data_4030 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Refinement of the Solution Structure of Calcium-Free, Myristoylated Recoverin ; _BMRB_accession_number 4030 _BMRB_flat_file_name bmr4030.str _Entry_type update _Submission_date 1997-04-10 _Accession_date 1997-04-17 _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 Tanaka Toshiyuki . . 2 Ames James B. . 3 Kainosho Masatsune . . 4 Stryer Lubert . . 5 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1241 "13C chemical shifts" 827 "15N chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'Updating non-standard residue' 2001-02-17 reformat BMRB 'Format updated to NMR-STAR version 2.1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Tanaka, T., Ames, J.B., Kainosho, M., Stryer, L., and Ikura, M., "Differential isotype labeling strategy for determining the structure of myristoylated recoverin by NMR spectroscopy," J. Biomol NMR 11, 135-152 (1998). ; _Citation_title ; Differential isotype labeling strategy for determining the structure of myristoylated recoverin by NMR spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99032118 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tanaka Toshiyuki . . 2 Ames James B. . 3 Kainosho Masatsune . . 4 Stryer Lubert . . 5 Ikura Mitsuhiko . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 135 _Page_last 152 _Year 1998 _Details . loop_ _Keyword 'Calcium-Myristoyl Switch' EF-hands NMR 'Nuclear Magnetic Resonance' Protein Recoverin 'Resonance Assignments' 'Solution Structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_apo-recoverin _Saveframe_category molecular_system _Mol_system_name apo-recoverin _Abbreviation_common apo-recoverin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label apo-recoverin $apo-recoverin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'calcium-binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apo-recoverin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common recoverin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 202 _Mol_residue_sequence ; XGNSKSGALSKEILEELQLN TKFTEEELSSWYQSFLKECP SGRITRQEFQTIYSKFFPEA DPKAYAQHVFRSFDANSDGT LDFKEYVIALHMTSAGKTNQ KLEWAFSLYDVDGNGTISKN EVLEIVTAIFKMISPEDTKH LPEDENTPEKRAEKIWGFFG KKDDDKLTEKEFIEGTLANK EILRLIQFEPQKVKEKLKEK KL ; loop_ _Residue_seq_code _Residue_label 1 MYR 2 GLY 3 ASN 4 SER 5 LYS 6 SER 7 GLY 8 ALA 9 LEU 10 SER 11 LYS 12 GLU 13 ILE 14 LEU 15 GLU 16 GLU 17 LEU 18 GLN 19 LEU 20 ASN 21 THR 22 LYS 23 PHE 24 THR 25 GLU 26 GLU 27 GLU 28 LEU 29 SER 30 SER 31 TRP 32 TYR 33 GLN 34 SER 35 PHE 36 LEU 37 LYS 38 GLU 39 CYS 40 PRO 41 SER 42 GLY 43 ARG 44 ILE 45 THR 46 ARG 47 GLN 48 GLU 49 PHE 50 GLN 51 THR 52 ILE 53 TYR 54 SER 55 LYS 56 PHE 57 PHE 58 PRO 59 GLU 60 ALA 61 ASP 62 PRO 63 LYS 64 ALA 65 TYR 66 ALA 67 GLN 68 HIS 69 VAL 70 PHE 71 ARG 72 SER 73 PHE 74 ASP 75 ALA 76 ASN 77 SER 78 ASP 79 GLY 80 THR 81 LEU 82 ASP 83 PHE 84 LYS 85 GLU 86 TYR 87 VAL 88 ILE 89 ALA 90 LEU 91 HIS 92 MET 93 THR 94 SER 95 ALA 96 GLY 97 LYS 98 THR 99 ASN 100 GLN 101 LYS 102 LEU 103 GLU 104 TRP 105 ALA 106 PHE 107 SER 108 LEU 109 TYR 110 ASP 111 VAL 112 ASP 113 GLY 114 ASN 115 GLY 116 THR 117 ILE 118 SER 119 LYS 120 ASN 121 GLU 122 VAL 123 LEU 124 GLU 125 ILE 126 VAL 127 THR 128 ALA 129 ILE 130 PHE 131 LYS 132 MET 133 ILE 134 SER 135 PRO 136 GLU 137 ASP 138 THR 139 LYS 140 HIS 141 LEU 142 PRO 143 GLU 144 ASP 145 GLU 146 ASN 147 THR 148 PRO 149 GLU 150 LYS 151 ARG 152 ALA 153 GLU 154 LYS 155 ILE 156 TRP 157 GLY 158 PHE 159 PHE 160 GLY 161 LYS 162 LYS 163 ASP 164 ASP 165 ASP 166 LYS 167 LEU 168 THR 169 GLU 170 LYS 171 GLU 172 PHE 173 ILE 174 GLU 175 GLY 176 THR 177 LEU 178 ALA 179 ASN 180 LYS 181 GLU 182 ILE 183 LEU 184 ARG 185 LEU 186 ILE 187 GLN 188 PHE 189 GLU 190 PRO 191 GLN 192 LYS 193 VAL 194 LYS 195 GLU 196 LYS 197 LEU 198 LYS 199 GLU 200 LYS 201 LYS 202 LEU 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 1IKU "Myristoylated Recoverin In The Calcium-Free State, Nmr, 22 Structures" 99.50 201 100.00 100.00 8.55e-143 PDB 1JSA "Myristoylated Recoverin With Two Calciums Bound, Nmr, 24 Structures" 99.01 201 100.00 100.00 1.00e-141 PDB 1LA3 "Solution Structure Of Recoverin Mutant, E85q" 99.01 201 99.50 100.00 2.06e-141 PDB 1OMR "Non-Myristoylated Wild-Type Bovine Recoverin With Calcium Bound To Ef- Hand 3" 99.50 201 100.00 100.00 8.55e-143 PDB 1OMV "Non-Myristoylated Bovine Recoverin (E85q Mutant) With Calcium Bound To Ef-Hand 3" 99.50 201 99.50 100.00 2.67e-142 PDB 1REC "Three-Dimensional Structure Of Recoverin, A Calcium Sensor In Vision" 99.50 201 100.00 100.00 8.55e-143 PDB 2HET "Non-Myristoylated Bovine Recoverin (Truncated At C-Terminus) With Calcium Bound To Ef-Hand 3" 93.56 189 100.00 100.00 8.45e-135 PDB 2I94 "Nmr Structure Of Recoverin Bound To Rhodopsin Kinase" 99.50 202 100.00 100.00 6.89e-143 PDB 4M2O "Crystal Structure Of A Non-myristoylated C39a Recoverin Mutant With One Calcium Ion Bound To Ef-hand 3" 97.03 196 99.49 99.49 2.96e-138 PDB 4M2P "Crystal Structure Of A Non-myristoylated C39d Recoverin Mutant With One Calcium Ion Bound To Ef-hand 3" 99.50 201 99.50 99.50 8.73e-141 PDB 4M2Q "Crystal Structure Of Non-myristoylated Recoverin With Cysteine-39 Oxidized To Sulfenic Acid" 99.50 201 99.50 99.50 4.43e-141 PDB 4MLW "Crystal Structure Of Non-myristoylated Recoverin At 1.45 A Resolution With Calcium Bound To Ef-hand 3" 99.50 201 100.00 100.00 8.55e-143 EMBL CAA44928 "P26-calcium binding protein [Bos taurus]" 99.50 202 100.00 100.00 6.89e-143 GB AAB59256 "recoverin [Bos taurus]" 99.50 202 100.00 100.00 6.89e-143 GB ELR47741 "Recoverin [Bos mutus]" 99.01 202 99.50 99.50 7.93e-141 PRF 1802271A "Ca-binding protein P26" 99.50 202 100.00 100.00 6.89e-143 REF NP_776590 "recoverin [Bos taurus]" 99.50 202 100.00 100.00 6.89e-143 REF XP_004012748 "PREDICTED: recoverin [Ovis aries]" 99.01 202 98.00 99.00 4.20e-139 REF XP_005693626 "PREDICTED: recoverin [Capra hircus]" 99.01 202 97.50 99.00 1.04e-138 REF XP_005907603 "PREDICTED: recoverin [Bos mutus]" 99.01 202 99.50 99.50 7.93e-141 REF XP_005959860 "PREDICTED: recoverin [Pantholops hodgsonii]" 99.01 202 97.50 98.50 2.44e-138 SP P21457 "RecName: Full=Recoverin; AltName: Full=p26" 99.50 202 100.00 100.00 6.89e-143 TPG DAA18803 "TPA: recoverin [Bos taurus]" 99.50 202 100.00 100.00 6.89e-143 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_MYR _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'MYRISTIC ACID' _BMRB_code . _PDB_code MYR _Standard_residue_derivative . _Molecular_mass 228.371 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 11 09:58:59 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 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 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H143 H143 H . 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 DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C9 C10 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C10 C11 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C14 H143 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue _Organelle $apo-recoverin bovine 9913 Eukaryota Metazoa Bos taurus retina rod stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $apo-recoverin 'recombinant technology' 'E. coli' Escherichia coli DH5aF plasmid pTrec2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $apo-recoverin . mM 1.0 1.5 '[U-95% 15N; U-95% 13C]' d12-EDTA 1 mM . . . d10-DTT 10 mM . . . KCl 100 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_software_NMR-PIPE _Saveframe_category software _Name NMRPipe _Version 1.0 loop_ _Task 'FID transformations' stop_ _Details . save_ save_software_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task 'peak picking' stop_ _Details . save_ save_software_X-PLOR _Saveframe_category software _Name X-PLOR _Version 2.1 loop_ _Task 'structure determination' stop_ _Details . save_ save_software_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Task 'FID transformations' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 . n/a temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 TSP C 13 'methyl protons' ppm 0.0 external direct . . . TSP H 1 'methyl protons' ppm 0.0 external direct . . . 'liquid NH3' N 15 nitrogen ppm 0.0 external direct . . . 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_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_NMR-PIPE $software_PIPP $software_X-PLOR stop_ loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name apo-recoverin _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 MYR H141 H 0.95 . 1 2 . 1 MYR H142 H 0.95 . 1 3 . 1 MYR H143 H 0.95 . 1 4 . 1 MYR C14 C 17.1 . 1 5 . 1 MYR H131 H 1.28 . 1 6 . 1 MYR H132 H 1.28 . 1 7 . 1 MYR C13 C 25.5 . 1 8 . 1 MYR H121 H 0.94 . 1 9 . 1 MYR H122 H 1.05 . 1 10 . 1 MYR C12 C 34.5 . 1 11 . 1 MYR H111 H 0.77 . 1 12 . 1 MYR H112 H 0.91 . 1 13 . 1 MYR C11 C 31.4 . 1 14 . 1 MYR H101 H 1.35 . 1 15 . 1 MYR H102 H 1.35 . 1 16 . 1 MYR C10 C 32.4 . 1 17 . 1 MYR H91 H 1.35 . 1 18 . 1 MYR H92 H 1.35 . 1 19 . 1 MYR C9 C 32.8 . 1 20 . 1 MYR H81 H 1.09 . 1 21 . 1 MYR H82 H 1.09 . 1 22 . 1 MYR C8 C 32.1 . 1 23 . 1 MYR H71 H 1.35 . 1 24 . 1 MYR H72 H 1.35 . 1 25 . 1 MYR C7 C 32.8 . 1 26 . 1 MYR H61 H 1.35 . 1 27 . 