CD1 C 125.172 0.144 1 1692 171 171 TRP CE3 C 119.540 0.116 1 1693 171 171 TRP CH2 C 125.084 0.091 1 1694 171 171 TRP N N 118.564 0.071 1 1695 171 171 TRP NE1 N 127.495 0.046 1 1696 172 172 ALA H H 7.744 0.011 1 1697 172 172 ALA HA H 4.208 0.007 1 1698 172 172 ALA HB H 1.951 0.010 1 1699 172 172 ALA C C 176.810 0.022 1 1700 172 172 ALA CA C 54.267 0.138 1 1701 172 172 ALA CB C 18.142 0.183 1 1702 172 172 ALA N N 115.525 0.064 1 1703 173 173 ILE H H 7.853 0.010 1 1704 173 173 ILE HA H 4.159 0.015 1 1705 173 173 ILE HB H 2.287 0.016 1 1706 173 173 ILE HD1 H 1.000 0.015 1 1707 173 173 ILE HG12 H 1.376 0.018 2 1708 173 173 ILE HG13 H 2.286 0.014 2 1709 173 173 ILE HG2 H 1.001 0.012 1 1710 173 173 ILE C C 179.572 0.000 1 1711 173 173 ILE CA C 63.684 0.118 1 1712 173 173 ILE CB C 36.907 0.049 1 1713 173 173 ILE CD1 C 12.518 0.106 1 1714 173 173 ILE CG1 C 28.501 0.130 1 1715 173 173 ILE CG2 C 18.197 0.114 1 1716 173 173 ILE N N 113.198 0.108 1 1717 174 174 TYR H H 7.550 0.016 1 1718 174 174 TYR HA H 4.001 0.010 1 1719 174 174 TYR HD1 H 7.112 0.012 3 1720 174 174 TYR HD2 H 7.112 0.012 3 1721 174 174 TYR HH H 9.978 0.011 1 1722 174 174 TYR C C 177.332 0.000 1 1723 174 174 TYR CA C 64.899 0.097 1 1724 174 174 TYR CD1 C 129.797 0.000 3 1725 174 174 TYR CD2 C 129.797 0.000 3 1726 174 174 TYR N N 118.115 0.145 1 1727 175 175 PRO C C 178.120 0.000 1 1728 175 175 PRO CA C 65.337 0.000 1 1729 175 175 PRO CB C 29.323 0.000 1 1730 176 176 PHE H H 7.552 0.014 1 1731 176 176 PHE HA H 4.402 0.015 1 1732 176 176 PHE HB2 H 3.122 0.018 2 1733 176 176 PHE HB3 H 3.507 0.018 2 1734 176 176 PHE HD1 H 7.627 0.013 3 1735 176 176 PHE HD2 H 7.627 0.013 3 1736 176 176 PHE HE1 H 7.440 0.014 3 1737 176 176 PHE HE2 H 7.440 0.014 3 1738 176 176 PHE HZ H 7.279 0.001 1 1739 176 176 PHE C C 177.366 0.052 1 1740 176 176 PHE CA C 62.491 0.117 1 1741 176 176 PHE CB C 38.658 0.165 1 1742 176 176 PHE CD1 C 131.456 0.061 3 1743 176 176 PHE CD2 C 131.456 0.061 3 1744 176 176 PHE CE1 C 130.952 0.108 3 1745 176 176 PHE CE2 C 130.952 0.108 3 1746 176 176 PHE CZ C 128.758 0.004 1 1747 176 176 PHE N N 115.155 0.075 1 1748 177 177 ILE H H 7.892 0.012 1 1749 177 177 ILE HA H 3.830 0.010 1 1750 177 177 ILE HB H 2.224 0.017 1 1751 177 177 ILE HD1 H 0.765 0.014 1 1752 177 177 ILE HG12 H 1.378 0.015 2 1753 177 177 ILE HG13 H 1.610 0.016 2 1754 177 177 ILE HG2 H 1.201 0.009 1 1755 177 177 ILE C C 178.760 0.000 1 1756 177 177 ILE CA C 63.893 0.074 1 1757 177 177 ILE CB C 36.675 0.232 1 1758 177 177 ILE CD1 C 12.684 0.081 1 1759 177 177 ILE CG1 C 28.479 0.140 1 1760 177 177 ILE CG2 C 18.143 0.128 1 1761 177 177 ILE N N 119.247 0.080 1 1762 178 178 TRP H H 8.198 0.010 1 1763 178 178 TRP HB2 H 3.519 0.008 1 1764 178 178 TRP HB3 H 3.519 0.008 1 1765 178 178 TRP HD1 H 7.639 0.015 1 1766 178 178 TRP HE1 H 9.558 0.005 1 1767 178 178 TRP HE3 H 6.873 0.012 1 1768 178 178 TRP HH2 H 6.608 0.016 1 1769 178 178 TRP HZ2 H 7.256 0.017 1 1770 178 178 TRP HZ3 H 6.499 0.021 1 1771 178 178 TRP C C 176.759 0.049 1 1772 178 178 TRP CA C 62.225 0.031 1 1773 178 178 TRP CB C 31.335 0.296 1 1774 178 178 TRP