data_15243 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C chemical shifts of human translationally controlled tumor protein ; _BMRB_accession_number 15243 _BMRB_flat_file_name bmr15243.str _Entry_type original _Submission_date 2007-05-09 _Accession_date 2007-05-09 _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 Feng Yingang . . 2 Yao Hongwei . . 3 Liu Dongsheng . . 4 Wang Jinfeng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1026 "13C chemical shifts" 757 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-02 update BMRB 'complete entry citation' 2007-10-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and mapping of a very weak calcium-binding site of human translationally controlled tumor protein by NMR' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17897616 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Yingang . . 2 Liu Dongsheng . . 3 Yao Hongwei . . 4 Wang Jinfeng . . stop_ _Journal_abbreviation 'Arch. Biochem. Biophys.' _Journal_volume 467 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 48 _Page_last 57 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TCTP monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TCTP $TCTP 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_TCTP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TCTP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 180 _Mol_residue_sequence ; MIIYRDLISHDEMFSDIYKI REIADGLCLEVEGKMVSRTE GNIDDSLIGGNASAEGPEGE GTESTVITGVDIVMNHHLQE TSFTKEAYKKYIKDYMKSIK GKLEEQRPERVKPFMTGAAE QIKHILANFKNYQFFIGENM NPDGMVALLDYREDGVTPYM IFFKDGLEMEKCLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 ILE 4 TYR 5 ARG 6 ASP 7 LEU 8 ILE 9 SER 10 HIS 11 ASP 12 GLU 13 MET 14 PHE 15 SER 16 ASP 17 ILE 18 TYR 19 LYS 20 ILE 21 ARG 22 GLU 23 ILE 24 ALA 25 ASP 26 GLY 27 LEU 28 CYS 29 LEU 30 GLU 31 VAL 32 GLU 33 GLY 34 LYS 35 MET 36 VAL 37 SER 38 ARG 39 THR 40 GLU 41 GLY 42 ASN 43 ILE 44 ASP 45 ASP 46 SER 47 LEU 48 ILE 49 GLY 50 GLY 51 ASN 52 ALA 53 SER 54 ALA 55 GLU 56 GLY 57 PRO 58 GLU 59 GLY 60 GLU 61 GLY 62 THR 63 GLU 64 SER 65 THR 66 VAL 67 ILE 68 THR 69 GLY 70 VAL 71 ASP 72 ILE 73 VAL 74 MET 75 ASN 76 HIS 77 HIS 78 LEU 79 GLN 80 GLU 81 THR 82 SER 83 PHE 84 THR 85 LYS 86 GLU 87 ALA 88 TYR 89 LYS 90 LYS 91 TYR 92 ILE 93 LYS 94 ASP 95 TYR 96 MET 97 LYS 98 SER 99 ILE 100 LYS 101 GLY 102 LYS 103 LEU 104 GLU 105 GLU 106 GLN 107 ARG 108 PRO 109 GLU 110 ARG 111 VAL 112 LYS 113 PRO 114 PHE 115 MET 116 THR 117 GLY 118 ALA 119 ALA 120 GLU 121 GLN 122 ILE 123 LYS 124 HIS 125 ILE 126 LEU 127 ALA 128 ASN 129 PHE 130 LYS 131 ASN 132 TYR 133 GLN 134 PHE 135 PHE 136 ILE 137 GLY 138 GLU 139 ASN 140 MET 141 ASN 142 PRO 143 ASP 144 GLY 145 MET 146 VAL 147 ALA 148 LEU 149 LEU 150 ASP 151 TYR 152 ARG 153 GLU 154 ASP 155 GLY 156 VAL 157 THR 158 PRO 159 TYR 160 MET 161 ILE 162 PHE 163 PHE 164 LYS 165 ASP 