1 MYR H62 H 1.35 . 1 28 . 1 MYR C6 C 32.4 . 1 29 . 1 MYR H51 H 1.14 . 1 30 . 1 MYR H52 H 1.19 . 1 31 . 1 MYR C5 C 32.1 . 1 32 . 1 MYR H41 H 1.05 . 1 33 . 1 MYR H42 H 0.78 . 1 34 . 1 MYR C4 C 31.7 . 1 35 . 1 MYR H31 H 1.55 . 1 36 . 1 MYR H32 H 1.26 . 1 37 . 1 MYR C3 C 27.5 . 1 38 . 1 MYR H21 H 1.97 . 1 39 . 1 MYR H22 H 1.86 . 1 40 . 1 MYR C2 C 38.00 . 1 41 . 1 MYR C C 178.1 . 1 42 . 2 GLY N N 111.4 . 1 43 . 2 GLY H H 7.57 . 1 44 . 2 GLY C C 173.2 . 1 45 . 2 GLY CA C 45.9 . 1 46 . 2 GLY HA2 H 3.96 . 2 47 . 2 GLY HA3 H 3.7 . 2 48 . 3 ASN N N 115.7 . 1 49 . 3 ASN H H 7.63 . 1 50 . 3 ASN C C 175.8 . 1 51 . 3 ASN CA C 51.3 . 1 52 . 3 ASN HA H 4.83 . 1 53 . 3 ASN CB C 39.4 . 1 54 . 3 ASN HB2 H 3.18 . 2 55 . 3 ASN HB3 H 3.12 . 2 56 . 4 SER N N 116.00 . 1 57 . 4 SER H H 8.8 . 1 58 . 4 SER C C 175.8 . 1 59 . 4 SER CA C 61.8 . 1 60 . 4 SER HA H 4.23 . 1 61 . 4 SER CB C 63.00 . 1 62 . 4 SER HB2 H 4.01 . 1 63 . 4 SER HB3 H 4.01 . 1 64 . 5 LYS N N 124.1 . 1 65 . 5 LYS H H 8.4 . 1 66 . 5 LYS C C 178.5 . 1 67 . 5 LYS CA C 58.6 . 1 68 . 5 LYS HA H 4.32 . 1 69 . 5 LYS CB C 31.7 . 1 70 . 5 LYS HB2 H 1.94 . 1 71 . 5 LYS HB3 H 1.94 . 1 72 . 5 LYS HG2 H 1.46 . 1 73 . 5 LYS HG3 H 1.46 . 1 74 . 5 LYS HD2 H 1.78 . 1 75 . 5 LYS HD3 H 1.78 . 1 76 . 5 LYS HE2 H 3.02 . 1 77 . 5 LYS HE3 H 3.02 . 1 78 . 6 SER N N 115.1 . 1 79 . 6 SER H H 8.12 . 1 80 . 6 SER C C 176.7 . 1 81 . 6 SER CA C 62.3 . 1 82 . 6 SER HA H 4.22 . 1 83 . 6 SER CB C 63.5 . 1 84 . 6 SER HB2 H 3.69 . 2 85 . 6 SER HB3 H 3.63 . 2 86 . 7 GLY N N 108.00 . 1 87 . 7 GLY H H 8.26 . 1 88 . 7 GLY C C 174.4 . 1 89 . 7 GLY CA C 47.2 . 1 90 . 7 GLY HA2 H 4.08 . 2 91 . 7 GLY HA3 H 3.83 . 2 92 . 8 ALA N N 124.8 . 1 93 . 8 ALA H H 8.24 . 1 94 . 8 ALA C C 180.8 . 1 95 . 8 ALA CA C 55.00 . 1 96 . 8 ALA HA H 4.14 . 1 97 . 8 ALA CB C 17.9 . 1 98 . 8 ALA HB H 1.62 . 1 99 . 9 LEU N N 119.9 . 1 100 . 9 LEU H H 8.17 . 1 101 . 9 LEU CA C 55.00 . 1 102 . 9 LEU HA H 4.3 . 1 103 . 9 LEU HB2 H 2.22 . 2 104 . 9 LEU HB3 H 1.63 . 2 105 . 9 LEU HG H 1.94 . 1 106 . 9 LEU CD1 C 25.2 . 1 107 . 9 LEU HD1 H 0.98 . 1 108 . 9 LEU CD2 C 22.7 . 1 109 . 9 LEU HD2 H 1.06 . 1 110 . 10 SER N N 117.8 . 1 111 . 10 SER H H 8.81 . 1 112 . 10 SER C C 175.5 . 1 113 . 10 SER CA C 64.5 . 1 114 . 10 SER HA H 4.02 . 1 115 . 10 SER CB C 62.8 . 1 116 . 10 SER HB2 H 3.9 . 1 117 . 10 SER HB3 H 3.9 . 1 118 . 11 LYS N N 118.6 . 1 119 . 11 LYS H H 7.8 . 1 120 . 11 LYS C C 177.7 . 1 121 . 11 LYS CA C 59.4 . 1 122 . 11 LYS HA H 3.8 . 1 123 . 11 LYS CB C 31.5 . 1 124 . 11 LYS HB2 H 2.04 . 2 125 . 11 LYS HB3 H 1.91 . 2 126 . 11 LYS CG C 25.1 . 1 127 . 11 LYS HG2 H 1.69 . 2 128 . 11 LYS HG3 H 1.52 . 2 129 . 11 LYS CE C 41.4 . 1 130 . 11 LYS HE2 H 3.12 . 1 131 . 11 LYS HE3 H 3.12 . 1 132 . 12 GLU N N 117.1 . 1 133 . 12 GLU H H 7.41 . 1 134 . 12 GLU C C 178.9 . 1 135 . 12 GLU CA C 58.9 . 1 136 . 12 GLU HA H 4.18 . 1 137 . 12 GLU CB C 29.8 . 1 138 . 12 GLU HB2 H 2.23 . 2 139 . 12 GLU HB3 H 1.89 . 2 140 . 12 GLU HG2 H 2.52 . 1 141 . 12 GLU HG3 H 2.52 . 1 142 . 13 ILE N N 121.00 . 1 143 . 13 ILE H H 8.61 . 1 144 . 13 ILE C C 177.5 . 1 145 . 13 ILE CA C 64.8 . 1 146 . 13 ILE HA H 3.7 . 1 147 . 13 ILE CB C 41.5 . 1 148 . 13 ILE HB H 1.65 . 1 149 . 13 ILE HG12 H 1.66 . 2 150 . 13 ILE HG13 H 1.62 . 2 151 . 13 ILE CG2 C 17.3 . 1 152 . 13 ILE HG2 H 0.74 . 1 153 . 13 ILE CD1 C 14.5 . 1 154 . 13 ILE HD1 H 0.71 . 1 155 . 14 LEU N N 117.00 . 1 156 . 14 LEU H H 8.6 . 1 157 . 14 LEU CA C 55.3 . 1 158 . 14 LEU HA H 4.13 . 1 159 . 14 LEU HB2 H 1.86 . 1 160 . 14 LEU HB3 H 1.86 . 1 161 . 14 LEU CG C 26.5 . 1 162 . 14 LEU HG H 1.58 . 1 163 . 14 LEU CD1 C 25.5 . 1 164 . 14 LEU HD1 H 0.58 . 1 165 . 14 LEU CD2 C 21.5 . 1 166 . 14 LEU HD2 H 0.24 . 1 167 . 15 GLU N N 122.3 . 1 168 . 15 GLU H H 7.77 . 1 169 . 15 GLU C C 179.7 . 1 170 . 15 GLU CA C 59.7 . 1 171 . 15 GLU HA H 4.06 . 1 172 . 15 GLU CB C 29.00 . 1 173 . 15 GLU HB2 H 2.34 . 2 174 . 15 GLU HB3 H 2.12 . 2 175 . 15 GLU CG C 36.5 . 1 176 . 15 GLU HG2 H 2.5 . 1 177 . 15 GLU HG3 H 2.5 . 1 178 . 16 GLU N N 119.2 . 1 179 . 16 GLU H H 8.29 . 1 180 . 16 GLU C C 177.2 . 1 181 . 16 GLU CA C 58.1 . 1 182 . 16 GLU HA H 4.2 . 1 183 . 16 GLU CB C 28.8 . 1 184 . 16 GLU HB2 H 2.3 . 2 185 . 16 GLU HB3 H 2.1 . 2 186 . 17 LEU N N 118.9 . 1 187 . 17 LEU H H 7.57 . 1 188 . 17 LEU C C 176.2 . 1 189 . 17 LEU CA C 54.1 . 1 190 . 17 LEU HA H 4.37 . 1 191 . 17 LEU CB C 41.7 . 1 192 . 17 LEU HB2 H 1.76 . 1 193 . 17 LEU HB3 H 1.89 . 1 194 . 17 LEU HG H 1.71 . 1 195 . 17 LEU CD1 C 25.9 . 1 196 . 17 LEU HD1 H 0.78 . 1 197 . 17 LEU CD2 C 22.9 . 1 198 . 17 LEU HD2 H 0.78 . 1 199 . 18 GLN N N 112.6 . 1 200 . 18 GLN H H 7.92 . 1 201 . 18 GLN C C 175.2 . 1 202 . 18 GLN CA C 56.8 . 1 203 . 18 GLN HA H 4.00 . 1 204 . 18 GLN CB C 25.7 . 1 205 . 18 GLN HB2 H 2.45 . 2 206 . 18 GLN HB3 H 2.31 . 2 207 . 18 GLN CG C 34.4 . 1 208 . 18 GLN HG2 H 2.32 . 1 209 . 18 GLN HG3 H 2.32 . 1 210 . 18 GLN CD C 180.7 . 1 211 . 18 GLN NE2 N 121.2 . 1 212 . 18 GLN HE21 H 7.5 . 2 213 . 18 GLN HE22 H 6.84 . 2 214 . 19 LEU N N 120.6 . 1 215 . 19 LEU H H 7.43 . 1 216 . 19 LEU CA C 54.6 . 1 217 . 19 LEU HA H 4.08 . 1 218 . 19 LEU HB2 H 1.35 . 2 219 . 19 LEU HB3 H 1.14 . 2 220 . 19 LEU HG H 1.56 . 1 221 . 19 LEU CD1 C 24.6 . 1 222 . 19 LEU HD1 H 0.58 . 1 223 . 19 LEU CD2 C 24.5 . 1 224 . 19 LEU HD2 H 0.65 . 1 225 . 20 ASN N N 121.8 . 1 226 . 20 ASN H H 8.36 . 1 227 . 20 ASN C C 175.4 . 1 228 . 20 ASN CA C 53.5 . 1 229 . 20 ASN HA H 4.61 . 1 230 . 20 ASN CB C 38.5 . 1 231 . 20 ASN HB2 H 2.82 . 2 232 . 20 ASN HB3 H 2.66 . 2 233 . 21 THR N N 117.4 . 1 234 . 21 THR H H 8.37 . 1 235 . 21 THR C C 174.3 . 1 236 . 21 THR CA C 61.4 . 1 237 . 21 THR HA H 4.45 . 1 238 . 21 THR CB C 69.5 . 1 239 . 21 THR HB H 4.25 . 1 240 . 21 THR CG2 C 20.8 . 1 241 . 21 THR HG2 H 1.28 . 1 242 . 22 LYS N N 122.4 . 1 243 . 22 LYS H H 8.23 . 1 244 . 22 LYS C C 176.9 . 1 245 . 22 LYS CA C 56.4 . 1 246 . 22 LYS HA H 4.17 . 1 247 . 22 LYS CB C 32.3 . 1 248 . 22 LYS HB2 H 1.57 . 1 249 . 22 LYS HB3 H 1.57 . 1 250 . 22 LYS CG C 24.7 . 1 251 . 22 LYS HG2 H 1.2 . 1 252 . 22 LYS HG3 H 1.2 . 1 253 . 22 LYS CD C 28.8 . 1 254 . 22 LYS HD2 H 1.5 . 1 255 . 22 LYS HD3 H 1.5 . 1 256 . 22 LYS CE C 41.9 . 1 257 . 22 LYS HE2 H 2.83 . 1 258 . 22 LYS HE3 H 2.83 . 1 259 . 23 PHE N N 118.7 . 1 260 . 23 PHE H H 7.36 . 1 261 . 23 PHE C C 176.00 . 1 262 . 23 PHE CA C 57.4 . 1 263 . 23 PHE HA H 4.82 . 1 264 . 23 PHE CB C 39.9 . 1 265 . 23 PHE HB2 H 2.82 . 1 266 . 23 PHE HB3 H 3.09 . 1 267 . 23 PHE CD1 C 130.9 . 1 268 . 23 PHE CD2 C 130.9 . 1 269 . 23 PHE HD1 H 7.15 . 1 270 . 23 PHE HD2 H 7.15 . 1 271 . 23 PHE CE1 C 131.2 . 1 272 . 23 PHE CE2 C 131.2 . 1 273 . 23 PHE HE1 H 6.93 . 1 274 . 23 PHE HE2 H 6.93 . 1 275 . 23 PHE CZ C 129.1 . 1 276 . 23 PHE HZ H 6.66 . 1 277 . 24 THR N N 114.5 . 1 278 . 24 THR H H 8.93 . 1 279 . 24 THR C C 174.8 . 1 280 . 24 THR CA C 60.3 . 1 281 . 24 THR HA H 4.51 . 1 282 . 24 THR CB C 71.1 . 1 283 . 24 THR HB H 4.81 . 1 284 . 24 THR CG2 C 21.8 . 1 285 . 24 THR HG2 H 1.38 . 1 286 . 25 GLU N N 120.3 . 1 287 . 25 GLU H H 9.8 . 1 288 . 25 GLU C C 177.7 . 1 289 . 25 GLU CA C 60.1 . 1 290 . 25 GLU HA H 3.9 . 1 291 . 25 GLU CB C 28.00 . 1 292 . 25 GLU HB2 H 2.25 . 2 293 . 25 GLU HB3 H 2.09 . 2 294 . 25 GLU CG C 36.5 . 1 295 . 25 GLU HG2 H 2.54 . 1 296 . 25 GLU HG3 H 2.35 . 1 297 . 26 GLU N N 119.2 . 1 298 . 26 GLU H H 8.34 . 1 299 . 26 GLU C C 178.9 . 1 300 . 26 GLU CA C 58.8 . 1 301 . 26 GLU HA H 4.19 . 1 302 . 26 GLU CB C 29.1 . 1 303 . 26 GLU HB2 H 2.08 . 1 304 . 26 GLU HB3 H 2.08 . 1 305 . 26 GLU CG C 36.5 . 1 306 . 26 GLU HG2 H 2.39 . 1 307 . 26 GLU HG3 H 2.39 . 1 308 . 27 GLU N N 121.6 . 1 309 . 27 GLU H H 7.88 . 1 310 . 27 GLU C C 179.6 . 1 311 . 27 GLU CA C 58.7 . 1 312 . 27 GLU HA H 4.13 . 1 313 . 27 GLU CB C 29.9 . 1 314 . 27 GLU HB2 H 2.44 . 1 315 . 27 GLU HB3 H 2.03 . 1 316 . 27 GLU HG2 H 2.46 . 1 317 . 27 GLU HG3 H 2.46 . 1 318 . 28 LEU N N 120.7 . 1 319 . 28 LEU H H 8.42 . 1 320 . 28 LEU C C 177.2 . 1 321 . 28 LEU CA C 58.1 . 1 322 . 28 LEU HA H 4.19 . 1 323 . 28 LEU HB2 H 1.97 . 2 324 . 28 LEU HB3 H 1.56 . 2 325 . 28 LEU CG C 26.8 . 1 326 . 28 LEU HG H 1.86 . 1 327 . 28 LEU HD1 H 0.84 . 1 328 . 28 LEU CD2 C 23.6 . 1 329 . 28 LEU HD2 H 0.69 . 1 330 . 29 SER N N 112.2 . 1 331 . 29 SER H H 7.67 . 1 332 . 29 SER C C 177.00 . 1 333 . 29 SER CA C 60.9 . 1 334 . 29 SER HA H 4.59 . 1 335 . 29 SER CB C 62.9 . 1 336 . 29 SER HB2 H 3.85 . 1 337 . 29 SER HB3 H 3.85 . 1 338 . 30 SER N N 117.1 . 1 339 . 30 SER H H 8.55 . 1 340 . 30 SER C C 177.3 . 1 341 . 30 SER CA C 61.4 . 1 342 . 30 SER HA H 4.27 . 1 343 . 30 SER CB C 61.4 . 1 344 . 30 SER HB2 H 4.08 . 2 345 . 30 SER HB3 H 4.02 . 2 346 . 31 TRP N N 124.2 . 1 347 . 31 TRP H H 8.66 . 1 348 . 31 TRP C C 177.7 . 1 349 . 31 TRP CA C 62.4 . 1 350 . 31 TRP HA H 4.13 . 1 351 . 31 TRP CB C 27.7 . 1 352 . 31 TRP HB2 H 3.46 . 1 353 . 31 TRP HB3 H 3.67 . 1 354 . 31 TRP CD1 C 126.4 . 1 355 . 31 TRP HD1 H 7.33 . 1 356 . 31 TRP CE3 C 119.9 . 1 357 . 31 TRP HE3 H 7.61 . 1 358 . 31 TRP CZ2 C 113.9 . 1 359 . 31 TRP HZ2 H 6.97 . 1 360 . 31 TRP CZ3 C 120.5 . 1 361 . 31 TRP HZ3 H 6.92 . 1 362 . 31 TRP HH2 H 6.43 . 1 363 . 31 TRP NE1 N 129.3 . 1 364 . 31 TRP HE1 H 10.1 . 1 365 . 32 TYR N N 121.9 . 1 366 . 32 TYR H H 8.4 . 