CD1 C 127.591 0.050 1 1775 178 178 TRP CE3 C 122.815 0.082 1 1776 178 178 TRP CH2 C 123.889 0.094 1 1777 178 178 TRP CZ2 C 112.349 0.088 1 1778 178 178 TRP CZ3 C 120.358 0.134 1 1779 178 178 TRP N N 122.416 0.042 1 1780 178 178 TRP NE1 N 124.891 0.073 1 1781 179 179 LEU H H 8.144 0.019 1 1782 179 179 LEU HA H 4.198 0.015 1 1783 179 179 LEU HB2 H 1.791 0.013 2 1784 179 179 LEU HB3 H 1.955 0.005 2 1785 179 179 LEU HD1 H 0.877 0.012 2 1786 179 179 LEU HD2 H 0.800 0.016 2 1787 179 179 LEU HG H 1.820 0.016 1 1788 179 179 LEU C C 178.257 0.004 1 1789 179 179 LEU CA C 57.969 0.067 1 1790 179 179 LEU CB C 43.020 0.267 1 1791 179 179 LEU CD1 C 24.289 0.120 2 1792 179 179 LEU CD2 C 23.744 0.123 2 1793 179 179 LEU CG C 26.480 0.012 1 1794 179 179 LEU N N 112.947 0.044 1 1795 180 180 LEU H H 8.400 0.010 1 1796 180 180 LEU HA H 4.617 0.023 1 1797 180 180 LEU HB2 H 1.827 0.014 2 1798 180 180 LEU HB3 H 2.101 0.022 2 1799 180 180 LEU HD1 H 1.020 0.017 2 1800 180 180 LEU HD2 H 1.029 0.021 2 1801 180 180 LEU HG H 2.183 0.017 1 1802 180 180 LEU C C 177.779 0.022 1 1803 180 180 LEU CA C 55.617 0.213 1 1804 180 180 LEU CB C 41.882 0.077 1 1805 180 180 LEU CD1 C 25.410 0.052 2 1806 180 180 LEU CD2 C 23.012 0.052 2 1807 180 180 LEU CG C 27.190 0.166 1 1808 180 180 LEU N N 112.811 0.050 1 1809 181 181 GLY H H 8.071 0.011 1 1810 181 181 GLY HA2 H 4.215 0.030 1 1811 181 181 GLY HA3 H 4.215 0.030 1 1812 181 181 GLY C C 177.752 0.000 1 1813 181 181 GLY CA C 43.907 0.000 1 1814 181 181 GLY N N 109.770 0.045 1 1815 183 183 PRO C C 174.454 0.000 1 1816 183 183 PRO CA C 64.961 0.000 1 1817 183 183 PRO CB C 28.771 0.000 1 1818 184 184 GLY H H 7.181 0.008 1 1819 184 184 GLY HA2 H 4.121 0.015 2 1820 184 184 GLY HA3 H 4.292 0.013 2 1821 184 184 GLY C C 175.964 0.000 1 1822 184 184 GLY CA C 44.115 0.033 1 1823 184 184 GLY N N 105.122 0.058 1 1824 185 185 VAL H H 9.129 0.010 1 1825 185 185 VAL HA H 4.300 0.007 1 1826 185 185 VAL HB H 2.564 0.013 1 1827 185 185 VAL HG1 H 1.242 0.021 2 1828 185 185 VAL HG2 H 1.290 0.014 2 1829 185 185 VAL C C 175.961 0.002 1 1830 185 185 VAL CA C 61.980 0.138 1 1831 185 185 VAL CB C 31.764 0.269 1 1832 185 185 VAL CG1 C 21.926 0.052 2 1833 185 185 VAL CG2 C 20.263 0.093 2 1834 185 185 VAL N N 119.708 0.094 1 1835 186 186 ALA H H 8.036 0.010 1 1836 186 186 ALA HA H 3.455 0.014 1 1837 186 186 ALA HB H 1.502 0.005 1 1838 186 186 ALA C C 176.494 0.000 1 1839 186 186 ALA CA C 53.428 0.129 1 1840 186 186 ALA CB C 16.359 0.208 1 1841 186 186 ALA N N 119.594 0.100 1 1842 187 187 LEU H H 8.031 0.014 1 1843 187 187 LEU HA H 4.470 0.010 1 1844 187 187 LEU HB2 H 1.797 0.018 2 1845 187 187 LEU HB3 H 1.821 0.020 2 1846 187 187 LEU HD1 H 1.081 0.021 2 1847 187 187 LEU HD2 H 1.096 0.019 2 1848 187 187 LEU HG H 1.807 0.019 1 1849 187 187 LEU C C 178.294 0.029 1 1850 187 187 LEU CA C 56.793 0.054 1 1851 187 187 LEU CB C 43.254 0.303 1 1852 187 187 LEU CD1 C 24.587 0.153 2 1853 187 187 LEU CD2 C 25.066 0.066 2 1854 187 187 LEU CG C 27.221 0.197 1 1855 187 187 LEU N N 118.285 0.083 1 1856 188 188 LEU H H 8.029 0.013 1 1857 188 188 LEU HA H 4.791 