166 GLY 167 LEU 168 GLU 169 MET 170 GLU 171 LYS 172 CYS 173 LEU 174 GLU 175 HIS 176 HIS 177 HIS 178 HIS 179 HIS 180 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1YZ1 "Crystal Structure Of Human Translationally Controlled Tumour Associated Protein" 95.56 174 100.00 100.00 5.21e-122 PDB 2HR9 "Solution Structure Of Human Translationally Controlled Tumor Protein" 100.00 180 100.00 100.00 5.17e-129 PDB 3EBM "Crystal Structure Of Human Translationally Controlled Tumour Associated Protein (Htctp) Mutant E12v" 100.00 180 99.44 99.44 5.61e-128 DBJ BAC56439 "similar to tumor protein, translationally-controlled 1 [Bos taurus]" 51.11 92 98.91 98.91 3.59e-57 DBJ BAC56463 "similar to tumor protein, translationally-controlled 1 [Bos taurus]" 63.33 114 97.37 98.25 6.81e-73 DBJ BAC56506 "similar to tumor protein, translationally-controlled 1 [Bos taurus]" 65.00 117 99.15 100.00 3.87e-77 DBJ BAC56521 "similar to translationally controlled tumor protein [Bos taurus]" 86.11 155 99.35 100.00 6.18e-108 DBJ BAE01619 "unnamed protein product [Macaca fascicularis]" 54.44 98 100.00 100.00 6.67e-62 EMBL CAA12650 "translationally controlled tumor protein [Oryctolagus cuniculus]" 95.56 172 98.26 99.42 5.84e-120 EMBL CAA34200 "unnamed protein product [Homo sapiens]" 95.56 172 100.00 100.00 4.08e-122 EMBL CAB41990 "translationally controlled tumor protein (TCTP) [Oryctolagus cuniculus]" 95.56 172 98.26 99.42 5.84e-120 EMBL CAB87812 "translationally controlled tumor protein (TCTP) [Homo sapiens]" 95.56 172 100.00 100.00 4.08e-122 EMBL CAC01240 "translationally controlled tumor protein 4 [Oryctolagus cuniculus]" 95.56 172 98.26 99.42 5.84e-120 GB AAH03352 "Tumor protein, translationally-controlled 1 [Homo sapiens]" 95.56 172 100.00 100.00 4.08e-122 GB AAH12431 "Tumor protein, translationally-controlled 1 [Homo sapiens]" 95.56 172 98.84 98.84 3.81e-120 GB AAH22436 "TPT1 protein [Homo sapiens]" 76.67 138 100.00 100.00 9.21e-96 GB AAH52333 "Tumor protein, translationally-controlled 1 [Homo sapiens]" 95.56 172 100.00 100.00 4.08e-122 GB AAI04563 "Tumor protein, translationally-controlled 1 [Bos taurus]" 95.56 172 99.42 100.00 5.99e-122 REF NP_001014410 "translationally-controlled tumor protein [Bos taurus]" 95.56 172 99.42 100.00 5.99e-122 REF NP_001075598 "translationally-controlled tumor protein [Oryctolagus cuniculus]" 95.56 172 98.26 99.42 5.84e-120 REF NP_001092016 "translationally-controlled tumor protein [Pan troglodytes]" 95.56 172 100.00 100.00 4.08e-122 REF NP_001166553 "translationally-controlled tumor protein [Cavia porcellus]" 95.56 172 98.84 99.42 6.21e-121 REF NP_001253308 "tumor protein, translationally-controlled 1 [Macaca mulatta]" 95.56 172 100.00 100.00 4.08e-122 SP A5A6K2 "RecName: Full=Translationally-controlled tumor protein; Short=TCTP" 95.56 172 100.00 100.00 4.08e-122 SP P13693 "RecName: Full=Translationally-controlled tumor protein; Short=TCTP; AltName: Full=Fortilin; AltName: Full=Histamine-releasing f" 95.56 172 100.00 100.00 4.08e-122 SP P43348 "RecName: Full=Translationally-controlled tumor protein; Short=TCTP" 95.56 172 98.26 99.42 5.84e-120 SP P61288 "RecName: Full=Translationally-controlled tumor protein; Short=TCTP" 95.56 172 100.00 100.00 4.08e-122 SP Q5E984 "RecName: Full=Translationally-controlled tumor protein; Short=TCTP" 95.56 172 99.42 100.00 5.99e-122 TPG DAA15695 "TPA: tumor protein, translationally-controlled 1-like [Bos taurus]" 95.56 172 99.42 100.00 5.99e-122 TPG DAA20369 "TPA: tumor protein, translationally-controlled 1-like [Bos taurus]" 95.56 172 97.09 98.84 3.21e-119 TPG DAA23903 "TPA: translationally-controlled tumor protein [Bos taurus]" 95.56 172 99.42 100.00 5.99e-122 TPG DAA25240 "TPA: tumor protein, translationally-controlled 1-like [Bos taurus]" 59.44 126 100.00 100.00 9.60e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TCTP Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $TCTP 'recombinant technology' . Escherichia coli . pET22b 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TCTP . mM 1.0 2.0 '[U-13C; U-15N]' 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 200 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' DSS 0.01 % . . 'natural abundance' 'sodium azide' 0.01 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CBCA)(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCA)(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)CCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-COSY' _Sample_label $sample_1 save_ save_3D_H(C)CH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(C)CH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY-HSQC_for_aliphatic_region_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC for aliphatic region' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY-HSQC_for_aromatic_region_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC for aromatic region' _Sample_label $sample_1 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' 250 . mM pH 7.8 . pH pressure 1 . atm temperature 308 . 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' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CA)CO' '3D HBHA(CBCA)(CO)NH' '3D (H)CCH-COSY' '3D H(C)CH-TOCSY' '3D (H)CCH-TOCSY' '3D H(C)CH-COSY' '3D 1H-15N NOESY-HSQC' '3D 1H-13C NOESY-HSQC for aliphatic region' '3D 1H-13C NOESY-HSQC for aromatic region' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TCTP _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 HA H 4.23 0.02 1 2 1 1 MET HB2 H 2.13 0.02 2 3 1 1 MET HB3 H 2 0.02 2 4 1 1 MET HG2 H 2.46 0.02 2 5 1 1 MET HG3 H 2.36 0.02 2 6 1 1 MET C C 172.5 0.2 1 7 1 1 MET CA C 55.3 0.2 1 8 1 1 MET CB C 34.6 0.2 1 9 1 1 MET CG C 31 0.2 1 10 2 2 ILE H H 8.69 