1 367 . 32 TYR C C 176.3 . 1 368 . 32 TYR CA C 61.8 . 1 369 . 32 TYR HA H 3.67 . 1 370 . 32 TYR CB C 38.9 . 1 371 . 32 TYR HB2 H 3.31 . 1 372 . 32 TYR HB3 H 3.31 . 1 373 . 32 TYR CD1 C 132.4 . 1 374 . 32 TYR CD2 C 132.4 . 1 375 . 32 TYR HD1 H 7.01 . 1 376 . 32 TYR HD2 H 7.01 . 1 377 . 32 TYR CE1 C 117.5 . 1 378 . 32 TYR CE2 C 117.5 . 1 379 . 32 TYR HE1 H 6.68 . 1 380 . 32 TYR HE2 H 6.68 . 1 381 . 33 GLN N N 115.8 . 1 382 . 33 GLN H H 8.37 . 1 383 . 33 GLN C C 179.3 . 1 384 . 33 GLN CA C 58.5 . 1 385 . 33 GLN HA H 3.83 . 1 386 . 33 GLN CB C 28.2 . 1 387 . 33 GLN HB2 H 2.13 . 1 388 . 33 GLN HB3 H 2.13 . 1 389 . 33 GLN CG C 34.2 . 1 390 . 33 GLN HG2 H 2.78 . 2 391 . 33 GLN HG3 H 2.55 . 2 392 . 33 GLN CD C 179.7 . 1 393 . 33 GLN NE2 N 111.6 . 1 394 . 33 GLN HE21 H 7.37 . 2 395 . 33 GLN HE22 H 6.87 . 2 396 . 34 SER N N 116.1 . 1 397 . 34 SER H H 7.99 . 1 398 . 34 SER C C 175.5 . 1 399 . 34 SER CA C 61.5 . 1 400 . 34 SER HA H 4.1 . 1 401 . 34 SER CB C 62.1 . 1 402 . 34 SER HB2 H 3.93 . 2 403 . 34 SER HB3 H 3.87 . 2 404 . 35 PHE N N 126.5 . 1 405 . 35 PHE H H 8.23 . 1 406 . 35 PHE C C 176.6 . 1 407 . 35 PHE CA C 60.8 . 1 408 . 35 PHE HA H 3.77 . 1 409 . 35 PHE CB C 37.6 . 1 410 . 35 PHE HB2 H 1.87 . 1 411 . 35 PHE HB3 H 2.35 . 1 412 . 35 PHE CD1 C 131.6 . 1 413 . 35 PHE CD2 C 131.6 . 1 414 . 35 PHE HD1 H 6.68 . 1 415 . 35 PHE HD2 H 6.68 . 1 416 . 35 PHE CE1 C 128.5 . 1 417 . 35 PHE CE2 C 128.5 . 1 418 . 35 PHE HE1 H 6.97 . 1 419 . 35 PHE HE2 H 6.97 . 1 420 . 35 PHE CZ C 130.2 . 1 421 . 35 PHE HZ H 7.01 . 1 422 . 36 LEU N N 117.5 . 1 423 . 36 LEU H H 7.59 . 1 424 . 36 LEU C C 179.2 . 1 425 . 36 LEU CA C 56.1 . 1 426 . 36 LEU HA H 3.64 . 1 427 . 36 LEU CB C 41.4 . 1 428 . 36 LEU HB2 H 1.52 . 1 429 . 36 LEU HB3 H 1.27 . 1 430 . 36 LEU HG H 1.39 . 1 431 . 36 LEU CD1 C 25.00 . 1 432 . 36 LEU HD1 H 0.72 . 1 433 . 36 LEU CD2 C 22.1 . 1 434 . 36 LEU HD2 H 0.77 . 1 435 . 37 LYS N N 117.00 . 1 436 . 37 LYS H H 7.09 . 1 437 . 37 LYS C C 177.9 . 1 438 . 37 LYS CA C 57.9 . 1 439 . 37 LYS HA H 3.96 . 1 440 . 37 LYS CB C 32.1 . 1 441 . 37 LYS HB2 H 1.84 . 1 442 . 37 LYS HB3 H 1.84 . 1 443 . 37 LYS CG C 25.1 . 1 444 . 37 LYS HG2 H 1.51 . 2 445 . 37 LYS HG3 H 1.38 . 2 446 . 37 LYS HD2 H 1.64 . 1 447 . 37 LYS HD3 H 1.64 . 1 448 . 37 LYS HE2 H 2.95 . 1 449 . 37 LYS HE3 H 2.95 . 1 450 . 38 GLU N N 117.7 . 1 451 . 38 GLU H H 7.42 . 1 452 . 38 GLU C C 176.00 . 1 453 . 38 GLU CA C 56.6 . 1 454 . 38 GLU HA H 4.1 . 1 455 . 38 GLU CB C 29.7 . 1 456 . 38 GLU HB2 H 1.82 . 1 457 . 38 GLU HB3 H 1.98 . 1 458 . 38 GLU CG C 36.1 . 1 459 . 38 GLU HG2 H 2.26 . 2 460 . 38 GLU HG3 H 2.21 . 2 461 . 39 CYS N N 120.7 . 1 462 . 39 CYS H H 7.79 . 1 463 . 39 CYS C C 172.00 . 1 464 . 39 CYS CA C 55.3 . 1 465 . 39 CYS HA H 4.66 . 1 466 . 39 CYS CB C 25.5 . 1 467 . 39 CYS HB2 H 3.04 . 2 468 . 39 CYS HB3 H 2.1 . 2 469 . 40 PRO C C 178.5 . 1 470 . 40 PRO CA C 64.8 . 1 471 . 40 PRO HA H 4.44 . 1 472 . 40 PRO CB C 31.2 . 1 473 . 40 PRO HB2 H 2.31 . 2 474 . 40 PRO HB3 H 1.93 . 2 475 . 40 PRO CG C 27.2 . 1 476 . 40 PRO HG2 H 1.94 . 1 477 . 40 PRO HG3 H 1.94 . 1 478 . 40 PRO CD C 50.7 . 1 479 . 40 PRO HD2 H 3.7 . 2 480 . 40 PRO HD3 H 3.37 . 2 481 . 41 SER N N 113.1 . 1 482 . 41 SER H H 8.5 . 1 483 . 41 SER C C 175.8 . 1 484 . 41 SER CA C 59.00 . 1 485 . 41 SER HA H 4.37 . 1 486 . 41 SER CB C 63.5 . 1 487 . 41 SER HB2 H 4.04 . 1 488 . 41 SER HB3 H 4.04 . 1 489 . 42 GLY N N 111.00 . 1 490 . 42 GLY H H 8.21 . 1 491 . 42 GLY C C 172.3 . 1 492 . 42 GLY CA C 45.8 . 1 493 . 42 GLY HA2 H 4.42 . 2 494 . 42 GLY HA3 H 3.82 . 2 495 . 43 ARG N N 120.8 . 1 496 . 43 ARG H H 7.73 . 1 497 . 43 ARG C C 175.1 . 1 498 . 43 ARG CA C 55.1 . 1 499 . 43 ARG HA H 5.35 . 1 500 . 43 ARG CB C 31.1 . 1 501 . 43 ARG HB2 H 1.74 . 2 502 . 43 ARG HB3 H 1.61 . 2 503 . 43 ARG CG C 27.7 . 1 504 . 43 ARG HG2 H 1.67 . 2 505 . 43 ARG HG3 H 1.41 . 2 506 . 43 ARG CD C 43.00 . 1 507 . 43 ARG HD2 H 3.25 . 2 508 . 43 ARG HD3 H 3.15 . 2 509 . 44 ILE N N 116.7 . 1 510 . 44 ILE H H 8.84 . 1 511 . 44 ILE C C 175.1 . 1 512 . 44 ILE CA C 58.4 . 1 513 . 44 ILE HA H 5.12 . 1 514 . 44 ILE CB C 41.9 . 1 515 . 44 ILE HB H 2.27 . 1 516 . 44 ILE CG1 C 25.5 . 1 517 . 44 ILE HG12 H 1.79 . 2 518 . 44 ILE HG13 H 1.41 . 2 519 . 44 ILE CG2 C 18.4 . 1 520 . 44 ILE HG2 H 1.13 . 1 521 . 44 ILE CD1 C 15.2 . 1 522 . 44 ILE HD1 H 0.94 . 1 523 . 45 THR N N 112.1 . 1 524 . 45 THR H H 8.93 . 1 525 . 45 THR C C 175.9 . 1 526 . 45 THR CA C 60.4 . 1 527 . 45 THR HA H 4.87 . 1 528 . 45 THR CB C 71.6 . 1 529 . 45 THR HB H 4.89 . 1 530 . 45 THR CG2 C 21.8 . 1 531 . 45 THR HG2 H 1.41 . 1 532 . 46 ARG N N 120.3 . 1 533 . 46 ARG H H 8.44 . 1 534 . 46 ARG C C 178.00 . 1 535 . 46 ARG CA C 59.6 . 1 536 . 46 ARG HA H 3.93 . 1 537 . 46 ARG CB C 29.5 . 1 538 . 46 ARG HB2 H 1.76 . 2 539 . 46 ARG HB3 H 1.61 . 2 540 . 47 GLN N N 118.9 . 1 541 . 47 GLN H H 8.48 . 1 542 . 47 GLN C C 178.00 . 1 543 . 47 GLN CA C 59.1 . 1 544 . 47 GLN HA H 4.1 . 1 545 . 47 GLN CB C 27.7 . 1 546 . 47 GLN HB2 H 2.16 . 2 547 . 47 GLN HB3 H 2.04 . 2 548 . 47 GLN CG C 34.1 . 1 549 . 47 GLN HG2 H 2.51 . 2 550 . 47 GLN HG3 H 2.43 . 2 551 . 47 GLN CD C 180.2 . 1 552 . 47 GLN NE2 N 112.00 . 1 553 . 47 GLN HE21 H 7.52 . 2 554 . 47 GLN HE22 H 6.89 . 2 555 . 48 GLU N N 121.7 . 1 556 . 48 GLU H H 7.85 . 1 557 . 48 GLU C C 179.00 . 1 558 . 48 GLU CA C 58.9 . 1 559 . 48 GLU HA H 4.09 . 1 560 . 48 GLU CB C 29.7 . 1 561 . 48 GLU HB2 H 2.18 . 2 562 . 48 GLU HB3 H 2.01 . 2 563 . 48 GLU HG2 H 2.46 . 1 564 . 48 GLU HG3 H 2.46 . 1 565 . 49 PHE N N 120.1 . 1 566 . 49 PHE H H 8.81 . 1 567 . 49 PHE C C 176.00 . 1 568 . 49 PHE CA C 62.00 . 1 569 . 49 PHE HA H 3.84 . 1 570 . 49 PHE CB C 38.5 . 1 571 . 49 PHE HB2 H 2.96 . 1 572 . 49 PHE HB3 H 3.25 . 1 573 . 49 PHE HD1 H 6.59 . 1 574 . 49 PHE HD2 H 6.59 . 1 575 . 49 PHE HE1 H 6.36 . 1 576 . 49 PHE HE2 H 6.36 . 1 577 . 49 PHE HZ H 6.8 . 1 578 . 50 GLN N N 117.6 . 1 579 . 50 GLN H H 8.13 . 1 580 . 50 GLN C C 178.4 . 1 581 . 50 GLN CA C 58.5 . 1 582 . 50 GLN HA H 3.85 . 1 583 . 50 GLN CB C 27.4 . 1 584 . 50 GLN HB2 H 2.2 . 1 585 . 50 GLN HB3 H 2.2 . 1 586 . 50 GLN CG C 33.9 . 1 587 . 50 GLN HG2 H 2.57 . 2 588 . 50 GLN HG3 H 2.43 . 2 589 . 50 GLN CD C 179.1 . 1 590 . 50 GLN NE2 N 111.00 . 1 591 . 50 GLN HE21 H 7.02 . 2 592 . 50 GLN HE22 H 6.79 . 2 593 . 51 THR N N 117.00 . 1 594 . 51 THR H H 7.79 . 1 595 . 51 THR C C 176.2 . 1 596 . 51 THR CA C 66.2 . 1 597 . 51 THR HA H 3.92 . 1 598 . 51 THR CB C 68.4 . 1 599 . 51 THR HB H 4.35 . 1 600 . 51 THR CG2 C 21.8 . 1 601 . 51 THR HG2 H 1.25 . 1 602 . 52 ILE N N 123.6 . 1 603 . 52 ILE H H 7.82 . 1 604 . 52 ILE C C 177.00 . 1 605 . 52 ILE CA C 65.00 . 1 606 . 52 ILE HA H 3.5 . 1 607 . 52 ILE CB C 38.00 . 1 608 . 52 ILE HB H 1.62 . 1 609 . 52 ILE CG1 C 29.00 . 1 610 . 52 ILE HG12 H 1.72 . 2 611 . 52 ILE HG13 H 1.05 . 2 612 . 52 ILE CG2 C 18.00 . 1 613 . 52 ILE HG2 H 0.73 . 1 614 . 52 ILE CD1 C 13.7 . 1 615 . 52 ILE HD1 H 0.62 . 1 616 . 53 TYR N N 121.7 . 1 617 . 53 TYR H H 8.77 . 1 618 . 53 TYR C C 177.00 . 1 619 . 53 TYR CA C 62.4 . 1 620 . 53 TYR HA H 3.71 . 1 621 . 53 TYR CB C 38.00 . 1 622 . 53 TYR HB2 H 2.27 . 1 623 . 53 TYR HB3 H 2.8 . 1 624 . 53 TYR CD1 C 132.8 . 1 625 . 53 TYR CD2 C 132.8 . 1 626 . 53 TYR HD1 H 6.84 . 1 627 . 53 TYR HD2 H 6.84 . 1 628 . 53 TYR CE1 C 118.3 . 1 629 . 53 TYR CE2 C 118.3 . 1 630 . 53 TYR HE1 H 6.51 . 1 631 . 53 TYR HE2 H 6.51 . 1 632 . 54 SER N N 111.3 . 1 633 . 54 SER H H 7.83 . 1 634 . 54 SER C C 174.7 . 1 635 . 54 SER CA C 60.6 . 1 636 . 54 SER HA H 4.18 . 1 637 . 54 SER CB C 63.00 . 1 638 . 54 SER HB2 H 4.00 . 1 639 . 54 SER HB3 H 4.00 . 1 640 . 55 LYS N N 121.2 . 1 641 . 55 LYS H H 7.28 . 1 642 . 55 LYS C C 177.2 . 1 643 . 55 LYS CA C 57.8 . 1 644 . 55 LYS HA H 3.88 . 1 645 . 55 LYS CB C 31.5 . 1 646 . 55 LYS HB2 H 1.62 . 2 647 . 55 LYS HB3 H 1.48 . 2 648 . 55 LYS CG C 24.2 . 1 649 . 55 LYS HG2 H 1.19 . 2 650 . 55 LYS HG3 H 0.53 . 2 651 . 55 LYS CD C 28.8 . 1 652 . 55 LYS HD2 H 1.26 . 2 653 . 55 LYS HD3 H 1.06 . 2 654 . 55 LYS CE C 41.7 . 1 655 . 55 LYS HE2 H 2.57 . 2 656 . 55 LYS HE3 H 2.41 . 2 657 . 56 PHE N N 115.6 . 1 658 . 56 PHE H H 7.07 . 1 659 . 56 PHE C C 174.8 . 1 660 . 56 PHE CA C 60.2 . 1 661 . 56 PHE HA H 3.89 . 1 662 . 56 PHE CB C 39.5 . 1 663 . 56 PHE HB2 H 1.95 . 1 664 . 56 PHE HB3 H 1.78 . 1 665 . 56 PHE CD1 C 130.4 . 1 666 . 56 PHE CD2 C 130.4 . 1 667 . 56 PHE HD1 H 6.5 . 1 668 . 56 PHE HD2 H 6.5 . 1 669 . 56 PHE CE1 C 129.7 . 1 670 . 56 PHE CE2 C 129.7 . 1 671 . 56 PHE HE1 H 5.76 . 1 672 . 56 PHE HE2 H 5.76 . 1 673 . 56 PHE HZ H 5.54 . 1 674 . 57 PHE N N 117.2 . 1 675 . 57 PHE H H 8.11 . 1 676 . 57 PHE C C 173.4 . 1 677 . 57 PHE CA C 53.8 . 1 678 . 57 PHE HA H 5.15 . 1 679 . 57 PHE CB C 38.2 . 1 680 . 57 PHE HB2 H 2.23 . 1 681 . 57 PHE HB3 H 2.83 . 1 682 . 57 PHE CD1 C 133.1 . 1 683 . 57 PHE CD2 C 133.1 . 1 684 . 57 PHE HD1 H 6.71 . 1 685 . 57 PHE HD2 H 6.71 . 1 686 . 57 PHE CE1 C 129.8 . 1 687 . 57 PHE CE2 C 129.8 . 1 688 . 57 PHE HE1 H 6.88 . 1 689 . 57 PHE HE2 H 6.88 . 1 690 . 57 PHE CZ C 130.3 . 1 691 . 57 PHE HZ H 6.83 . 1 692 . 58 PRO C C 177.7 . 1 693 . 58 PRO CA C 64.1 . 1 694 . 58 PRO HA H 4.52 . 1 695 . 58 PRO CB C 31.8 . 1 696 . 58 PRO HB2 H 2.39 . 2 697 . 58 PRO HB3 H 1.99 . 2 698 . 58 PRO CD C 50.3 . 