0.012 1 1858 188 188 LEU HD1 H 0.962 0.020 2 1859 188 188 LEU HD2 H 1.015 0.024 2 1860 188 188 LEU HG H 2.085 0.019 1 1861 188 188 LEU C C 177.408 0.024 1 1862 188 188 LEU CA C 53.055 0.118 1 1863 188 188 LEU CD1 C 22.363 0.088 2 1864 188 188 LEU CD2 C 25.906 0.127 2 1865 188 188 LEU CG C 26.002 0.002 1 1866 188 188 LEU N N 114.861 0.076 1 1867 189 189 THR H H 7.809 0.013 1 1868 189 189 THR HA H 4.704 0.003 1 1869 189 189 THR HB H 4.914 0.008 1 1870 189 189 THR HG2 H 1.618 0.013 1 1871 189 189 THR C C 173.704 0.000 1 1872 189 189 THR CA C 59.995 0.035 1 1873 189 189 THR CB C 68.073 0.135 1 1874 189 189 THR CG2 C 22.676 0.156 1 1875 189 189 THR N N 112.462 0.084 1 1876 190 190 PRO C C 177.746 0.000 1 1877 190 190 PRO CA C 65.874 0.000 1 1878 190 190 PRO CB C 31.339 0.000 1 1879 191 191 THR H H 7.794 0.018 1 1880 191 191 THR HA H 3.784 0.013 1 1881 191 191 THR HB H 4.085 0.012 1 1882 191 191 THR HG2 H 1.272 0.012 1 1883 191 191 THR C C 175.270 0.000 1 1884 191 191 THR CA C 66.517 0.086 1 1885 191 191 THR CB C 68.426 0.126 1 1886 191 191 THR CG2 C 22.382 0.266 1 1887 191 191 THR N N 108.285 0.065 1 1888 192 192 VAL H H 7.259 0.012 1 1889 192 192 VAL HA H 3.605 0.009 1 1890 192 192 VAL HB H 2.256 0.011 1 1891 192 192 VAL HG1 H 1.143 0.014 2 1892 192 192 VAL HG2 H 1.154 0.010 2 1893 192 192 VAL C C 176.766 0.007 1 1894 192 192 VAL CA C 67.143 0.225 1 1895 192 192 VAL CB C 30.966 0.184 1 1896 192 192 VAL CG1 C 22.712 0.070 2 1897 192 192 VAL CG2 C 24.026 0.075 2 1898 192 192 VAL N N 120.779 0.051 1 1899 193 193 ASP H H 8.220 0.014 1 1900 193 193 ASP C C 176.624 0.004 1 1901 193 193 ASP CA C 58.246 0.015 1 1902 193 193 ASP CB C 42.824 0.005 1 1903 193 193 ASP N N 119.064 0.086 1 1904 194 194 VAL H H 8.153 0.018 1 1905 194 194 VAL HA H 3.326 0.011 1 1906 194 194 VAL HB H 1.887 0.014 1 1907 194 194 VAL HG1 H 0.430 0.014 2 1908 194 194 VAL HG2 H 0.807 0.015 2 1909 194 194 VAL C C 178.415 0.004 1 1910 194 194 VAL CA C 67.100 0.193 1 1911 194 194 VAL CB C 31.027 0.244 1 1912 194 194 VAL CG1 C 22.059 0.108 2 1913 194 194 VAL CG2 C 25.203 0.095 2 1914 194 194 VAL N N 114.395 0.078 1 1915 195 195 ALA H H 8.354 0.011 1 1916 195 195 ALA HA H 3.980 0.008 1 1917 195 195 ALA HB H 1.543 0.008 1 1918 195 195 ALA C C 178.446 0.000 1 1919 195 195 ALA CA C 55.635 0.120 1 1920 195 195 ALA CB C 18.634 0.271 1 1921 195 195 ALA N N 120.366 0.062 1 1922 196 196 LEU H H 8.520 0.012 1 1923 196 196 LEU HA H 4.091 0.013 1 1924 196 196 LEU HB2 H 1.389 0.016 2 1925 196 196 LEU HB3 H 2.111 0.011 2 1926 196 196 LEU HD1 H 0.874 0.017 2 1927 196 196 LEU HD2 H 0.928 0.020 2 1928 196 196 LEU HG H 2.080 0.021 1 1929 196 196 LEU C C 178.725 0.032 1 1930 196 196 LEU CA C 57.801 0.130 1 1931 196 196 LEU CB C 41.876 0.170 1 1932 196 196 LEU CD1 C 22.851 0.139 2 1933 196 196 LEU CD2 C 26.555 0.112 2 1934 196 196 LEU CG C 26.739 0.110 1 1935 196 196 LEU N N 113.852 0.044 1 1936 197 197 ILE H H 8.062 0.013 1 1937 197 197 ILE HA H 3.872 0.017 1 1938 197 197 ILE HB H 2.337 0.021 1 1939 197 197 ILE HD1 H 1.087 0.013 1 1940 197 197 ILE HG12 H 1.596 0.023 2 1941 197 197 ILE HG13 H 