0.02 1 11 2 2 ILE HA H 4.59 0.02 1 12 2 2 ILE HB H 1.44 0.02 1 13 2 2 ILE HD1 H 0.68 0.02 1 14 2 2 ILE HG12 H 0.91 0.02 2 15 2 2 ILE HG13 H 1.41 0.02 2 16 2 2 ILE HG2 H 0.11 0.02 1 17 2 2 ILE C C 174.5 0.2 1 18 2 2 ILE CA C 59.5 0.2 1 19 2 2 ILE CB C 39.8 0.2 1 20 2 2 ILE CD1 C 12.2 0.2 1 21 2 2 ILE CG1 C 27.7 0.2 1 22 2 2 ILE CG2 C 17.3 0.2 1 23 2 2 ILE N N 127.5 0.2 1 24 3 3 ILE H H 8.56 0.02 1 25 3 3 ILE HA H 4.16 0.02 1 26 3 3 ILE HB H 1.67 0.02 1 27 3 3 ILE HD1 H 0.75 0.02 1 28 3 3 ILE HG12 H 1.39 0.02 2 29 3 3 ILE HG13 H 1.05 0.02 2 30 3 3 ILE HG2 H 0.74 0.02 1 31 3 3 ILE CA C 59.2 0.2 1 32 3 3 ILE CB C 39.9 0.2 1 33 3 3 ILE CD1 C 12.7 0.2 1 34 3 3 ILE CG1 C 28.2 0.2 1 35 3 3 ILE CG2 C 17.7 0.2 1 36 3 3 ILE N N 124.4 0.2 1 37 4 4 TYR H H 8.4 0.02 1 38 4 4 TYR HA H 4.59 0.02 1 39 4 4 TYR HB2 H 1.7 0.02 2 40 4 4 TYR HB3 H 1.1 0.02 2 41 4 4 TYR HD1 H 6.2 0.02 1 42 4 4 TYR HD2 H 6.2 0.02 1 43 4 4 TYR HE1 H 6.38 0.02 1 44 4 4 TYR HE2 H 6.38 0.02 1 45 4 4 TYR C C 174.8 0.2 1 46 4 4 TYR CA C 56.5 0.2 1 47 4 4 TYR CB C 37.9 0.2 1 48 4 4 TYR CD1 C 133.3 0.2 1 49 4 4 TYR CD2 C 133.3 0.2 1 50 4 4 TYR CE1 C 116.8 0.2 1 51 4 4 TYR CE2 C 116.8 0.2 1 52 4 4 TYR N N 125.1 0.2 1 53 5 5 ARG H H 9.06 0.02 1 54 5 5 ARG HA H 5 0.02 1 55 5 5 ARG HB2 H 1.5 0.02 2 56 5 5 ARG HB3 H 1.31 0.02 2 57 5 5 ARG HD2 H 3.01 0.02 1 58 5 5 ARG HD3 H 2.94 0.02 1 59 5 5 ARG HE H 7.66 0.02 1 60 5 5 ARG HG2 H 1.18 0.02 2 61 5 5 ARG HG3 H 1.32 0.02 2 62 5 5 ARG C C 175.3 0.2 1 63 5 5 ARG CA C 53.5 0.2 1 64 5 5 ARG CB C 33.6 0.2 1 65 5 5 ARG CD C 42.7 0.2 1 66 5 5 ARG CG C 28.2 0.2 1 67 5 5 ARG N N 121.8 0.2 1 68 5 5 ARG NE N 84.1 0.2 1 69 6 6 ASP H H 8.78 0.02 1 70 6 6 ASP HA H 4.54 0.02 1 71 6 6 ASP HB2 H 3.29 0.02 2 72 6 6 ASP HB3 H 3.09 0.02 2 73 6 6 ASP C C 177.8 0.2 1 74 6 6 ASP CA C 54.2 0.2 1 75 6 6 ASP CB C 43.2 0.2 1 76 6 6 ASP N N 123.3 0.2 1 77 7 7 LEU H H 8.57 0.02 1 78 7 7 LEU HA H 3.96 0.02 1 79 7 7 LEU HB2 H 1.33 0.02 2 80 7 7 LEU HB3 H 1.45 0.02 2 81 7 7 LEU HD1 H 0.87 0.02 2 82 7 7 LEU HD2 H 0.87 0.02 2 83 7 7 LEU HG H 0.85 0.02 1 84 7 7 LEU C C 175.8 0.2 1 85 7 7 LEU CA C 57.5 0.2 1 86 7 7 LEU CB C 44.2 0.2 1 87 7 7 LEU CD1 C 24.3 0.2 2 88 7 7 LEU CD2 C 24.3 0.2 2 89 7 7 LEU CG C 26.3 0.2 1 90 7 7 LEU N N 129.5 0.2 1 91 8 8 ILE H H 8.57 0.02 1 92 8 8 ILE HA H 3.88 0.02 1 93 8 8 ILE HB H 2.18 0.02 1 94 8 8 ILE HD1 H 0.7 0.02 1 95 8 8 ILE HG12 H 1.39 0.02 2 96 8 8 ILE HG13 H 1.6 0.02 2 97 8 8 ILE HG2 H 0.71 0.02 1 98 8 8 ILE C C 177 0.2 1 99 8 8 ILE CA C 61.5 0.2 1 100 8 8 ILE CB C 37.5 0.2 1 101 8 8 ILE CD1 C 11.2 0.2 1 102 8 8 ILE CG1 C 27.2 0.2 1 103 8 8 ILE CG2 C 16 0.2 1 104 8 8 ILE N N 115.4 0.2 1 105 9 9 SER H H 7.7 0.02 1 106 9 9 SER HA H 4.27 0.02 1 107 9 9 SER HB2 H 3.62 0.02 1 108 9 9 SER HB3 H 3.62 0.02 1 109 9 9 SER C C 175.3 0.2 1 110 9 9 SER CA C 59.2 0.2 1 111 9 9 SER CB C 66.5 