1 699 . 58 PRO HD2 H 3.71 . 2 700 . 58 PRO HD3 H 3.38 . 2 701 . 59 GLU N N 117.9 . 1 702 . 59 GLU H H 8.47 . 1 703 . 59 GLU C C 175.9 . 1 704 . 59 GLU CA C 55.6 . 1 705 . 59 GLU HA H 4.41 . 1 706 . 59 GLU CB C 29.2 . 1 707 . 59 GLU HB2 H 1.95 . 1 708 . 59 GLU HB3 H 2.24 . 1 709 . 59 GLU CG C 36.1 . 1 710 . 59 GLU HG2 H 2.19 . 1 711 . 59 GLU HG3 H 2.19 . 1 712 . 60 ALA N N 123.9 . 1 713 . 60 ALA H H 7.7 . 1 714 . 60 ALA C C 176.6 . 1 715 . 60 ALA CA C 51.8 . 1 716 . 60 ALA HA H 4.35 . 1 717 . 60 ALA CB C 19.4 . 1 718 . 60 ALA HB H 1.49 . 1 719 . 61 ASP N N 122.5 . 1 720 . 61 ASP H H 8.34 . 1 721 . 61 ASP C C 175.9 . 1 722 . 61 ASP CA C 51.5 . 1 723 . 61 ASP HA H 4.95 . 1 724 . 61 ASP CB C 41.9 . 1 725 . 61 ASP HB2 H 2.74 . 1 726 . 61 ASP HB3 H 2.83 . 1 727 . 62 PRO C C 177.3 . 1 728 . 62 PRO CA C 64.2 . 1 729 . 62 PRO HA H 4.37 . 1 730 . 62 PRO CB C 32.2 . 1 731 . 62 PRO HB2 H 2.39 . 2 732 . 62 PRO HB3 H 1.94 . 2 733 . 62 PRO HG2 H 2.08 . 1 734 . 62 PRO HG3 H 2.08 . 1 735 . 62 PRO CD C 51.00 . 1 736 . 62 PRO HD2 H 4.02 . 2 737 . 62 PRO HD3 H 3.96 . 2 738 . 63 LYS N N 117.8 . 1 739 . 63 LYS H H 8.36 . 1 740 . 63 LYS C C 176.9 . 1 741 . 63 LYS CA C 56.5 . 1 742 . 63 LYS HA H 4.24 . 1 743 . 63 LYS CB C 31.3 . 1 744 . 63 LYS HB2 H 1.94 . 2 745 . 63 LYS HB3 H 1.85 . 2 746 . 63 LYS HG2 H 1.41 . 1 747 . 63 LYS HG3 H 1.41 . 1 748 . 64 ALA N N 122.9 . 1 749 . 64 ALA H H 7.67 . 1 750 . 64 ALA C C 179.4 . 1 751 . 64 ALA CA C 52.9 . 1 752 . 64 ALA HA H 4.23 . 1 753 . 64 ALA CB C 18.6 . 1 754 . 64 ALA HB H 1.56 . 1 755 . 65 TYR N N 122.6 . 1 756 . 65 TYR H H 8.23 . 1 757 . 65 TYR C C 176.8 . 1 758 . 65 TYR CA C 61.6 . 1 759 . 65 TYR HA H 4.31 . 1 760 . 65 TYR CB C 38.00 . 1 761 . 65 TYR HB2 H 3.22 . 2 762 . 65 TYR HB3 H 2.64 . 2 763 . 65 TYR CD1 C 132.5 . 1 764 . 65 TYR CD2 C 132.5 . 1 765 . 65 TYR HD1 H 6.9 . 1 766 . 65 TYR HD2 H 6.9 . 1 767 . 65 TYR CE1 C 117.7 . 1 768 . 65 TYR CE2 C 117.7 . 1 769 . 65 TYR HE1 H 6.63 . 1 770 . 65 TYR HE2 H 6.63 . 1 771 . 66 ALA N N 118.7 . 1 772 . 66 ALA H H 8.29 . 1 773 . 66 ALA C C 180.2 . 1 774 . 66 ALA CA C 54.5 . 1 775 . 66 ALA HA H 3.91 . 1 776 . 66 ALA CB C 18.2 . 1 777 . 66 ALA HB H 1.42 . 1 778 . 67 GLN N N 117.9 . 1 779 . 67 GLN H H 7.64 . 1 780 . 67 GLN C C 177.2 . 1 781 . 67 GLN CA C 58.00 . 1 782 . 67 GLN HA H 4.13 . 1 783 . 67 GLN CB C 27.7 . 1 784 . 67 GLN HB2 H 2.16 . 1 785 . 67 GLN HB3 H 2.16 . 1 786 . 67 GLN HG2 H 2.37 . 1 787 . 67 GLN HG3 H 2.37 . 1 788 . 68 HIS N N 121.5 . 1 789 . 68 HIS H H 7.65 . 1 790 . 68 HIS C C 177.9 . 1 791 . 68 HIS CA C 59.4 . 1 792 . 68 HIS HA H 4.32 . 1 793 . 68 HIS CB C 30.00 . 1 794 . 68 HIS HB2 H 3.19 . 2 795 . 68 HIS HB3 H 3.12 . 2 796 . 68 HIS HD2 H 6.69 . 1 797 . 68 HIS CE1 C 138.6 . 1 798 . 68 HIS HE1 H 7.73 . 1 799 . 69 VAL N N 119.4 . 1 800 . 69 VAL H H 7.97 . 1 801 . 69 VAL C C 177.3 . 1 802 . 69 VAL CA C 65.9 . 1 803 . 69 VAL HA H 3.44 . 1 804 . 69 VAL CB C 31.5 . 1 805 . 69 VAL HB H 1.73 . 1 806 . 69 VAL CG1 C 22.2 . 1 807 . 69 VAL HG1 H 0.6 . 1 808 . 69 VAL CG2 C 22.7 . 1 809 . 69 VAL HG2 H 0.51 . 1 810 . 70 PHE N N 119.4 . 1 811 . 70 PHE H H 7.68 . 1 812 . 70 PHE C C 176.3 . 1 813 . 70 PHE CA C 61.2 . 1 814 . 70 PHE HA H 3.97 . 1 815 . 70 PHE CB C 38.00 . 1 816 . 70 PHE HB2 H 2.28 . 2 817 . 70 PHE HB3 H 2.2 . 2 818 . 70 PHE HD1 H 6.58 . 1 819 . 70 PHE HD2 H 6.58 . 1 820 . 70 PHE HE1 H 6.89 . 1 821 . 70 PHE HE2 H 6.89 . 1 822 . 70 PHE HZ H 6.94 . 1 823 . 71 ARG N N 118.9 . 1 824 . 71 ARG H H 8.16 . 1 825 . 71 ARG C C 178.2 . 1 826 . 71 ARG CA C 58.7 . 1 827 . 71 ARG HA H 3.85 . 1 828 . 71 ARG CB C 29.7 . 1 829 . 71 ARG HB2 H 1.93 . 1 830 . 71 ARG HB3 H 1.93 . 1 831 . 72 SER N N 114.9 . 1 832 . 72 SER H H 7.66 . 1 833 . 72 SER C C 174.8 . 1 834 . 72 SER CA C 61.00 . 1 835 . 72 SER HA H 4.22 . 1 836 . 72 SER CB C 63.1 . 1 837 . 72 SER HB2 H 3.85 . 1 838 . 72 SER HB3 H 3.74 . 1 839 . 73 PHE N N 120.8 . 1 840 . 73 PHE H H 7.84 . 1 841 . 73 PHE C C 176.6 . 1 842 . 73 PHE CA C 59.9 . 1 843 . 73 PHE HA H 4.23 . 1 844 . 73 PHE CB C 39.2 . 1 845 . 73 PHE HB2 H 2.97 . 1 846 . 73 PHE HB3 H 2.97 . 1 847 . 73 PHE CD1 C 131.3 . 1 848 . 73 PHE CD2 C 131.3 . 1 849 . 73 PHE HD1 H 7.41 . 1 850 . 73 PHE HD2 H 7.41 . 1 851 . 73 PHE CE1 C 131.3 . 1 852 . 73 PHE CE2 C 131.3 . 1 853 . 73 PHE HE1 H 7.24 . 1 854 . 73 PHE HE2 H 7.24 . 1 855 . 73 PHE CZ C 131.2 . 1 856 . 73 PHE HZ H 7.18 . 1 857 . 74 ASP N N 121.2 . 1 858 . 74 ASP H H 8.28 . 1 859 . 74 ASP C C 176.8 . 1 860 . 74 ASP CA C 54.5 . 1 861 . 74 ASP HA H 4.48 . 1 862 . 74 ASP CB C 41.4 . 1 863 . 74 ASP HB2 H 2.35 . 1 864 . 74 ASP HB3 H 1.93 . 1 865 . 75 ALA N N 122.6 . 1 866 . 75 ALA H H 7.75 . 1 867 . 75 ALA C C 177.8 . 1 868 . 75 ALA CA C 53.3 . 1 869 . 75 ALA HA H 4.2 . 1 870 . 75 ALA CB C 18.5 . 1 871 . 75 ALA HB H 1.39 . 1 872 . 76 ASN N N 115.9 . 1 873 . 76 ASN H H 8.22 . 1 874 . 76 ASN C C 175.1 . 1 875 . 76 ASN CA C 52.8 . 1 876 . 76 ASN HA H 4.87 . 1 877 . 76 ASN CB C 38.5 . 1 878 . 76 ASN HB2 H 2.76 . 1 879 . 76 ASN HB3 H 2.97 . 1 880 . 76 ASN CG C 177.1 . 1 881 . 76 ASN ND2 N 113.7 . 1 882 . 76 ASN HD21 H 7.63 . 2 883 . 76 ASN HD22 H 6.92 . 2 884 . 77 SER N N 116.2 . 1 885 . 77 SER H H 8.07 . 1 886 . 77 SER C C 174.2 . 1 887 . 77 SER CA C 58.4 . 1 888 . 77 SER HA H 4.53 . 1 889 . 77 SER CB C 63.9 . 1 890 . 77 SER HB2 H 4.17 . 2 891 . 77 SER HB3 H 4.07 . 2 892 . 78 ASP N N 121.5 . 1 893 . 78 ASP H H 8.61 . 1 894 . 78 ASP C C 177.00 . 1 895 . 78 ASP CA C 53.1 . 1 896 . 78 ASP HA H 4.74 . 1 897 . 78 ASP CB C 40.4 . 1 898 . 78 ASP HB2 H 3.00 . 1 899 . 78 ASP HB3 H 3.00 . 1 900 . 79 GLY N N 108.6 . 1 901 . 79 GLY H H 8.84 . 1 902 . 79 GLY C C 174.1 . 1 903 . 79 GLY CA C 45.2 . 1 904 . 79 GLY HA2 H 4.36 . 2 905 . 79 GLY HA3 H 3.8 . 2 906 . 80 THR N N 111.6 . 1 907 . 80 THR H H 7.9 . 1 908 . 80 THR C C 172.8 . 1 909 . 80 THR CA C 59.7 . 1 910 . 80 THR HA H 5.22 . 1 911 . 80 THR CB C 72.5 . 1 912 . 80 THR HB H 4.04 . 1 913 . 80 THR CG2 C 21.4 . 1 914 . 80 THR HG2 H 1.06 . 1 915 . 81 LEU N N 119.6 . 1 916 . 81 LEU H H 9.18 . 1 917 . 81 LEU C C 177.7 . 1 918 . 81 LEU CA C 53.5 . 1 919 . 81 LEU HA H 4.73 . 1 920 . 81 LEU CB C 45.00 . 1 921 . 81 LEU HB2 H 1.66 . 2 922 . 81 LEU HB3 H 1.56 . 2 923 . 81 LEU HG H 1.5 . 1 924 . 81 LEU CD1 C 24.6 . 1 925 . 81 LEU HD1 H 0.59 . 1 926 . 81 LEU CD2 C 26.00 . 1 927 . 81 LEU HD2 H 0.5 . 1 928 . 82 ASP N N 123.5 . 1 929 . 82 ASP H H 8.9 . 1 930 . 82 ASP C C 175.3 . 1 931 . 82 ASP CA C 53.5 . 1 932 . 82 ASP HA H 4.84 . 1 933 . 82 ASP CB C 40.5 . 1 934 . 82 ASP HB2 H 3.22 . 2 935 . 82 ASP HB3 H 2.54 . 2 936 . 83 PHE N N 129.00 . 1 937 . 83 PHE H H 9.06 . 1 938 . 83 PHE C C 175.9 . 1 939 . 83 PHE CA C 61.5 . 1 940 . 83 PHE HA H 4.28 . 1 941 . 83 PHE CB C 40.5 . 1 942 . 83 PHE HB2 H 3.28 . 1 943 . 83 PHE HB3 H 3.2 . 1 944 . 83 PHE HD1 H 7.08 . 1 945 . 83 PHE HD2 H 7.08 . 1 946 . 83 PHE HE1 H 7.19 . 1 947 . 83 PHE HE2 H 7.19 . 1 948 . 83 PHE HZ H 7.19 . 1 949 . 84 LYS N N 119.3 . 1 950 . 84 LYS H H 8.73 . 1 951 . 84 LYS C C 178.2 . 1 952 . 84 LYS CA C 60.2 . 1 953 . 84 LYS HA H 3.97 . 1 954 . 84 LYS CB C 31.9 . 1 955 . 84 LYS HB2 H 2.06 . 1 956 . 84 LYS HB3 H 2.06 . 1 957 . 84 LYS HG2 H 1.51 . 1 958 . 84 LYS HG3 H 1.51 . 1 959 . 84 LYS HE2 H 2.99 . 1 960 . 84 LYS HE3 H 2.99 . 1 961 . 85 GLU N N 118.1 . 1 962 . 85 GLU H H 8.00 . 1 963 . 85 GLU C C 178.00 . 1 964 . 85 GLU CA C 59.7 . 1 965 . 85 GLU HA H 3.93 . 1 966 . 85 GLU CB C 30.00 . 1 967 . 85 GLU HB2 H 2.28 . 2 968 . 85 GLU HB3 H 2.11 . 2 969 . 85 GLU HG2 H 2.52 . 1 970 . 85 GLU HG3 H 2.52 . 1 971 . 86 TYR N N 119.5 . 1 972 . 86 TYR H H 7.94 . 1 973 . 86 TYR C C 175.9 . 1 974 . 86 TYR CA C 61.7 . 1 975 . 86 TYR HA H 3.45 . 1 976 . 86 TYR CB C 37.2 . 1 977 . 86 TYR HB2 H 3.04 . 1 978 . 86 TYR HB3 H 2.44 . 1 979 . 86 TYR CD1 C 132.5 . 1 980 . 86 TYR CD2 C 132.5 . 1 981 . 86 TYR HD1 H 6.46 . 1 982 . 86 TYR HD2 H 6.46 . 1 983 . 86 TYR CE1 C 117.7 . 1 984 . 86 TYR CE2 C 117.7 . 1 985 . 86 TYR HE1 H 6.64 . 1 986 . 86 TYR HE2 H 6.64 . 1 987 . 87 VAL N N 119.3 . 1 988 . 87 VAL H H 8.45 . 1 989 . 87 VAL C C 179.6 . 1 990 . 87 VAL CA C 67.2 . 1 991 . 87 VAL HA H 3.26 . 1 992 . 87 VAL CB C 31.5 . 1 993 . 87 VAL HB H 2.24 . 1 994 . 87 VAL CG1 C 22.3 . 1 995 . 87 VAL HG1 H 0.99 . 1 996 . 87 VAL CG2 C 24.00 . 1 997 . 87 VAL HG2 H 0.81 . 1 998 . 88 ILE N N 123.6 . 1 999 . 88 ILE H H 8.63 . 1 1000 . 88 ILE C C 177.3 . 1 1001 . 88 ILE CA C 66.1 . 1 1002 . 88 ILE HA H 4.06 . 1 1003 . 88 ILE CB C 38.00 . 1 1004 . 88 ILE HB H 1.98 . 1 1005 . 88 ILE HG12 H 2.11 . 1 1006 . 88 ILE HG13 H 2.11 . 1 1007 . 88 ILE CG2 C 19.00 . 1 1008 . 88 ILE HG2 H 1.13 . 1 1009 . 88 ILE CD1 C 14.3 . 1 1010 . 88 ILE HD1 H 0.95 . 1 1011 . 89 ALA N N 123.6 . 1 1012 . 89 ALA H H 8.66 . 1 1013 . 89 ALA C C 180.00 . 1 1014 . 89 ALA CA C 55.9 . 1 1015 . 89 ALA HA H 3.81 . 1 1016 . 89 ALA CB C 18.1 . 1 1017 . 89 ALA HB H 1.53 . 1 1018 . 90 LEU N N 120.1 . 1 1019 . 90 LEU H H 8.77 . 1 1020 . 90 LEU C C 179.3 . 1 1021 . 90 LEU CA C 57.5 . 1 1022 . 90 LEU HA H 3.72 . 1 1023 . 90 LEU HB2 H 1.61 . 2 1024 . 90 LEU HB3 H 1.19 . 2 1025 . 90 LEU HG H 1.34 . 1 1026 . 90 LEU HD1 H 0.93 . 1 1027 . 90 LEU CD2 C 22.6 . 1 1028 . 90 LEU HD2 H 0.73 . 1 1029 . 91 HIS N N 112.6 . 1 1030 . 91 HIS H H 7.3 . 1 1031 . 