1.782 0.012 2 1942 197 197 ILE C C 177.569 0.031 1 1943 197 197 ILE CA C 63.692 0.089 1 1944 197 197 ILE CB C 36.103 0.214 1 1945 197 197 ILE CD1 C 11.943 0.086 1 1946 197 197 ILE CG1 C 29.829 0.220 1 1947 197 197 ILE N N 117.429 0.062 1 1948 198 198 VAL H H 8.748 0.008 1 1949 198 198 VAL HA H 4.178 0.014 1 1950 198 198 VAL HB H 2.334 0.010 1 1951 198 198 VAL HG1 H 0.903 0.013 2 1952 198 198 VAL HG2 H 1.141 0.016 2 1953 198 198 VAL C C 177.593 0.004 1 1954 198 198 VAL CA C 66.978 0.123 1 1955 198 198 VAL CB C 30.875 0.399 1 1956 198 198 VAL CG1 C 21.409 0.169 2 1957 198 198 VAL CG2 C 24.203 0.084 2 1958 198 198 VAL N N 121.404 0.049 1 1959 199 199 TYR H H 7.522 0.012 1 1960 199 199 TYR HA H 4.093 0.008 1 1961 199 199 TYR HB2 H 3.071 0.009 2 1962 199 199 TYR HB3 H 3.389 0.015 2 1963 199 199 TYR HD1 H 6.999 0.007 3 1964 199 199 TYR HD2 H 6.999 0.007 3 1965 199 199 TYR HE1 H 6.690 0.004 3 1966 199 199 TYR HE2 H 6.690 0.004 3 1967 199 199 TYR C C 177.231 0.001 1 1968 199 199 TYR CA C 61.997 0.106 1 1969 199 199 TYR CB C 38.492 0.204 1 1970 199 199 TYR CD1 C 131.883 0.034 3 1971 199 199 TYR CD2 C 131.883 0.034 3 1972 199 199 TYR CE1 C 117.357 0.033 3 1973 199 199 TYR CE2 C 117.357 0.033 3 1974 199 199 TYR N N 117.725 0.107 1 1975 200 200 LEU H H 8.561 0.014 1 1976 200 200 LEU HA H 3.867 0.015 1 1977 200 200 LEU HB2 H 1.501 0.021 2 1978 200 200 LEU HB3 H 1.610 0.028 2 1979 200 200 LEU HD1 H 0.279 0.008 2 1980 200 200 LEU HD2 H 0.813 0.017 2 1981 200 200 LEU HG H 1.851 0.016 1 1982 200 200 LEU C C 179.564 0.010 1 1983 200 200 LEU CA C 58.537 0.137 1 1984 200 200 LEU CB C 41.807 0.265 1 1985 200 200 LEU CD1 C 24.726 0.096 2 1986 200 200 LEU CD2 C 23.214 0.104 2 1987 200 200 LEU CG C 26.523 0.095 1 1988 200 200 LEU N N 117.297 0.054 1 1989 201 201 ASP H H 9.718 0.008 1 1990 201 201 ASP HA H 4.193 0.008 1 1991 201 201 ASP HB2 H 2.634 0.015 2 1992 201 201 ASP HB3 H 3.220 0.023 2 1993 201 201 ASP C C 179.203 0.012 1 1994 201 201 ASP CA C 56.662 0.059 1 1995 201 201 ASP CB C 39.476 0.153 1 1996 201 201 ASP N N 120.354 0.049 1 1997 202 202 LEU H H 8.495 0.016 1 1998 202 202 LEU HA H 4.190 0.015 1 1999 202 202 LEU HB2 H 2.169 0.025 2 2000 202 202 LEU HB3 H 2.322 0.015 2 2001 202 202 LEU HD1 H 1.019 0.015 2 2002 202 202 LEU HD2 H 0.880 0.016 2 2003 202 202 LEU HG H 2.156 0.020 1 2004 202 202 LEU C C 180.542 0.006 1 2005 202 202 LEU CA C 58.706 0.070 1 2006 202 202 LEU CB C 41.562 0.338 1 2007 202 202 LEU CD1 C 23.132 0.074 2 2008 202 202 LEU CD2 C 26.019 0.107 2 2009 202 202 LEU CG C 27.395 0.135 1 2010 202 202 LEU N N 118.505 0.077 1 2011 203 203 VAL H H 8.397 0.008 1 2012 203 203 VAL HA H 3.592 0.009 1 2013 203 203 VAL HB H 2.291 0.012 1 2014 203 203 VAL HG1 H 0.996 0.019 2 2015 203 203 VAL HG2 H 1.045 0.029 2 2016 203 203 VAL C C 177.571 0.000 1 2017 203 203 VAL CA C 68.142 0.351 1 2018 203 203 VAL CB C 31.046 0.141 1 2019 203 203 VAL CG1 C 22.622 0.080 2 2020 203 203 VAL CG2 C 23.771 0.104 2 2021 203 203 VAL N N 119.092 0.075 1 2022 204 204 THR H H 9.403 0.012 1 2023 204 204 THR HA H 4.164 0.021 1 2024 204 204 THR HB H 4.658 0.015 1 2025 204 204 THR HG2 H 1.816 0.014 1 2026 204 204 THR CA C 65.281 0.180 1 2027 204 204 THR CB C 69.829 0.003 1 2028 204 204 THR CG2 C 24.785 0.089 1 2029 204 204 THR N N 110.038 0.100 1 2030 205 205 LYR H H 7.714 0.010 1 2031 205 205 LYR C C 177.179 0.000 1 2032 205 205 LYR CA C 58.555 0.048 1 2033 205 205 LYR CB C 34.879 0.167 1 2034 205 205 LYR N N 113.491 0.081 1 2035 206 206 VAL H H 7.841 0.014 1 2036 206 206 VAL HA H 4.235 0.032 1 2037 206 206 VAL HB H 2.630 0.012 1 2038 206 206 VAL HG1 H 1.024 0.016 2 2039 206 206 VAL HG2 H 1.417 0.015 2 2040 206 206 VAL C C 178.675 0.000 1 2041 206 206 VAL CA C 66.457 0.220 1 2042 206 206 VAL CB C 30.997 0.246 1 2043 206 206 VAL CG1 C 22.476 0.071 2 2044 206 206 VAL CG2 C 24.204 0.159 2 2045 206 206 VAL N N 120.182 0.086 1 2046 207 207 GLY H H 9.129 0.009 1 2047 207 207 GLY HA2 H 3.565 0.022 2 2048 207 207 GLY HA3 H 3.870 0.028 2 2049 207 207 GLY C C 175.036 0.011 1 2050 207 207 GLY CA C 48.534 0.131 1 2051 207 207 GLY N N 109.155 0.061 1 2052 208 208 PHE H H 7.499 0.015 1 2053 208 208 PHE HA H 3.871 0.026 1 2054 208 208 PHE HB2 H 3.014 0.008 2 2055 208 208 PHE HB3 H 3.253 0.010 2 2056 208 208 PHE HD1 H 6.988 0.011 3 2057 208 208 PHE HD2 H 6.988 0.011 3 2058 208 208 PHE C C 176.213 0.005 1 2059 208 208 PHE CA C 60.825 0.180 1 2060 208 208 PHE CB C 40.541 0.045 1 2061 208 208 PHE N N 120.497 0.048 1 2062 209 209 GLY H H 8.068 0.011 1 2063 209 209 GLY C C 175.438 0.013 1 2064 209 209 GLY CA C 48.096 0.072 1 2065 209 209 GLY N N 103.150 0.060 1 2066 210 210 PHE H H 9.169 0.011 1 2067 210 210 PHE HA H 4.597 0.018 1 2068 210 210 PHE HB2 H 3.414 0.013 2 2069 210 210 PHE HB3 H 3.535 0.013 2 2070 210 210 PHE HD1 H 7.553 0.010 3 2071 210 210 PHE HD2 H 7.553 0.010 3 2072 210 210 PHE HE1 H 7.236 0.015 3 2073 210 210 PHE HE2 H 7.236 0.015 3 2074 210 210 PHE HZ H 7.085 0.009 1 2075 210 210 PHE C C 178.593 0.002 1 2076 210 210 PHE CA C 62.264 0.131 1 2077 210 210 PHE CB C 38.357 0.207 1 2078 210 210 PHE CD1 C 130.994 0.114 3 2079 210 210 PHE CD2 C 130.994 0.114 3 2080 210 210 PHE CE1 C 130.684 0.057 3 2081 210 210 PHE CE2 C 130.684 0.057 3 2082 210 210 PHE CZ C 128.677 0.181 1 2083 210 210 PHE N N 120.865 0.071 1 2084 211 211 ILE H H 8.484 0.012 1 2085 211 211 ILE HA H 3.837 0.014 1 2086 211 211 ILE HB H 2.072 0.021 1 2087 211 211 ILE HD1 H 0.920 0.021 1 2088 211 211 ILE HG12 H 1.250 0.020 2 2089 211 211 ILE HG13 H 1.984 0.023 2 2090 211 211 ILE HG2 H 0.861 0.017 1 2091 211 211 ILE C C 178.876 0.000 1 2092 211 211 ILE CA C 65.041 0.164 1 2093 211 211 ILE CB C 36.783 0.252 1 2094 211 211 ILE CD1 C 13.763 0.098 1 2095 211 211 ILE CG1 C 29.263 0.199 1 2096 211 211 ILE CG2 C 17.153 0.098 1 2097 211 211 ILE N N 120.335 0.082 1 2098 212 212 ALA H H 7.829 0.015 1 2099 212 212 ALA HA H 4.145 0.020 1 2100 212 212 ALA HB H 1.445 0.017 1 2101 212 212 ALA C C 178.763 0.008 1 2102 212 212 ALA CA C 55.320 0.134 1 2103 212 212 ALA CB C 17.555 0.221 1 2104 212 212 ALA N N 121.330 0.079 1 2105 213 213 LEU H H 8.629 0.011 1 2106 213 213 LEU HA H 4.122 0.018 1 2107 213 213 LEU HB2 H 1.849 0.013 2 2108 213 213 LEU HB3 