91 HIS C C 177.9 . 1 1032 . 91 HIS CA C 60.7 . 1 1033 . 91 HIS HA H 3.6 . 1 1034 . 91 HIS CB C 28.5 . 1 1035 . 91 HIS HB2 H 2.22 . 2 1036 . 91 HIS HB3 H 1.91 . 2 1037 . 91 HIS CD2 C 125.9 . 1 1038 . 91 HIS HD2 H 5.3 . 1 1039 . 91 HIS CE1 C 135.3 . 1 1040 . 91 HIS HE1 H 7.01 . 1 1041 . 92 MET N N 113.1 . 1 1042 . 92 MET H H 8.65 . 1 1043 . 92 MET C C 177.9 . 1 1044 . 92 MET CA C 55.5 . 1 1045 . 92 MET HA H 4.68 . 1 1046 . 92 MET CB C 30.9 . 1 1047 . 92 MET HB2 H 2.81 . 2 1048 . 92 MET HB3 H 2.58 . 2 1049 . 92 MET CG C 33.1 . 1 1050 . 92 MET HG2 H 3.28 . 2 1051 . 92 MET HG3 H 2.81 . 2 1052 . 92 MET CE C 16.3 . 1 1053 . 92 MET HE H 2.18 . 1 1054 . 93 THR N N 108.3 . 1 1055 . 93 THR H H 7.7 . 1 1056 . 93 THR C C 173.6 . 1 1057 . 93 THR CA C 61.5 . 1 1058 . 93 THR HA H 4.81 . 1 1059 . 93 THR CB C 69.3 . 1 1060 . 93 THR HB H 4.5 . 1 1061 . 93 THR CG2 C 21.4 . 1 1062 . 93 THR HG2 H 1.24 . 1 1063 . 94 SER N N 116.3 . 1 1064 . 94 SER H H 6.98 . 1 1065 . 94 SER C C 173.5 . 1 1066 . 94 SER CA C 58.2 . 1 1067 . 94 SER HA H 4.13 . 1 1068 . 94 SER CB C 64.1 . 1 1069 . 94 SER HB2 H 3.89 . 1 1070 . 94 SER HB3 H 3.89 . 1 1071 . 95 ALA N N 124.5 . 1 1072 . 95 ALA H H 8.41 . 1 1073 . 95 ALA C C 177.5 . 1 1074 . 95 ALA CA C 52.00 . 1 1075 . 95 ALA HA H 4.36 . 1 1076 . 95 ALA CB C 18.3 . 1 1077 . 95 ALA HB H 1.34 . 1 1078 . 96 GLY N N 107.8 . 1 1079 . 96 GLY H H 8.16 . 1 1080 . 96 GLY C C 172.7 . 1 1081 . 96 GLY CA C 44.6 . 1 1082 . 96 GLY HA2 H 4.01 . 2 1083 . 96 GLY HA3 H 3.86 . 2 1084 . 97 LYS N N 119.3 . 1 1085 . 97 LYS H H 8.83 . 1 1086 . 97 LYS CA C 56.3 . 1 1087 . 97 LYS HA H 4.26 . 1 1088 . 97 LYS HB2 H 1.97 . 1 1089 . 97 LYS HB3 H 1.97 . 1 1090 . 98 THR C C 175.5 . 1 1091 . 98 THR CA C 67.5 . 1 1092 . 98 THR HA H 3.68 . 1 1093 . 98 THR CB C 68.00 . 1 1094 . 98 THR HB H 4.02 . 1 1095 . 98 THR CG2 C 22.7 . 1 1096 . 98 THR HG2 H 1.17 . 1 1097 . 99 ASN N N 117.4 . 1 1098 . 99 ASN H H 8.81 . 1 1099 . 99 ASN C C 176.4 . 1 1100 . 99 ASN CA C 57.4 . 1 1101 . 99 ASN HA H 4.11 . 1 1102 . 99 ASN CB C 36.5 . 1 1103 . 99 ASN HB2 H 2.77 . 1 1104 . 99 ASN HB3 H 2.77 . 1 1105 . 99 ASN CG C 175.8 . 1 1106 . 99 ASN ND2 N 113.3 . 1 1107 . 99 ASN HD21 H 7.68 . 2 1108 . 99 ASN HD22 H 6.88 . 2 1109 . 100 GLN N N 119.3 . 1 1110 . 100 GLN H H 7.72 . 1 1111 . 100 GLN C C 178.00 . 1 1112 . 100 GLN CA C 59.4 . 1 1113 . 100 GLN HA H 4.22 . 1 1114 . 100 GLN CB C 28.1 . 1 1115 . 100 GLN HB2 H 2.23 . 2 1116 . 100 GLN HB3 H 1.95 . 2 1117 . 100 GLN CG C 35.00 . 1 1118 . 100 GLN HG2 H 2.46 . 1 1119 . 100 GLN HG3 H 2.46 . 1 1120 . 100 GLN CD C 179.1 . 1 1121 . 100 GLN NE2 N 111.6 . 1 1122 . 100 GLN HE21 H 7.69 . 2 1123 . 100 GLN HE22 H 6.94 . 2 1124 . 101 LYS N N 119.9 . 1 1125 . 101 LYS H H 8.16 . 1 1126 . 101 LYS C C 178.1 . 1 1127 . 101 LYS CA C 60.00 . 1 1128 . 101 LYS HA H 4.05 . 1 1129 . 101 LYS CB C 32.00 . 1 1130 . 101 LYS HB2 H 1.69 . 1 1131 . 101 LYS HB3 H 1.69 . 1 1132 . 102 LEU N N 118.00 . 1 1133 . 102 LEU H H 7.86 . 1 1134 . 102 LEU C C 178.3 . 1 1135 . 102 LEU CA C 57.4 . 1 1136 . 102 LEU HA H 4.31 . 1 1137 . 102 LEU HB2 H 2.15 . 1 1138 . 102 LEU HB3 H 1.48 . 1 1139 . 102 LEU HG H 1.95 . 1 1140 . 102 LEU CD1 C 26.3 . 1 1141 . 102 LEU HD1 H 0.83 . 1 1142 . 102 LEU CD2 C 21.5 . 1 1143 . 102 LEU HD2 H 0.67 . 1 1144 . 103 GLU N N 119.9 . 1 1145 . 103 GLU H H 8.28 . 1 1146 . 103 GLU C C 179.3 . 1 1147 . 103 GLU CA C 59.6 . 1 1148 . 103 GLU HA H 4.02 . 1 1149 . 103 GLU CB C 29.9 . 1 1150 . 103 GLU HB2 H 2.22 . 1 1151 . 103 GLU HB3 H 2.22 . 1 1152 . 103 GLU CG C 36.5 . 1 1153 . 103 GLU HG2 H 2.48 . 1 1154 . 103 GLU HG3 H 2.48 . 1 1155 . 104 TRP N N 122.5 . 1 1156 . 104 TRP H H 9.13 . 1 1157 . 104 TRP C C 177.7 . 1 1158 . 104 TRP CA C 62.3 . 1 1159 . 104 TRP HA H 3.86 . 1 1160 . 104 TRP CB C 28.2 . 1 1161 . 104 TRP HB2 H 3.69 . 2 1162 . 104 TRP HB3 H 3.25 . 2 1163 . 104 TRP CD1 C 126.3 . 1 1164 . 104 TRP HD1 H 7.43 . 1 1165 . 104 TRP HE3 H 7.57 . 1 1166 . 104 TRP CZ2 C 111.7 . 1 1167 . 104 TRP HZ2 H 6.13 . 1 1168 . 104 TRP HZ3 H 6.79 . 1 1169 . 104 TRP HH2 H 6.43 . 1 1170 . 104 TRP NE1 N 128.1 . 1 1171 . 104 TRP HE1 H 8.45 . 1 1172 . 105 ALA N N 123.6 . 1 1173 . 105 ALA H H 8.88 . 1 1174 . 105 ALA C C 177.6 . 1 1175 . 105 ALA CA C 55.00 . 1 1176 . 105 ALA HA H 3.48 . 1 1177 . 105 ALA CB C 16.7 . 1 1178 . 105 ALA HB H 1.9 . 1 1179 . 106 PHE N N 115.2 . 1 1180 . 106 PHE H H 8.16 . 1 1181 . 106 PHE C C 177.5 . 1 1182 . 106 PHE CA C 62.00 . 1 1183 . 106 PHE HA H 3.6 . 1 1184 . 106 PHE CB C 39.4 . 1 1185 . 106 PHE HB2 H 3.12 . 1 1186 . 106 PHE HB3 H 3.29 . 1 1187 . 106 PHE HD1 H 6.87 . 1 1188 . 106 PHE HD2 H 6.87 . 1 1189 . 106 PHE HE1 H 6.94 . 1 1190 . 106 PHE HE2 H 6.94 . 1 1191 . 106 PHE HZ H 6.88 . 1 1192 . 107 SER N N 114.3 . 1 1193 . 107 SER H H 8.03 . 1 1194 . 107 SER C C 174.7 . 1 1195 . 107 SER CA C 61.00 . 1 1196 . 107 SER HA H 4.14 . 1 1197 . 107 SER CB C 62.5 . 1 1198 . 107 SER HB2 H 3.95 . 1 1199 . 107 SER HB3 H 3.95 . 1 1200 . 108 LEU N N 123.1 . 1 1201 . 108 LEU H H 7.19 . 1 1202 . 108 LEU CA C 56.1 . 1 1203 . 108 LEU HA H 3.39 . 1 1204 . 108 LEU CB C 41.1 . 1 1205 . 108 LEU HB2 H 1.04 . 2 1206 . 108 LEU HB3 H 0.3 . 2 1207 . 108 LEU CG C 25.9 . 1 1208 . 108 LEU HG H 0.63 . 1 1209 . 108 LEU CD1 C 22.7 . 1 1210 . 108 LEU HD1 H 0.22 . 1 1211 . 108 LEU CD2 C 23.6 . 1 1212 . 108 LEU HD2 H 0.16 . 1 1213 . 109 TYR N N 113.8 . 1 1214 . 109 TYR H H 6.72 . 1 1215 . 109 TYR C C 176.2 . 1 1216 . 109 TYR CA C 58.7 . 1 1217 . 109 TYR HA H 4.21 . 1 1218 . 109 TYR CB C 38.9 . 1 1219 . 109 TYR HB2 H 2.21 . 1 1220 . 109 TYR HB3 H 3.07 . 1 1221 . 109 TYR CD1 C 131.1 . 1 1222 . 109 TYR CD2 C 131.1 . 1 1223 . 109 TYR HD1 H 7.11 . 1 1224 . 109 TYR HD2 H 7.11 . 1 1225 . 109 TYR CE1 C 117.3 . 1 1226 . 109 TYR CE2 C 117.3 . 1 1227 . 109 TYR HE1 H 6.58 . 1 1228 . 109 TYR HE2 H 6.58 . 1 1229 . 110 ASP N N 123.3 . 1 1230 . 110 ASP H H 7.52 . 1 1231 . 110 ASP C C 177.1 . 1 1232 . 110 ASP CA C 52.8 . 1 1233 . 110 ASP HA H 4.95 . 1 1234 . 110 ASP CB C 39.6 . 1 1235 . 110 ASP HB2 H 2.15 . 1 1236 . 110 ASP HB3 H 2.61 . 1 1237 . 111 VAL N N 120.00 . 1 1238 . 111 VAL H H 7.88 . 1 1239 . 111 VAL C C 176.9 . 1 1240 . 111 VAL CA C 63.6 . 1 1241 . 111 VAL HA H 3.91 . 1 1242 . 111 VAL CB C 31.7 . 1 1243 . 111 VAL HB H 2.12 . 1 1244 . 111 VAL CG1 C 21.4 . 1 1245 . 111 VAL HG1 H 0.92 . 1 1246 . 111 VAL CG2 C 20.4 . 1 1247 . 111 VAL HG2 H 0.94 . 1 1248 . 112 ASP N N 119.3 . 1 1249 . 112 ASP H H 8.55 . 1 1250 . 112 ASP C C 176.6 . 1 1251 . 112 ASP CA C 53.7 . 1 1252 . 112 ASP HA H 4.77 . 1 1253 . 112 ASP CB C 41.00 . 1 1254 . 112 ASP HB2 H 2.7 . 1 1255 . 112 ASP HB3 H 2.81 . 1 1256 . 113 GLY N N 108.7 . 1 1257 . 113 GLY H H 7.75 . 1 1258 . 113 GLY C C 175.2 . 1 1259 . 113 GLY CA C 46.3 . 1 1260 . 113 GLY HA2 H 3.97 . 2 1261 . 113 GLY HA3 H 3.89 . 2 1262 . 114 ASN N N 119.1 . 1 1263 . 114 ASN H H 8.67 . 1 1264 . 114 ASN C C 176.7 . 1 1265 . 114 ASN CA C 54.00 . 1 1266 . 114 ASN HA H 4.69 . 1 1267 . 114 ASN CB C 38.9 . 1 1268 . 114 ASN HB2 H 2.89 . 1 1269 . 114 ASN HB3 H 2.89 . 1 1270 . 114 ASN CG C 176.6 . 1 1271 . 114 ASN ND2 N 114.00 . 1 1272 . 114 ASN HD21 H 7.65 . 2 1273 . 114 ASN HD22 H 7.07 . 2 1274 . 115 GLY N N 110.6 . 1 1275 . 115 GLY H H 9.96 . 1 1276 . 115 GLY C C 174.5 . 1 1277 . 115 GLY CA C 46.2 . 1 1278 . 115 GLY HA2 H 4.07 . 1 1279 . 115 GLY HA3 H 4.07 . 1 1280 . 116 THR N N 109.1 . 1 1281 . 116 THR H H 7.48 . 1 1282 . 116 THR C C 172.6 . 1 1283 . 116 THR CA C 59.00 . 1 1284 . 116 THR HA H 5.6 . 1 1285 . 116 THR CB C 72.6 . 1 1286 . 116 THR HB H 4.02 . 1 1287 . 116 THR CG2 C 21.6 . 1 1288 . 116 THR HG2 H 1.02 . 1 1289 . 117 ILE N N 117.00 . 1 1290 . 117 ILE H H 8.88 . 1 1291 . 117 ILE C C 172.9 . 1 1292 . 117 ILE CA C 59.9 . 1 1293 . 117 ILE HA H 4.59 . 1 1294 . 117 ILE CB C 41.2 . 1 1295 . 117 ILE HB H 1.39 . 1 1296 . 117 ILE CG1 C 27.5 . 1 1297 . 117 ILE HG12 H 1.27 . 2 1298 . 117 ILE HG13 H 0.98 . 2 1299 . 117 ILE CG2 C 15.8 . 1 1300 . 117 ILE HG2 H 0.37 . 1 1301 . 117 ILE CD1 C 12.6 . 1 1302 . 117 ILE HD1 H 0.05 . 1 1303 . 118 SER N N 121.4 . 1 1304 . 118 SER H H 8.8 . 1 1305 . 118 SER C C 174.1 . 1 1306 . 118 SER CA C 56.6 . 1 1307 . 118 SER HA H 5.02 . 1 1308 . 118 SER CB C 66.7 . 1 1309 . 118 SER HB2 H 4.23 . 2 1310 . 118 SER HB3 H 3.82 . 2 1311 . 119 LYS N N 124.2 . 1 1312 . 119 LYS H H 8.58 . 1 1313 . 119 LYS C C 177.5 . 1 1314 . 119 LYS CA C 59.4 . 1 1315 . 119 LYS HA H 2.64 . 1 1316 . 119 LYS CB C 31.3 . 1 1317 . 119 LYS HB2 H 0.16 . 1 1318 . 119 LYS HB3 H 1.04 . 1 1319 . 119 LYS HG2 H 0.75 . 2 1320 . 119 LYS HG3 H -0.02 . 2 1321 . 119 LYS CD C 29.2 . 1 1322 . 119 LYS HD2 H 1.02 . 2 1323 . 119 LYS HD3 H 0.83 . 2 1324 . 119 LYS CE C 41.3 . 1 1325 . 119 LYS HE2 H 2.43 . 2 1326 . 119 LYS HE3 H 2.31 . 2 1327 . 120 ASN N N 114.9 . 1 1328 . 120 ASN H H 8.04 . 1 1329 . 120 ASN C C 177.1 . 1 1330 . 120 ASN CA C 55.6 . 1 1331 . 120 ASN HA H 4.16 . 1 1332 . 120 ASN CB C 37.2 . 1 1333 . 120 ASN HB2 H 2.52 . 1 1334 . 120 ASN HB3 H 2.52 . 1 1335 . 120 ASN CG C 175.9 . 1 1336 . 120 ASN ND2 N 113.4 . 1 1337 . 120 ASN HD21 H 7.57 . 2 1338 . 120 ASN HD22 H 6.93 . 2 1339 . 121 GLU N N 122.00 . 1 1340 . 121 GLU H H 7.14 . 1 1341 . 121 GLU C C 177.3 . 1 1342 . 121 GLU CA C 59.5 . 1 1343 . 121 GLU HA H 3.53 . 1 1344 . 121 GLU CB C 27.6 . 1 1345 . 121 GLU HB2 H 0.63 . 1 1346 . 121 GLU HB3 H 0.63 . 1 1347 . 121 GLU CG C 38.2 . 1 1348 . 121 GLU HG2 H 1.98 . 2 1349 . 121 GLU HG3 H 1.84 . 2 1350 . 122 VAL N N 119.00 . 1 1351 . 122 VAL H H 7.45 . 1 1352 . 122 VAL C C 177.7 . 1 1353 . 122 VAL CA C 67.1 . 1 1354 . 122 VAL HA H 3.48 . 1 1355 . 122 VAL CB C 30.6 . 1 1356 . 122 VAL HB H 2.27 . 1 1357 . 122 VAL CG1 C 21.4 . 1 1358 . 122 VAL HG1 H 1.13 . 1 1359 . 122 VAL CG2 C 24.00 . 1 1360 . 122 VAL HG2 H 1.15 . 1 1361 . 123 LEU N N 119.6 . 1 1362 . 123 LEU H H 8.41 . 1 1363 . 123 LEU C C 179.2 . 1 1364 . 123 LEU CA C 57.7 . 1 1365 . 123 LEU HA H 3.92 . 1 1366 . 123 LEU HB2 H 1.27 . 1 1367 . 123 LEU HB3 H 2.03 . 1 1368 . 123 LEU HG H 1.38 . 1 1369 . 123 LEU CD1 C 23.00 . 1 1370 . 123 LEU HD1 H 0.71 . 1 1371 . 123 LEU CD2 C 25.3 . 1 1372 . 123 LEU HD2 H 0.85 . 1 1373 . 124 GLU N N 124.4 . 1 1374 . 124 GLU H H 7.78 . 1 1375 . 124 GLU C C 178.8 . 1 1376 . 124 GLU CA C 60.6 . 1 1377 . 124 GLU HA H 4.00 . 1 1378 . 124 GLU CB C 29.00 . 1 1379 . 124 GLU HB2 H 2.23 . 1 1380 . 124 GLU HB3 H 2.31 . 1 1381 . 124 GLU CG C 36.8 . 1 1382 . 124 GLU HG2 H 2.58 . 1 1383 . 124 GLU HG3 H 2.58 . 1 1384 . 125 ILE N N 120.6 . 1 1385 . 125 ILE H H 7.74 . 1 1386 . 125 ILE C C 177.2 . 1 1387 . 125 ILE CA C 65.7 . 1 1388 . 125 ILE HA H 3.83 . 1 1389 . 125 ILE CB C 38.3 . 1 1390 . 125 ILE HB H 2.15 . 1 1391 . 125 ILE CG1 C 28.5 . 1 1392 . 125 ILE HG12 H 1.21 . 1 1393 . 125 ILE HG13 H 1.21 . 1 1394 . 125 ILE CG2 C 17.3 . 1 1395 . 125 ILE HG2 H 1.07 . 1 1396 . 125 ILE CD1 C 13.9 . 1 1397 . 125 ILE HD1 H 0.87 . 1 1398 . 126 VAL N N 116.5 . 1 1399 . 126 VAL H H 8.59 . 1 1400 . 126 VAL C C 178.5 . 1 1401 . 126 VAL CA C 65.9 . 1 1402 . 126 VAL HA H 3.76 . 1 1403 . 126 VAL CB C 31.8 . 1 1404 . 126 VAL HB H 2.29 . 1 1405 . 126 VAL CG1 C 22.9 . 1 1406 . 126 VAL HG1 H 1.18 . 1 1407 . 126 VAL CG2 C 23.4 . 1 1408 . 126 VAL HG2 H 1.11 . 1 1409 . 127 THR N N 119.1 . 1 1410 . 127 THR H H 8.76 . 1 1411 . 127 THR C C 174.4 . 1 1412 . 127 THR CA C 68.1 . 1 1413 . 127 THR HA H 3.73 . 1 1414 . 127 THR CB C 68.7 . 1 1415 . 127 THR HB H 4.43 . 1 1416 . 127 THR CG2 C 21.00 . 1 1417 . 127 THR HG2 H 1.3 . 1 1418 . 128 ALA N N 123.7 . 1 1419 . 128 ALA H H 7.77 . 1 1420 . 128 ALA C C 178.2 . 1 1421 . 128 ALA CA C 55.5 . 1 1422 . 128 ALA HA H 4.08 . 1 1423 . 128 ALA CB C 18.8 . 1 1424 . 128 ALA HB H 1.82 . 1 1425 . 129 ILE N N 112.9 . 1 1426 . 129 ILE H H 7.55 . 1 1427 . 129 ILE C C 177.9 . 1 1428 . 129 ILE CA C 63.8 . 1 1429 . 129 ILE HA H 3.61 . 1 1430 . 129 ILE CB C 37.7 . 1 1431 . 129 ILE HB H 1.91 . 1 1432 . 129 ILE HG12 H 1.74 . 2 1433 . 129 ILE HG13 H 1.24 . 2 1434 . 129 ILE CG2 C 18.00 . 1 1435 . 129 ILE HG2 H 0.85 . 1 1436 . 129 ILE CD1 C 13.5 . 1 1437 . 129 ILE HD1 H 0.85 . 1 1438 . 130 PHE N N 121.8 . 1 1439 . 130 PHE H H 8.4 . 1 1440 . 130 PHE C C 177.6 . 1 1441 . 130 PHE CA C 60.5 . 1 1442 . 130 PHE HA H 3.91 . 1 1443 . 130 PHE CB C 40.1 . 1 1444 . 130 PHE HB2 H 3.24 . 1 1445 . 130 PHE HB3 H 3.24 . 1 1446 . 130 PHE CD1 C 131.7 . 1 1447 . 130 PHE CD2 C 131.7 . 1 1448 . 130 PHE HD1 H 7.06 . 1 1449 . 130 PHE HD2 H 7.06 . 1 1450 . 130 PHE HE1 H 7.14 . 1 1451 . 130 PHE HE2 H 7.14 . 1 1452 . 131 LYS N N 116.3 . 1 1453 . 131 LYS H H 7.6 . 1 1454 . 131 LYS C C 176.6 . 1 1455 . 131 LYS CA C 57.6 . 1 1456 . 131 LYS HA H 3.99 . 1 1457 . 131 LYS CB C 31.9 . 1 1458 . 131 LYS HB2 H 1.75 . 1 1459 . 131 LYS HB3 H 1.75 . 1 1460 . 132 MET N N 114.7 . 1 1461 . 132 MET H H 7.58 . 1 1462 . 132 MET C C 176.1 . 1 1463 . 132 MET CA C 54.1 . 1 1464 . 132 MET HA H 4.35 . 1 1465 . 132 MET CB C 31.7 . 1 1466 . 132 MET HB2 H 2.08 . 1 1467 . 132 MET HB3 H 2.08 . 1 1468 . 132 MET CG C 32.2 . 1 1469 . 132 MET HG2 H 2.6 . 2 1470 . 132 MET HG3 H 2.45 . 2 1471 . 132 MET CE C 16.5 . 1 1472 . 132 MET HE H 1.9 . 1 1473 . 133 ILE N N 122.4 . 1 1474 . 133 ILE H H 7.4 . 1 1475 . 133 ILE C C 175.8 . 1 1476 . 133 ILE CA C 61.1 . 1 1477 . 133 ILE HA H 3.92 . 1 1478 . 133 ILE CB C 37.00 . 1 1479 . 133 ILE HB H 1.44 . 1 1480 . 133 ILE CG1 C 27.2 . 1 1481 . 133 ILE HG12 H 1.47 . 2 1482 . 133 ILE HG13 H 0.71 . 2 1483 . 133 ILE CG2 C 17.5 . 1 1484 . 133 ILE HG2 H 0.76 . 1 1485 . 133 ILE CD1 C 13.00 . 1 1486 . 133 ILE HD1 H 0.39 . 1 1487 . 134 SER N N 126.1 . 1 1488 . 134 SER H H 9.14 . 1 1489 . 134 SER C C 173.9 . 1 1490 . 134 SER CA C 56.9 . 1 1491 . 134 SER HA H 4.58 . 1 1492 . 134 SER CB C 62.5 . 1 1493 . 134 SER HB2 H 4.04 . 1 1494 . 134 SER HB3 H 4.24 . 1 1495 . 135 PRO C C 179.3 . 1 1496 . 135 PRO CA C 65.2 . 1 1497 . 135 PRO HA H 4.36 . 1 1498 . 135 PRO CB C 31.4 . 1 1499 . 135 PRO HB2 H 2.41 . 2 1500 . 135 PRO HB3 H 1.96 . 2 1501 . 135 PRO CG C 27.6 . 1 1502 . 135 PRO HG2 H 2.18 . 2 1503 . 135 PRO HG3 H 2.09 . 2 1504 . 135 PRO CD C 50.5 . 1 1505 . 135 PRO HD2 H 3.94 . 2 1506 . 135 PRO HD3 H 3.87 . 2 1507 . 136 GLU N N 117.5 . 1 1508 . 136 GLU H H 8.58 . 1 1509 . 136 GLU C C 177.7 . 1 1510 . 136 GLU CA C 58.8 . 1 1511 . 136 GLU HA H 4.06 . 1 1512 . 136 GLU CB C 28.6 . 1 1513 . 136 GLU HB2 H 2.01 . 1 1514 . 136 GLU HB3 H 2.01 . 1 1515 . 136 GLU HG2 H 2.37 . 1 1516 . 136 GLU HG3 H 2.37 . 1 1517 . 137 ASP N N 119.1 . 1 1518 . 137 ASP H H 7.82 . 1 1519 . 137 ASP C C 179.7 . 1 1520 . 137 ASP CA C 56.2 . 1 1521 . 137 ASP HA H 4.67 . 1 1522 . 137 ASP CB C 40.1 . 1 1523 . 137 ASP HB2 H 2.8 . 2 1524 . 137 ASP HB3 H 2.57 . 2 1525 . 138 THR N N 115.4 . 1 1526 . 138 THR H H 8.2 . 1 1527 . 138 THR C C 176.6 . 1 1528 . 138 THR CA C 65.1 . 1 1529 . 138 THR HA H 3.87 . 1 1530 . 138 THR CB C 68.4 . 1 1531 . 138 THR HB H 4.34 . 1 1532 . 138 THR CG2 C 22.3 . 1 1533 . 138 THR HG2 H 1.16 . 1 1534 . 139 LYS N N 119.5 . 1 1535 . 139 LYS H H 7.21 . 1 1536 . 139 LYS C C 176.3 . 1 1537 . 139 LYS CA C 57.5 . 1 1538 . 139 LYS HA H 4.13 . 1 1539 . 139 LYS CB C 31.4 . 1 1540 . 139 LYS HB2 H 1.63 . 1 1541 . 139 LYS HB3 H 1.63 . 1 1542 . 139 LYS HG2 H 1.33 . 2 1543 . 139 LYS HG3 H 1.27 . 2 1544 . 139 LYS HD2 H 1.69 . 2 1545 . 139 LYS HD3 H 1.63 . 2 1546 . 139 LYS HE2 H 2.93 . 1 1547 . 139 LYS HE3 H 2.93 . 1 1548 . 140 HIS N N 115.00 . 1 1549 . 140 HIS H H 7.34 . 1 1550 . 140 HIS C C 174.9 . 1 1551 . 140 HIS CA C 54.4 . 1 1552 . 140 HIS HA H 4.84 . 1 1553 . 140 HIS CB C 29.8 . 1 1554 . 140 HIS HB2 H 3.46 . 2 1555 . 140 HIS HB3 H 3.02 . 2 1556 . 141 LEU N N 121.6 . 1 1557 . 141 LEU H H 7.23 . 1 1558 . 141 LEU C C 175.4 . 1 1559 . 141 LEU CA C 52.9 . 1 1560 . 141 LEU HA H 4.57 . 1 1561 . 141 LEU CB C 41.1 . 1 1562 . 141 LEU HB2 H 1.82 . 1 1563 . 141 LEU HB3 H 1.28 . 1 1564 . 141 LEU CG C 26.3 . 1 1565 . 141 LEU HG H 2.01 . 1 1566 . 141 LEU CD1 C 26.6 . 1 1567 . 141 LEU HD1 H 1.11 . 1 1568 . 141 LEU CD2 C 21.8 . 1 1569 . 141 LEU HD2 H 0.97 . 1 1570 . 142 PRO C C 177.7 . 1 1571 . 142 PRO CA C 62.6 . 1 1572 . 142 PRO HA H 4.48 . 1 1573 . 142 PRO CB C 32.2 . 1 1574 . 142 PRO HB2 H 2.45 . 2 1575 . 142 PRO HB3 H 1.9 . 2 1576 . 142 PRO CG C 27.3 . 1 1577 . 142 PRO HG2 H 2.12 . 2 1578 . 142 PRO HG3 H 2.08 . 2 1579 . 142 PRO CD C 50.5 . 1 1580 . 142 PRO HD2 H 4.03 . 2 1581 . 142 PRO HD3 H 3.61 . 2 1582 . 143 GLU N N 122.7 . 1 1583 . 143 GLU H H 8.72 . 1 1584 . 143 GLU C C 175.6 . 1 1585 . 143 GLU CA C 58.6 . 1 1586 . 143 GLU HA H 3.99 . 1 1587 . 143 GLU CB C 29.2 . 1 1588 . 143 GLU HB2 H 2.03 . 1 1589 . 143 GLU HB3 H 2.03 . 1 1590 . 143 GLU CG C 36.1 . 1 1591 . 143 GLU HG2 H 2.28 . 1 1592 . 143 GLU HG3 H 2.28 . 1 1593 . 144 ASP N N 112.9 . 1 1594 . 144 ASP H H 8.17 . 1 1595 . 144 ASP C C 176.2 . 1 1596 . 144 ASP CA C 53.2 . 1 1597 . 144 ASP HA H 4.61 . 1 1598 . 144 ASP CB C 39.4 . 1 1599 . 144 ASP HB2 H 2.95 . 2 1600 . 144 ASP HB3 H 2.66 . 2 1601 . 145 GLU N N 114.5 . 1 1602 . 145 GLU H H 7.98 . 1 1603 . 145 GLU C C 176.1 . 1 1604 . 145 GLU CA C 54.00 . 1 1605 . 145 GLU HA H 4.55 . 1 1606 . 145 GLU CB C 31.3 . 1 1607 . 145 GLU HB2 H 2.24 . 2 1608 . 145 GLU HB3 H 1.83 . 2 1609 . 145 GLU HG2 H 2.03 . 1 1610 . 145 GLU HG3 H 2.03 . 1 1611 . 146 ASN N N 118.1 . 1 1612 . 146 ASN H H 7.35 . 1 1613 . 146 ASN C C 173.5 . 1 1614 . 146 ASN CA C 53.3 . 1 1615 . 146 ASN HA H 4.77 . 1 1616 . 146 ASN CB C 37.5 . 1 1617 . 146 ASN HB2 H 3.39 . 1 1618 . 146 ASN HB3 H 2.83 . 1 1619 . 147 THR N N 106.3 . 1 1620 . 147 THR H H 7.11 . 1 1621 . 147 THR C C 172.6 . 1 1622 . 147 THR CA C 57.8 . 1 1623 . 147 THR HA H 4.41 . 1 1624 . 147 THR CB C 70.2 . 1 1625 . 147 THR HB H 4.45 . 1 1626 . 147 THR CG2 C 22.00 . 1 1627 . 147 THR HG2 H 1.21 . 1 1628 . 148 PRO C C 176.9 . 1 1629 . 148 PRO CA C 65.00 . 1 1630 . 148 PRO HA H 3.66 . 1 1631 . 148 PRO CB C 32.1 . 1 1632 . 148 PRO HB2 H 2.12 . 2 1633 . 148 PRO HB3 H 1.82 . 2 1634 . 148 PRO CG C 27.7 . 1 1635 . 148 PRO HG2 H 2.15 . 2 1636 . 148 PRO HG3 H 1.45 . 2 1637 . 148 PRO CD C 49.6 . 1 1638 . 148 PRO HD2 H 3.66 . 2 1639 . 148 PRO HD3 H 2.34 . 2 1640 . 149 GLU N N 117.8 . 1 1641 . 149 GLU H H 8.86 . 1 1642 . 149 GLU C C 179.1 . 1 1643 . 149 GLU CA C 60.7 . 1 1644 . 149 GLU HA H 3.77 . 1 1645 . 149 GLU CB C 28.1 . 1 1646 . 149 GLU HB2 H 1.99 . 1 1647 . 149 GLU HB3 H 1.89 . 1 1648 . 149 GLU CG C 37.2 . 1 1649 . 149 GLU HG2 H 2.4 . 2 1650 . 149 GLU HG3 H 2.19 . 2 1651 . 150 LYS N N 119.6 . 1 1652 . 150 LYS H H 7.69 . 1 1653 . 150 LYS C C 179.9 . 1 1654 . 150 LYS CA C 59.4 . 1 1655 . 150 LYS HA H 3.97 . 