H 2.127 0.023 2 2109 213 213 LEU HD1 H 1.092 0.017 2 2110 213 213 LEU HD2 H 1.099 0.016 2 2111 213 213 LEU HG H 2.162 0.023 1 2112 213 213 LEU C C 180.442 0.008 1 2113 213 213 LEU CA C 58.050 0.088 1 2114 213 213 LEU CB C 41.684 0.318 1 2115 213 213 LEU CD1 C 23.935 0.111 2 2116 213 213 LEU CD2 C 25.244 0.121 2 2117 213 213 LEU CG C 27.389 0.122 1 2118 213 213 LEU N N 116.380 0.088 1 2119 214 214 ASP H H 8.408 0.012 1 2120 214 214 ASP HA H 4.576 0.008 1 2121 214 214 ASP HB2 H 2.831 0.008 1 2122 214 214 ASP HB3 H 2.831 0.008 1 2123 214 214 ASP C C 177.956 0.012 1 2124 214 214 ASP CA C 57.170 0.071 1 2125 214 214 ASP CB C 41.922 0.082 1 2126 214 214 ASP N N 119.949 0.099 1 2127 215 215 ALA H H 7.944 0.013 1 2128 215 215 ALA HA H 4.434 0.018 1 2129 215 215 ALA HB H 1.672 0.016 1 2130 215 215 ALA C C 179.769 0.009 1 2131 215 215 ALA CA C 53.704 0.160 1 2132 215 215 ALA CB C 19.596 0.226 1 2133 215 215 ALA N N 120.343 0.050 1 2134 216 216 ALA H H 8.250 0.012 1 2135 216 216 ALA HA H 4.073 0.012 1 2136 216 216 ALA HB H 1.686 0.017 1 2137 216 216 ALA C C 179.451 0.007 1 2138 216 216 ALA CA C 55.347 0.105 1 2139 216 216 ALA CB C 18.181 0.194 1 2140 216 216 ALA N N 120.234 0.070 1 2141 217 217 ALA H H 8.252 0.010 1 2142 217 217 ALA HA H 4.287 0.017 1 2143 217 217 ALA HB H 1.720 0.008 1 2144 217 217 ALA C C 180.668 0.002 1 2145 217 217 ALA CA C 54.922 0.061 1 2146 217 217 ALA CB C 18.161 0.187 1 2147 217 217 ALA N N 118.709 0.048 1 2148 218 218 THR H H 7.971 0.017 1 2149 218 218 THR HA H 4.261 0.021 1 2150 218 218 THR HB H 4.452 0.005 1 2151 218 218 THR HG2 H 1.384 0.017 1 2152 218 218 THR C C 176.359 0.000 1 2153 218 218 THR CA C 65.069 0.062 1 2154 218 218 THR CB C 68.888 0.147 1 2155 218 218 THR CG2 C 21.744 0.068 1 2156 218 218 THR N N 113.246 0.097 1 2157 219 219 LEU H H 8.040 0.013 1 2158 219 219 LEU HA H 4.268 0.014 1 2159 219 219 LEU HB2 H 1.645 0.018 2 2160 219 219 LEU HB3 H 1.952 0.004 2 2161 219 219 LEU HD1 H 0.833 0.017 2 2162 219 219 LEU HD2 H 0.850 0.011 2 2163 219 219 LEU HG H 1.853 0.014 1 2164 219 219 LEU C C 178.849 0.002 1 2165 219 219 LEU CA C 57.067 0.126 1 2166 219 219 LEU CB C 41.613 0.308 1 2167 219 219 LEU CD1 C 23.026 0.129 2 2168 219 219 LEU CD2 C 25.060 0.061 2 2169 219 219 LEU CG C 26.744 0.109 1 2170 219 219 LEU N N 121.273 0.049 1 2171 220 220 ARG H H 8.002 0.014 1 2172 220 220 ARG HA H 4.288 0.018 1 2173 220 220 ARG HD2 H 3.404 0.006 1 2174 220 220 ARG HD3 H 3.404 0.006 1 2175 220 220 ARG C C 177.437 0.009 1 2176 220 220 ARG CA C 57.799 0.060 1 2177 220 220 ARG CB C 29.902 0.017 1 2178 220 220 ARG N N 117.680 0.084 1 2179 221 221 ALA H H 7.857 0.012 1 2180 221 221 ALA HA H 4.440 0.015 1 2181 221 221 ALA HB H 1.642 0.005 1 2182 221 221 ALA C C 178.680 0.002 1 2183 221 221 ALA CA C 53.228 0.120 1 2184 221 221 ALA CB C 18.907 0.201 1 2185 221 221 ALA N N 121.629 0.034 1 2186 222 222 GLU H H 8.117 0.009 1 2187 222 222 GLU HA H 4.382 0.028 1 2188 222 222 GLU HB2 H 2.158 0.008 1 2189 222 222 GLU HB3 H 2.158 0.008 1 2190 222 222 GLU HG2 H 2.368 0.015 2 2191 222 222 GLU HG3 H 2.474 0.015 2 2192 222 222 GLU C C 