1 1656 . 150 LYS CB C 33.4 . 1 1657 . 150 LYS HB2 H 1.44 . 2 1658 . 150 LYS HB3 H 1.39 . 2 1659 . 150 LYS HE2 H 3.02 . 1 1660 . 150 LYS HE3 H 3.02 . 1 1661 . 151 ARG N N 118.6 . 1 1662 . 151 ARG H H 7.78 . 1 1663 . 151 ARG C C 177.4 . 1 1664 . 151 ARG CA C 60.1 . 1 1665 . 151 ARG HA H 3.91 . 1 1666 . 151 ARG CB C 31.2 . 1 1667 . 151 ARG HB2 H 2.04 . 2 1668 . 151 ARG HB3 H 1.88 . 2 1669 . 151 ARG HD2 H 3.34 . 2 1670 . 151 ARG HD3 H 3.05 . 2 1671 . 152 ALA N N 120.7 . 1 1672 . 152 ALA H H 8.76 . 1 1673 . 152 ALA C C 178.5 . 1 1674 . 152 ALA CA C 55.2 . 1 1675 . 152 ALA HA H 4.06 . 1 1676 . 152 ALA CB C 17.7 . 1 1677 . 152 ALA HB H 1.4 . 1 1678 . 153 GLU N N 118.00 . 1 1679 . 153 GLU H H 7.98 . 1 1680 . 153 GLU C C 179.3 . 1 1681 . 153 GLU CA C 58.7 . 1 1682 . 153 GLU HA H 4.06 . 1 1683 . 153 GLU CB C 28.9 . 1 1684 . 153 GLU HB2 H 2.15 . 1 1685 . 153 GLU HB3 H 2.15 . 1 1686 . 153 GLU CG C 35.4 . 1 1687 . 153 GLU HG2 H 2.37 . 1 1688 . 153 GLU HG3 H 2.37 . 1 1689 . 154 LYS N N 121.1 . 1 1690 . 154 LYS H H 7.93 . 1 1691 . 154 LYS C C 178.9 . 1 1692 . 154 LYS CA C 59.7 . 1 1693 . 154 LYS HA H 3.99 . 1 1694 . 154 LYS CB C 32.3 . 1 1695 . 154 LYS HB2 H 2.05 . 2 1696 . 154 LYS HB3 H 1.83 . 2 1697 . 154 LYS CG C 26.00 . 1 1698 . 154 LYS HG2 H 1.53 . 2 1699 . 154 LYS HG3 H 1.23 . 2 1700 . 154 LYS CD C 30.00 . 1 1701 . 154 LYS HD2 H 1.67 . 1 1702 . 154 LYS HD3 H 1.67 . 1 1703 . 154 LYS HE2 H 2.93 . 1 1704 . 154 LYS HE3 H 2.93 . 1 1705 . 155 ILE N N 119.3 . 1 1706 . 155 ILE H H 8.19 . 1 1707 . 155 ILE C C 176.4 . 1 1708 . 155 ILE CA C 66.1 . 1 1709 . 155 ILE HA H 3.62 . 1 1710 . 155 ILE CB C 38.2 . 1 1711 . 155 ILE HB H 2.17 . 1 1712 . 155 ILE CG1 C 30.00 . 1 1713 . 155 ILE HG12 H 1.05 . 1 1714 . 155 ILE HG13 H 1.05 . 1 1715 . 155 ILE CG2 C 17.6 . 1 1716 . 155 ILE HG2 H 1.21 . 1 1717 . 155 ILE CD1 C 14.3 . 1 1718 . 155 ILE HD1 H 0.83 . 1 1719 . 156 TRP N N 121.5 . 1 1720 . 156 TRP H H 8.72 . 1 1721 . 156 TRP C C 179.2 . 1 1722 . 156 TRP CA C 60.9 . 1 1723 . 156 TRP HA H 4.43 . 1 1724 . 156 TRP CB C 29.5 . 1 1725 . 156 TRP HB2 H 3.41 . 1 1726 . 156 TRP HB3 H 3.41 . 1 1727 . 156 TRP CD1 C 126.6 . 1 1728 . 156 TRP HD1 H 7.03 . 1 1729 . 156 TRP CE3 C 118.6 . 1 1730 . 156 TRP HE3 H 7.4 . 1 1731 . 156 TRP CZ2 C 115.00 . 1 1732 . 156 TRP HZ2 H 7.58 . 1 1733 . 156 TRP CZ3 C 121.1 . 1 1734 . 156 TRP HZ3 H 6.72 . 1 1735 . 156 TRP CH2 C 124.1 . 1 1736 . 156 TRP HH2 H 6.93 . 1 1737 . 156 TRP NE1 N 128.6 . 1 1738 . 156 TRP HE1 H 9.38 . 1 1739 . 157 GLY N N 104.3 . 1 1740 . 157 GLY H H 8.32 . 1 1741 . 157 GLY C C 177.6 . 1 1742 . 157 GLY CA C 46.5 . 1 1743 . 157 GLY HA2 H 4.00 . 2 1744 . 157 GLY HA3 H 3.9 . 2 1745 . 158 PHE N N 123.5 . 1 1746 . 158 PHE H H 8.05 . 1 1747 . 158 PHE C C 178.1 . 1 1748 . 158 PHE CA C 59.4 . 1 1749 . 158 PHE HA H 4.48 . 1 1750 . 158 PHE CB C 38.1 . 1 1751 . 158 PHE HB2 H 3.04 . 2 1752 . 158 PHE HB3 H 2.88 . 2 1753 . 158 PHE CD1 C 130.9 . 1 1754 . 158 PHE CD2 C 130.9 . 1 1755 . 158 PHE HD1 H 6.91 . 1 1756 . 158 PHE HD2 H 6.91 . 1 1757 . 158 PHE CE1 C 131.7 . 1 1758 . 158 PHE CE2 C 131.7 . 1 1759 . 158 PHE HE1 H 7.12 . 1 1760 . 158 PHE HE2 H 7.12 . 1 1761 . 158 PHE CZ C 129.5 . 1 1762 . 158 PHE HZ H 7.22 . 1 1763 . 159 PHE N N 117.1 . 1 1764 . 159 PHE H H 7.75 . 1 1765 . 159 PHE C C 176.2 . 1 1766 . 159 PHE CA C 59.4 . 1 1767 . 159 PHE HA H 4.4 . 1 1768 . 159 PHE CB C 39.4 . 1 1769 . 159 PHE HB2 H 2.49 . 1 1770 . 159 PHE HB3 H 2.92 . 1 1771 . 159 PHE CD1 C 131.8 . 1 1772 . 159 PHE CD2 C 131.8 . 1 1773 . 159 PHE HD1 H 7.22 . 1 1774 . 159 PHE HD2 H 7.22 . 1 1775 . 159 PHE HE1 H 7.32 . 1 1776 . 159 PHE HE2 H 7.32 . 1 1777 . 160 GLY N N 109.1 . 1 1778 . 160 GLY H H 7.85 . 1 1779 . 160 GLY C C 174.4 . 1 1780 . 160 GLY CA C 46.1 . 1 1781 . 160 GLY HA2 H 3.88 . 1 1782 . 160 GLY HA3 H 3.88 . 1 1783 . 161 LYS N N 118.00 . 1 1784 . 161 LYS H H 7.19 . 1 1785 . 161 LYS C C 176.2 . 1 1786 . 161 LYS CA C 53.00 . 1 1787 . 161 LYS HA H 4.5 . 1 1788 . 161 LYS CB C 33.6 . 1 1789 . 161 LYS HB2 H 1.7 . 2 1790 . 161 LYS HB3 H 0.65 . 2 1791 . 161 LYS CE C 41.9 . 1 1792 . 161 LYS HE2 H 2.88 . 2 1793 . 161 LYS HE3 H 2.73 . 2 1794 . 162 LYS N N 121.3 . 1 1795 . 162 LYS H H 9.2 . 1 1796 . 162 LYS C C 178.9 . 1 1797 . 162 LYS CA C 55.2 . 1 1798 . 162 LYS HA H 4.65 . 1 1799 . 162 LYS CB C 32.9 . 1 1800 . 162 LYS HB2 H 1.86 . 1 1801 . 162 LYS HB3 H 2.07 . 1 1802 . 162 LYS HG2 H 1.59 . 1 1803 . 162 LYS HG3 H 1.59 . 1 1804 . 162 LYS HD2 H 1.77 . 1 1805 . 162 LYS HD3 H 1.77 . 1 1806 . 162 LYS HE2 H 3.08 . 1 1807 . 162 LYS HE3 H 3.08 . 1 1808 . 163 ASP N N 121.7 . 1 1809 . 163 ASP H H 8.77 . 1 1810 . 163 ASP C C 176.2 . 1 1811 . 163 ASP CA C 57.6 . 1 1812 . 163 ASP HA H 4.37 . 1 1813 . 163 ASP CB C 40.4 . 1 1814 . 163 ASP HB2 H 2.63 . 1 1815 . 163 ASP HB3 H 2.63 . 1 1816 . 164 ASP N N 115.5 . 1 1817 . 164 ASP H H 8.4 . 1 1818 . 164 ASP C C 176.00 . 1 1819 . 164 ASP CA C 53.1 . 1 1820 . 164 ASP HA H 4.75 . 1 1821 . 164 ASP CB C 40.00 . 1 1822 . 164 ASP HB2 H 2.8 . 2 1823 . 164 ASP HB3 H 2.74 . 2 1824 . 165 ASP N N 120.6 . 1 1825 . 165 ASP H H 7.74 . 1 1826 . 165 ASP C C 175.3 . 1 1827 . 165 ASP CA C 54.00 . 1 1828 . 165 ASP HA H 4.88 . 1 1829 . 165 ASP CB C 43.2 . 1 1830 . 165 ASP HB2 H 3.03 . 2 1831 . 165 ASP HB3 H 2.83 . 2 1832 . 166 LYS N N 118.5 . 1 1833 . 166 LYS H H 8.61 . 1 1834 . 166 LYS C C 175.2 . 1 1835 . 166 LYS CA C 54.5 . 1 1836 . 166 LYS HA H 5.04 . 1 1837 . 166 LYS CB C 34.9 . 1 1838 . 166 LYS HB2 H 1.7 . 1 1839 . 166 LYS HB3 H 1.82 . 1 1840 . 166 LYS CG C 25.1 . 1 1841 . 166 LYS HG2 H 1.48 . 2 1842 . 166 LYS HG3 H 1.32 . 2 1843 . 166 LYS CD C 28.8 . 1 1844 . 166 LYS HD2 H 1.59 . 1 1845 . 166 LYS HD3 H 1.59 . 1 1846 . 166 LYS CE C 41.7 . 1 1847 . 166 LYS HE2 H 2.96 . 1 1848 . 166 LYS HE3 H 2.96 . 1 1849 . 167 LEU N N 121.2 . 1 1850 . 167 LEU H H 8.81 . 1 1851 . 167 LEU C C 177.00 . 1 1852 . 167 LEU CA C 53.2 . 1 1853 . 167 LEU HA H 4.73 . 1 1854 . 167 LEU HB2 H 1.62 . 2 1855 . 167 LEU HB3 H 1.49 . 2 1856 . 167 LEU HG H 1.34 . 1 1857 . 167 LEU CD1 C 25.7 . 1 1858 . 167 LEU HD1 H 0.09 . 1 1859 . 167 LEU CD2 C 24.00 . 1 1860 . 167 LEU HD2 H 0.09 . 1 1861 . 168 THR N N 113.3 . 1 1862 . 168 THR H H 8.77 . 1 1863 . 168 THR C C 174.5 . 1 1864 . 168 THR CA C 60.4 . 1 1865 . 168 THR HA H 4.98 . 1 1866 . 168 THR CB C 71.00 . 1 1867 . 168 THR HB H 4.74 . 1 1868 . 168 THR CG2 C 21.6 . 1 1869 . 168 THR HG2 H 1.31 . 1 1870 . 169 GLU N N 122.4 . 1 1871 . 169 GLU H H 7.69 . 1 1872 . 169 GLU C C 177.00 . 1 1873 . 169 GLU CA C 60.00 . 1 1874 . 169 GLU HA H 2.55 . 1 1875 . 169 GLU CB C 29.5 . 1 1876 . 169 GLU HB2 H 1.2 . 1 1877 . 169 GLU HB3 H 1.61 . 1 1878 . 169 GLU CG C 35.7 . 1 1879 . 169 GLU HG2 H 1.7 . 1 1880 . 169 GLU HG3 H 1.7 . 1 1881 . 170 LYS N N 117.1 . 1 1882 . 170 LYS H H 8.08 . 1 1883 . 170 LYS C C 178.6 . 1 1884 . 170 LYS CA C 59.00 . 1 1885 . 170 LYS HA H 3.93 . 1 1886 . 170 LYS CB C 32.3 . 1 1887 . 170 LYS HB2 H 1.64 . 1 1888 . 170 LYS HB3 H 1.77 . 1 1889 . 170 LYS HG2 H 1.41 . 1 1890 . 170 LYS HG3 H 1.41 . 1 1891 . 170 LYS HE2 H 2.99 . 1 1892 . 170 LYS HE3 H 2.99 . 1 1893 . 171 GLU N N 117.2 . 1 1894 . 171 GLU H H 7.36 . 1 1895 . 171 GLU C C 178.7 . 1 1896 . 171 GLU CA C 58.6 . 1 1897 . 171 GLU HA H 3.94 . 1 1898 . 171 GLU CB C 30.5 . 1 1899 . 171 GLU HB2 H 2.13 . 2 1900 . 171 GLU HB3 H 1.61 . 2 1901 . 171 GLU HG2 H 2.26 . 1 1902 . 171 GLU HG3 H 2.26 . 1 1903 . 172 PHE N N 118.2 . 1 1904 . 172 PHE H H 8.44 . 1 1905 . 172 PHE C C 176.2 . 1 1906 . 172 PHE CA C 60.7 . 1 1907 . 172 PHE HA H 4.13 . 1 1908 . 172 PHE CB C 39.5 . 1 1909 . 172 PHE HB2 H 2.98 . 1 1910 . 172 PHE HB3 H 2.98 . 1 1911 . 172 PHE CD1 C 131.9 . 1 1912 . 172 PHE CD2 C 131.9 . 1 1913 . 172 PHE HD1 H 7.13 . 1 1914 . 172 PHE HD2 H 7.13 . 1 1915 . 172 PHE CE1 C 130.7 . 1 1916 . 172 PHE CE2 C 130.7 . 1 1917 . 172 PHE HE1 H 7.46 . 1 1918 . 172 PHE HE2 H 7.46 . 1 1919 . 172 PHE HZ H 7.06 . 1 1920 . 173 ILE N N 118.00 . 1 1921 . 173 ILE H H 8.61 . 1 1922 . 173 ILE C C 176.5 . 1 1923 . 173 ILE CA C 64.7 . 1 1924 . 173 ILE HA H 3.58 . 1 1925 . 173 ILE CB C 37.8 . 1 1926 . 173 ILE HB H 1.86 . 1 1927 . 173 ILE HG12 H 1.92 . 2 1928 . 173 ILE HG13 H 1.02 . 2 1929 . 173 ILE CG2 C 16.9 . 1 1930 . 173 ILE HG2 H 0.89 . 1 1931 . 173 ILE CD1 C 13.9 . 1 1932 . 173 ILE HD1 H 0.89 . 1 1933 . 174 GLU N N 116.00 . 1 1934 . 174 GLU H H 8.18 . 1 1935 . 174 GLU C C 180.3 . 1 1936 . 174 GLU CA C 59.1 . 1 1937 . 174 GLU HA H 3.93 . 1 1938 . 174 GLU CB C 28.4 . 1 1939 . 174 GLU HB2 H 2.16 . 1 1940 . 174 GLU HB3 H 1.98 . 1 1941 . 174 GLU HG2 H 2.48 . 1 1942 . 174 GLU HG3 H 2.48 . 1 1943 . 175 GLY N N 107.5 . 1 1944 . 175 GLY H H 8.16 . 1 1945 . 175 GLY C C 175.9 . 1 1946 . 175 GLY CA C 46.7 . 1 1947 . 175 GLY HA2 H 4.14 . 2 1948 . 175 GLY HA3 H 3.93 . 2 1949 . 176 THR N N 118.6 . 1 1950 . 176 THR H H 7.3 . 1 1951 . 176 THR C C 175.1 . 1 1952 . 176 THR CA C 66.6 . 1 1953 . 176 THR HA H 3.75 . 1 1954 . 176 THR CB C 66.9 . 1 1955 . 176 THR HB H 3.9 . 1 1956 . 176 THR CG2 C 22.9 . 1 1957 . 176 THR HG2 H 0.93 . 1 1958 . 177 LEU N N 116.8 . 1 1959 . 177 LEU H H 7.47 . 1 1960 . 177 LEU C C 178.2 . 1 1961 . 177 LEU CA C 56.6 . 1 1962 . 177 LEU HA H 3.86 . 1 1963 . 177 LEU HB2 H 1.76 . 1 1964 . 177 LEU HB3 H 1.42 . 1 1965 . 177 LEU HG H 1.76 . 1 1966 . 