177.028 0.021 1 2193 222 222 GLU CA C 57.161 0.070 1 2194 222 222 GLU CB C 29.866 0.242 1 2195 222 222 GLU N N 117.915 0.079 1 2196 223 223 HIS H H 8.291 0.005 1 2197 223 223 HIS HA H 4.901 0.005 1 2198 223 223 HIS HB2 H 3.360 0.011 2 2199 223 223 HIS HB3 H 3.530 0.007 2 2200 223 223 HIS HD2 H 7.429 0.002 1 2201 223 223 HIS C C 175.608 0.014 1 2202 223 223 HIS CA C 55.655 0.136 1 2203 223 223 HIS CB C 29.368 0.164 1 2204 223 223 HIS CD2 C 120.416 0.156 1 2205 223 223 HIS N N 117.367 0.132 1 2206 224 224 GLY H H 8.369 0.006 1 2207 224 224 GLY HA2 H 4.165 0.013 1 2208 224 224 GLY HA3 H 4.165 0.013 1 2209 224 224 GLY C C 174.504 0.000 1 2210 224 224 GLY CA C 45.615 0.089 1 2211 224 224 GLY N N 108.798 0.059 1 2212 225 225 GLU H H 8.445 0.010 1 2213 225 225 GLU HA H 4.525 0.008 1 2214 225 225 GLU HB2 H 2.123 0.014 2 2215 225 225 GLU HB3 H 2.251 0.006 2 2216 225 225 GLU HG2 H 2.452 0.009 1 2217 225 225 GLU HG3 H 2.452 0.009 1 2218 225 225 GLU C C 176.778 0.012 1 2219 225 225 GLU CA C 56.539 0.003 1 2220 225 225 GLU CB C 30.281 0.204 1 2221 225 225 GLU N N 120.287 0.071 1 2222 226 226 SER H H 8.398 0.009 1 2223 226 226 SER HB2 H 4.057 0.001 1 2224 226 226 SER HB3 H 4.057 0.001 1 2225 226 226 SER C C 174.892 0.000 1 2226 226 226 SER CA C 58.163 0.021 1 2227 226 226 SER CB C 63.464 0.023 1 2228 226 226 SER N N 115.913 0.045 1 2229 227 227 LEU H H 8.349 0.002 1 2230 227 227 LEU HA H 4.493 0.009 1 2231 227 227 LEU HB2 H 1.754 0.021 2 2232 227 227 LEU HB3 H 1.769 0.010 2 2233 227 227 LEU HD1 H 1.007 0.016 2 2234 227 227 LEU HD2 H 1.036 0.019 2 2235 227 227 LEU HG H 1.777 0.013 1 2236 227 227 LEU C C 177.169 0.016 1 2237 227 227 LEU CA C 55.125 0.027 1 2238 227 227 LEU CB C 42.127 0.332 1 2239 227 227 LEU CD1 C 23.454 0.092 2 2240 227 227 LEU CD2 C 25.023 0.031 2 2241 227 227 LEU CG C 26.923 0.066 1 2242 227 227 LEU N N 123.667 0.045 1 2243 228 228 ALA H H 8.221 0.007 1 2244 228 228 ALA HA H 4.492 0.010 1 2245 228 228 ALA HB H 1.550 0.009 1 2246 228 228 ALA C C 178.329 0.003 1 2247 228 228 ALA CA C 52.491 0.057 1 2248 228 228 ALA CB C 19.089 0.256 1 2249 228 228 ALA N N 123.347 0.037 1 2250 229 229 GLY H H 8.337 0.008 1 2251 229 229 GLY HA2 H 4.125 0.015 1 2252 229 229 GLY HA3 H 4.125 0.015 1 2253 229 229 GLY C C 174.391 0.010 1 2254 229 229 GLY CA C 45.310 0.078 1 2255 229 229 GLY N N 107.614 0.052 1 2256 230 230 VAL H H 7.945 0.012 1 2257 230 230 VAL HA H 4.350 0.011 1 2258 230 230 VAL HB H 2.275 0.013 1 2259 230 230 VAL HG1 H 1.077 0.012 2 2260 230 230 VAL HG2 H 1.084 0.010 2 2261 230 230 VAL C C 176.088 0.023 1 2262 230 230 VAL CA C 62.046 0.134 1 2263 230 230 VAL CB C 32.583 0.223 1 2264 230 230 VAL CG1 C 20.320 0.048 2 2265 230 230 VAL CG2 C 21.321 0.050 2 2266 230 230 VAL N N 117.926 0.120 1 2267 231 231 ASP H H 8.499 0.010 1 2268 231 231 ASP HA H 4.868 0.000 1 2269 231 231 ASP HB2 H 2.813 0.000 2 2270 231 231 ASP HB3 H 2.905 0.013 2 2271 231 231 ASP C C 176.596 0.008 1 2272 231 231 ASP CA C 54.301 0.014 1 2273 231 231 ASP CB C 40.835 0.031 1 2274 231 231 ASP N N 122.934 0.020 1 2275 232 232 THR H H 8.123 0.009 1 2276 232 232 THR HA H 4.494 0.005 1 2277 232 232 THR HB H 4.442 0.021 1 2278 232 232 THR HG2 H 1.352 0.020 1 2279 232 232 THR C C 174.576 0.025 1 2280 232 232 THR CA C 61.771 0.120 1 2281 232 232 THR CB C 69.515 0.121 1 2282 232 232 THR CG2 C 21.366 0.081 1 2283 232 232 THR N N 113.061 0.089 1 2284 233 233 ASP H H 8.443 0.004 1 2285 233 233 ASP HA H 4.856 0.009 1 2286 233 233 ASP HB2 H 2.847 0.020 1 2287 233 233 ASP HB3 H 2.847 0.020 1 2288 233 233 ASP C C 176.231 0.021 1 2289 233 233 ASP CA C 54.388 0.077 1 2290 233 233 ASP CB C 40.882 0.024 1 2291 233 233 ASP N N 122.169 0.046 1 2292 234 234 THR H H 8.123 0.009 1 2293 234 234 THR HA H 4.715 0.006 1 2294 234 234 THR HB H 4.284 0.017 1 2295 234 234 THR HG2 H 1.374 0.007 1 2296 234 234 THR C C 173.086 0.000 1 2297 234 234 THR CA C 59.748 0.070 1 2298 234 234 THR CB C 69.717 0.092 1 2299 234 234 THR CG2 C 21.449 0.137 1 2300 234 234 THR N N 115.992 0.104 1 2301 235 235 PRO C C 176.817 0.000 1 2302 235 235 PRO CA C 63.064 0.000 1 2303 235 235 PRO CB C 31.441 0.000 1 2304 236 236 ALA H H 8.362 0.010 1 2305 236 236 ALA HA H 4.475 0.008 1 2306 236 236 ALA HB H 1.538 0.009 1 2307 236 236 ALA C C 178.089 0.016 1 2308 236 236 ALA CA C 52.422 0.089 1 2309 236 236 ALA CB C 18.899 0.266 1 2310 236 236 ALA N N 123.683 0.082 1 2311 237 237 VAL H H 7.998 0.012 1 2312 237 237 VAL HA H 4.223 0.012 1 2313 237 237 VAL HB H 2.230 0.012 1 2314 237 237 VAL HG1 H 1.081 0.013 2 2315 237 237 VAL HG2 H 1.089 0.014 2 2316 237 237 VAL C C 176.240 0.025 1 2317 237 237 VAL CA C 62.272 0.115 1 2318 237 237 VAL CB C 32.389 0.221 1 2319 237 237 VAL CG1 C 20.479 0.005 2 2320 237 237 VAL CG2 C 21.330 0.119 2 2321 237 237 VAL N N 117.995 0.132 1 2322 238 238 ALA H H 8.300 0.011 1 2323 238 238 ALA HA H 4.469 0.015 1 2324 238 238 ALA HB H 1.530 0.012 1 2325 238 238 ALA C C 177.557 0.006 1 2326 238 238 ALA CA C 52.507 0.040 1 2327 238 238 ALA CB C 19.044 0.284 1 2328 238 238 ALA N N 125.981 0.056 1 2329 239 239 ASP H H 8.219 0.008 1 2330 239 239 ASP HB2 H 2.824 0.000 2 2331 239 239 ASP HB3 H 2.910 0.003 2 2332 239 239 ASP C C 176.629 0.001 1 2333 239 239 ASP CA C 54.140 0.015 1 2334 239 239 ASP CB C 40.695 0.028 1 2335 239 239 ASP N N 118.655 0.073 1 2336 240 240 LEU H H 8.167 0.005 1 2337 240 240 LEU HA H 4.336 0.011 1 2338 240 240 LEU HB2 H 1.747 0.031 2 2339 240 240 LEU HB3 H 1.781 0.009 2 2340 240 240 LEU HD1 H 1.000 0.011 2 2341 240 240 LEU HD2 H 1.052 0.019 2 2342 240 240 LEU HG H 1.781 0.006 1 2343 240 240 LEU C C 178.014 0.000 1 2344 240 240 LEU CA C 55.766 0.036 1 2345 240 240 LEU CB C 42.114 0.315 1 2346 240 240 LEU CD1 C 23.454 0.074 2 2347 240 240 LEU CD2 C 25.013 0.023 2 2348 240 240 LEU CG C 26.976 0.008 1 2349 240 240 LEU N N 121.603 0.032 1 2350 241 241 GLU H H 8.284 0.004 1 2351 241 241 GLU HA H 4.336 0.015 1 2352 241 241 GLU HB2 H 2.040 0.005 1 2353 241 241 GLU HB3 H 2.040 0.005 1 2354 241 241 GLU HG2 H 2.319 0.000 1 2355 241 241 GLU HG3 H 2.319 0.000 1 2356 241 241 GLU C C 176.745 0.000 1 2357 241 241 GLU CA C 56.773 0.000 1 2358 241 241 GLU CB C 29.436 0.000 1 2359 241 241 GLU N N 118.823 0.172 1 stop_ save_