177 LEU CD1 C 25.6 . 1 1967 . 177 LEU HD1 H 0.79 . 1 1968 . 177 LEU CD2 C 22.6 . 1 1969 . 177 LEU HD2 H 0.73 . 1 1970 . 178 ALA N N 117.2 . 1 1971 . 178 ALA H H 7.29 . 1 1972 . 178 ALA C C 176.9 . 1 1973 . 178 ALA CA C 52.1 . 1 1974 . 178 ALA HA H 4.28 . 1 1975 . 178 ALA CB C 19.2 . 1 1976 . 178 ALA HB H 1.47 . 1 1977 . 179 ASN N N 117.4 . 1 1978 . 179 ASN H H 7.35 . 1 1979 . 179 ASN C C 174.00 . 1 1980 . 179 ASN CA C 51.8 . 1 1981 . 179 ASN HA H 4.88 . 1 1982 . 179 ASN CB C 39.1 . 1 1983 . 179 ASN HB2 H 2.4 . 1 1984 . 179 ASN HB3 H 2.63 . 1 1985 . 180 LYS N N 125.00 . 1 1986 . 180 LYS H H 8.78 . 1 1987 . 180 LYS C C 177.9 . 1 1988 . 180 LYS CA C 58.7 . 1 1989 . 180 LYS HA H 4.01 . 1 1990 . 180 LYS HB2 H 1.87 . 1 1991 . 180 LYS HB3 H 1.87 . 1 1992 . 181 GLU N N 118.4 . 1 1993 . 181 GLU H H 8.11 . 1 1994 . 181 GLU C C 177.5 . 1 1995 . 181 GLU CA C 57.8 . 1 1996 . 181 GLU HA H 4.11 . 1 1997 . 181 GLU CB C 28.9 . 1 1998 . 181 GLU HB2 H 1.52 . 1 1999 . 181 GLU HB3 H 1.83 . 1 2000 . 181 GLU HG2 H 2.19 . 2 2001 . 181 GLU HG3 H 2.11 . 2 2002 . 182 ILE N N 117.3 . 1 2003 . 182 ILE H H 7.15 . 1 2004 . 182 ILE C C 177.6 . 1 2005 . 182 ILE CA C 64.3 . 1 2006 . 182 ILE HA H 3.63 . 1 2007 . 182 ILE CB C 36.7 . 1 2008 . 182 ILE HB H 1.88 . 1 2009 . 182 ILE CG1 C 28.7 . 1 2010 . 182 ILE HG12 H 1.05 . 2 2011 . 182 ILE HG13 H 0.62 . 2 2012 . 182 ILE CG2 C 18.6 . 1 2013 . 182 ILE HG2 H 0.85 . 1 2014 . 182 ILE CD1 C 11.7 . 1 2015 . 182 ILE HD1 H 0.22 . 1 2016 . 183 LEU N N 119.3 . 1 2017 . 183 LEU H H 7.5 . 1 2018 . 183 LEU C C 176.6 . 1 2019 . 183 LEU CA C 57.6 . 1 2020 . 183 LEU HA H 3.78 . 1 2021 . 183 LEU CB C 41.2 . 1 2022 . 183 LEU HB2 H 1.77 . 2 2023 . 183 LEU HB3 H 1.66 . 2 2024 . 183 LEU HG H 1.63 . 1 2025 . 183 LEU CD1 C 23.6 . 1 2026 . 183 LEU HD1 H 0.78 . 1 2027 . 183 LEU CD2 C 25.1 . 1 2028 . 183 LEU HD2 H 0.83 . 1 2029 . 184 ARG N N 115.00 . 1 2030 . 184 ARG H H 7.6 . 1 2031 . 184 ARG C C 177.3 . 1 2032 . 184 ARG CA C 58.00 . 1 2033 . 184 ARG HA H 4.24 . 1 2034 . 184 ARG CB C 29.4 . 1 2035 . 184 ARG HB2 H 1.95 . 1 2036 . 184 ARG HB3 H 1.95 . 1 2037 . 184 ARG HG2 H 1.7 . 2 2038 . 184 ARG HG3 H 1.51 . 2 2039 . 185 LEU N N 118.3 . 1 2040 . 185 LEU H H 7.62 . 1 2041 . 185 LEU CA C 51.7 . 1 2042 . 185 LEU HA H 4.25 . 1 2043 . 185 LEU CB C 43.00 . 1 2044 . 185 LEU HB2 H 2.13 . 1 2045 . 185 LEU HB3 H 1.35 . 1 2046 . 185 LEU HG H 1.97 . 1 2047 . 185 LEU CD1 C 26.00 . 1 2048 . 185 LEU HD1 H 1.00 . 1 2049 . 185 LEU CD2 C 22.1 . 1 2050 . 185 LEU HD2 H 0.85 . 1 2051 . 186 ILE N N 115.8 . 1 2052 . 186 ILE H H 7.77 . 1 2053 . 186 ILE C C 172.7 . 1 2054 . 186 ILE CA C 60.8 . 1 2055 . 186 ILE HA H 4.37 . 1 2056 . 186 ILE CB C 39.6 . 1 2057 . 186 ILE HB H 1.91 . 1 2058 . 186 ILE CG1 C 28.5 . 1 2059 . 186 ILE HG12 H 1.6 . 2 2060 . 186 ILE HG13 H 1.35 . 2 2061 . 186 ILE CG2 C 17.5 . 1 2062 . 186 ILE HG2 H 0.91 . 1 2063 . 186 ILE CD1 C 13.7 . 1 2064 . 186 ILE HD1 H 0.89 . 1 2065 . 187 GLN N N 115.6 . 1 2066 . 187 GLN H H 7.66 . 1 2067 . 187 GLN C C 174.00 . 1 2068 . 187 GLN CA C 54.7 . 1 2069 . 187 GLN HA H 4.5 . 1 2070 . 187 GLN CB C 30.00 . 1 2071 . 187 GLN HB2 H 2.1 . 1 2072 . 187 GLN HB3 H 2.1 . 1 2073 . 187 GLN CG C 34.1 . 1 2074 . 187 GLN HG2 H 2.32 . 2 2075 . 187 GLN HG3 H 2.21 . 2 2076 . 187 GLN CD C 179.4 . 1 2077 . 187 GLN NE2 N 109.8 . 1 2078 . 187 GLN HE21 H 7.22 . 2 2079 . 187 GLN HE22 H 6.71 . 2 2080 . 188 PHE N N 119.3 . 1 2081 . 188 PHE H H 7.93 . 1 2082 . 188 PHE C C 173.8 . 1 2083 . 188 PHE CA C 56.9 . 1 2084 . 188 PHE HA H 4.6 . 1 2085 . 188 PHE CB C 39.5 . 1 2086 . 188 PHE HB2 H 3.04 . 1 2087 . 188 PHE HB3 H 3.04 . 1 2088 . 188 PHE CD1 C 129.1 . 1 2089 . 188 PHE CD2 C 129.1 . 1 2090 . 188 PHE HD1 H 7.13 . 1 2091 . 188 PHE HD2 H 7.13 . 1 2092 . 188 PHE HE1 H 7.21 . 1 2093 . 188 PHE HE2 H 7.21 . 1 2094 . 189 GLU N N 123.8 . 1 2095 . 189 GLU H H 7.98 . 1 2096 . 189 GLU C C 173.7 . 1 2097 . 189 GLU CA C 53.2 . 1 2098 . 189 GLU HA H 4.64 . 1 2099 . 189 GLU CB C 30.3 . 1 2100 . 189 GLU HB2 H 1.8 . 1 2101 . 189 GLU HB3 H 1.94 . 1 2102 . 189 GLU CG C 36.1 . 1 2103 . 189 GLU HG2 H 2.14 . 1 2104 . 189 GLU HG3 H 2.14 . 1 2105 . 190 PRO C C 176.7 . 1 2106 . 190 PRO CA C 62.8 . 1 2107 . 190 PRO HA H 4.33 . 1 2108 . 190 PRO CB C 32.00 . 1 2109 . 190 PRO HB2 H 2.28 . 2 2110 . 190 PRO HB3 H 1.93 . 2 2111 . 190 PRO HG2 H 1.89 . 1 2112 . 190 PRO HG3 H 1.89 . 1 2113 . 190 PRO CD C 50.7 . 1 2114 . 190 PRO HD2 H 3.66 . 1 2115 . 190 PRO HD3 H 3.66 . 1 2116 . 191 GLN N N 120.4 . 1 2117 . 191 GLN H H 8.57 . 1 2118 . 191 GLN C C 176.1 . 1 2119 . 191 GLN CA C 56.00 . 1 2120 . 191 GLN HA H 4.23 . 1 2121 . 191 GLN CB C 28.8 . 1 2122 . 191 GLN HB2 H 2.06 . 2 2123 . 191 GLN HB3 H 2.00 . 2 2124 . 191 GLN CG C 33.9 . 1 2125 . 191 GLN HG2 H 2.39 . 1 2126 . 191 GLN HG3 H 2.39 . 1 2127 . 191 GLN CD C 180.1 . 1 2128 . 191 GLN NE2 N 112.5 . 1 2129 . 191 GLN HE21 H 7.57 . 2 2130 . 191 GLN HE22 H 6.9 . 2 2131 . 192 LYS N N 122.6 . 1 2132 . 192 LYS H H 8.22 . 1 2133 . 192 LYS C C 176.5 . 1 2134 . 192 LYS CA C 56.3 . 1 2135 . 192 LYS HA H 4.32 . 1 2136 . 192 LYS CB C 32.5 . 1 2137 . 192 LYS HB2 H 1.77 . 1 2138 . 192 LYS HB3 H 1.77 . 1 2139 . 192 LYS HG2 H 1.4 . 1 2140 . 192 LYS HG3 H 1.4 . 1 2141 . 192 LYS HD2 H 1.64 . 1 2142 . 192 LYS HD3 H 1.64 . 1 2143 . 192 LYS HE2 H 2.97 . 1 2144 . 192 LYS HE3 H 2.97 . 1 2145 . 193 VAL N N 121.5 . 1 2146 . 193 VAL H H 7.98 . 1 2147 . 193 VAL C C 176.00 . 1 2148 . 193 VAL CA C 62.6 . 1 2149 . 193 VAL HA H 4.01 . 1 2150 . 193 VAL CB C 32.00 . 1 2151 . 193 VAL HB H 2.07 . 1 2152 . 193 VAL CG1 C 21.4 . 1 2153 . 193 VAL HG1 H 0.92 . 1 2154 . 193 VAL CG2 C 21.00 . 1 2155 . 193 VAL HG2 H 0.94 . 1 2156 . 194 LYS N N 124.7 . 1 2157 . 194 LYS H H 8.27 . 1 2158 . 194 LYS C C 176.5 . 1 2159 . 194 LYS CA C 56.2 . 1 2160 . 194 LYS HA H 4.24 . 1 2161 . 194 LYS CB C 32.3 . 1 2162 . 194 LYS HB2 H 1.8 . 1 2163 . 194 LYS HB3 H 1.8 . 1 2164 . 194 LYS HG2 H 1.44 . 1 2165 . 194 LYS HG3 H 1.44 . 1 2166 . 194 LYS HD2 H 1.67 . 1 2167 . 194 LYS HD3 H 1.67 . 1 2168 . 194 LYS HE2 H 3.01 . 1 2169 . 194 LYS HE3 H 3.01 . 1 2170 . 195 GLU N N 122.2 . 1 2171 . 195 GLU H H 8.29 . 1 2172 . 195 GLU C C 176.3 . 1 2173 . 195 GLU CA C 56.00 . 1 2174 . 195 GLU HA H 4.21 . 1 2175 . 195 GLU CB C 32.4 . 1 2176 . 195 GLU HB2 H 1.96 . 1 2177 . 195 GLU HB3 H 1.96 . 1 2178 . 195 GLU HG2 H 2.25 . 1 2179 . 195 GLU HG3 H 2.25 . 1 2180 . 196 LYS N N 122.5 . 1 2181 . 196 LYS H H 8.26 . 1 2182 . 196 LYS C C 176.4 . 1 2183 . 196 LYS CA C 56.00 . 1 2184 . 196 LYS HA H 4.28 . 1 2185 . 196 LYS CB C 32.4 . 1 2186 . 196 LYS HB2 H 1.81 . 1 2187 . 196 LYS HB3 H 1.81 . 1 2188 . 196 LYS HG2 H 1.44 . 1 2189 . 196 LYS HG3 H 1.44 . 1 2190 . 196 LYS HD2 H 1.67 . 1 2191 . 196 LYS HD3 H 1.67 . 1 2192 . 196 LYS HE2 H 3.01 . 1 2193 . 196 LYS HE3 H 3.01 . 1 2194 . 197 LEU N N 123.3 . 1 2195 . 197 LEU H H 8.14 . 1 2196 . 197 LEU C C 177.2 . 1 2197 . 197 LEU CA C 54.9 . 1 2198 . 197 LEU HA H 4.28 . 1 2199 . 197 LEU CB C 42.1 . 1 2200 . 197 LEU HB2 H 1.65 . 2 2201 . 197 LEU HB3 H 1.58 . 2 2202 . 197 LEU CG C 26.8 . 1 2203 . 197 LEU HG H 1.63 . 1 2204 . 197 LEU CD1 C 24.5 . 1 2205 . 197 LEU HD1 H 0.9 . 1 2206 . 197 LEU CD2 C 23.00 . 1 2207 . 197 LEU HD2 H 0.88 . 1 2208 . 198 LYS N N 122.3 . 1 2209 . 198 LYS H H 8.19 . 1 2210 . 198 LYS C C 176.2 . 1 2211 . 198 LYS CA C 56.00 . 1 2212 . 198 LYS HA H 4.22 . 1 2213 . 198 LYS CB C 32.4 . 1 2214 . 198 LYS HB2 H 1.83 . 1 2215 . 198 LYS HB3 H 1.83 . 1 2216 . 198 LYS HG2 H 1.44 . 1 2217 . 198 LYS HG3 H 1.44 . 1 2218 . 198 LYS HD2 H 1.68 . 1 2219 . 198 LYS HD3 H 1.68 . 1 2220 . 198 LYS HE2 H 2.97 . 1 2221 . 198 LYS HE3 H 2.97 . 1 2222 . 199 GLU N N 122.3 . 1 2223 . 199 GLU H H 8.29 . 1 2224 . 199 GLU C C 175.8 . 1 2225 . 199 GLU CA C 56.00 . 1 2226 . 199 GLU HA H 4.25 . 1 2227 . 199 GLU CB C 30.5 . 1 2228 . 199 GLU HB2 H 2.03 . 2 2229 . 199 GLU HB3 H 1.96 . 2 2230 . 199 GLU CG C 36.1 . 1 2231 . 199 GLU HG2 H 2.22 . 1 2232 . 199 GLU HG3 H 2.22 . 1 2233 . 200 LYS N N 123.4 . 1 2234 . 200 LYS H H 8.28 . 1 2235 . 200 LYS C C 175.6 . 1 2236 . 200 LYS CA C 55.8 . 1 2237 . 200 LYS HA H 4.22 . 1 2238 . 200 LYS CB C 32.6 . 1 2239 . 200 LYS HB2 H 1.87 . 2 2240 . 200 LYS HB3 H 1.79 . 2 2241 . 200 LYS CG C 24.6 . 1 2242 . 200 LYS HG2 H 1.42 . 1 2243 . 200 LYS HG3 H 1.42 . 1 2244 . 200 LYS CD C 30.5 . 1 2245 . 200 LYS HD2 H 1.67 . 1 2246 . 200 LYS HD3 H 1.67 . 1 2247 . 200 LYS CE C 43.00 . 1 2248 . 200 LYS HE2 H 3.00 . 1 2249 . 200 LYS HE3 H 3.00 . 1 2250 . 201 LYS N N 124.7 . 1 2251 . 201 LYS H H 8.34 . 1 2252 . 201 LYS C C 175.00 . 1 2253 . 201 LYS CA C 55.7 . 1 2254 . 201 LYS HA H 4.35 . 1 2255 . 201 LYS CB C 32.6 . 1 2256 . 201 LYS HB2 H 1.85 . 1 2257 . 201 LYS HB3 H 1.85 . 1 2258 . 201 LYS HG2 H 1.45 . 1 2259 . 201 LYS HG3 H 1.45 . 1 2260 . 201 LYS HD2 H 1.7 . 1 2261 . 201 LYS HD3 H 1.7 . 1 2262 . 201 LYS HE2 H 2.91 . 1 2263 . 201 LYS HE3 H 2.91 . 1 2264 . 202 LEU N N 130.4 . 1 2265 . 202 LEU H H 7.9 . 1 2266 . 202 LEU CA C 56.2 . 1 2267 . 202 LEU HA H 4.17 . 1 2268 . 202 LEU HB2 H 1.6 . 1 2269 . 202 LEU HB3 H 1.6 . 1 2270 . 202 LEU CG C 27.1 . 1 2271 . 202 LEU HG H 1.57 . 1 2272 . 202 LEU CD1 C 24.7 . 1 2273 . 202 LEU HD1 H 0.89 . 1 2274 . 202 LEU CD2 C 23.2 . 1 2275 . 202 LEU HD2 H 0.85 . 1 stop_ save_