0.2 1 112 9 9 SER N N 112.2 0.2 1 113 10 10 HIS H H 8.41 0.02 1 114 10 10 HIS HA H 4.39 0.02 1 115 10 10 HIS HB2 H 3.58 0.02 2 116 10 10 HIS HB3 H 3.51 0.02 2 117 10 10 HIS HD2 H 7 0.02 1 118 10 10 HIS C C 173.8 0.2 1 119 10 10 HIS CA C 57.7 0.2 1 120 10 10 HIS CB C 27.3 0.2 1 121 10 10 HIS N N 115.7 0.2 1 122 11 11 ASP H H 7.97 0.02 1 123 11 11 ASP HA H 4.79 0.02 1 124 11 11 ASP HB2 H 2.83 0.02 2 125 11 11 ASP HB3 H 2.54 0.02 2 126 11 11 ASP C C 176.6 0.2 1 127 11 11 ASP CA C 55.2 0.2 1 128 11 11 ASP CB C 42.2 0.2 1 129 11 11 ASP N N 120.2 0.2 1 130 12 12 GLU H H 8.94 0.02 1 131 12 12 GLU HA H 3.89 0.02 1 132 12 12 GLU HB2 H 2.09 0.02 2 133 12 12 GLU HB3 H 2.22 0.02 2 134 12 12 GLU HG2 H 2.41 0.02 2 135 12 12 GLU HG3 H 2.16 0.02 2 136 12 12 GLU C C 174.4 0.2 1 137 12 12 GLU CA C 58 0.2 1 138 12 12 GLU CB C 31 0.2 1 139 12 12 GLU CG C 36.9 0.2 1 140 12 12 GLU N N 122.4 0.2 1 141 13 13 MET H H 8.68 0.02 1 142 13 13 MET HA H 5.08 0.02 1 143 13 13 MET HB2 H 2.04 0.02 2 144 13 13 MET HB3 H 1.53 0.02 2 145 13 13 MET HE H 2.32 0.02 1 146 13 13 MET HG2 H 2.6 0.02 2 147 13 13 MET HG3 H 2.5 0.02 2 148 13 13 MET C C 172.2 0.2 1 149 13 13 MET CA C 55.5 0.2 1 150 13 13 MET CB C 34.1 0.2 1 151 13 13 MET CE C 18.6 0.2 1 152 13 13 MET CG C 33.4 0.2 1 153 13 13 MET N N 121.9 0.2 1 154 14 14 PHE H H 6.71 0.02 1 155 14 14 PHE HA H 3.2 0.02 1 156 14 14 PHE HB2 H 3.49 0.02 2 157 14 14 PHE HB3 H 2.58 0.02 2 158 14 14 PHE HD1 H 6.23 0.02 1 159 14 14 PHE HD2 H 6.23 0.02 1 160 14 14 PHE HE1 H 5.64 0.02 1 161 14 14 PHE HE2 H 5.64 0.02 1 162 14 14 PHE HZ H 5.8 0.02 1 163 14 14 PHE C C 172.3 0.2 1 164 14 14 PHE CA C 55.8 0.2 1 165 14 14 PHE CB C 36.7 0.2 1 166 14 14 PHE CD1 C 132.1 0.2 1 167 14 14 PHE CD2 C 132.1 0.2 1 168 14 14 PHE CE1 C 129.5 0.2 1 169 14 14 PHE CE2 C 129.5 0.2 1 170 14 14 PHE CZ C 127.3 0.2 1 171 14 14 PHE N N 102.2 0.2 1 172 15 15 SER H H 7.23 0.02 1 173 15 15 SER HA H 5.62 0.02 1 174 15 15 SER HB2 H 3.89 0.02 2 175 15 15 SER HB3 H 4.24 0.02 2 176 15 15 SER C C 173.3 0.2 1 177 15 15 SER CA C 56 0.2 1 178 15 15 SER CB C 66.9 0.2 1 179 15 15 SER N N 112.9 0.2 1 180 16 16 ASP H H 8.73 0.02 1 181 16 16 ASP HA H 4.88 0.02 1 182 16 16 ASP HB2 H 3.29 0.02 2 183 16 16 ASP HB3 H 2.6 0.02 2 184 16 16 ASP C C 176.5 0.2 1 185 16 16 ASP CA C 53.9 0.2 1 186 16 16 ASP CB C 40.1 0.2 1 187 16 16 ASP N N 116.2 0.2 1 188 17 17 ILE H H 7.16 0.02 1 189 17 17 ILE HA H 4.18 0.02 1 190 17 17 ILE HB H 1.65 0.02 1 191 17 17 ILE HD1 H 0.56 0.02 1 192 17 17 ILE HG12 H 0.05 0.02 2 193 17 17 ILE HG13 H 0.71 0.02 2 194 17 17 ILE HG2 H 0.68 0.02 1 195 17 17 ILE C C 175.8 0.2 1 196 17 17 ILE CA C 62.4 0.2 1 197 17 17 ILE CB C 37.7 0.2 1 198 17 17 ILE CD1 C 13.5 0.2 1 199 17 17 ILE CG1 C 24.8 0.2 1 200 17 17 ILE CG2 C 17 0.2 1 201 17 17 ILE N N 112.1 0.2 1 202 18 18 TYR H H 6.49 0.02 1 203 18 18 TYR HA H 4.74 0.02 1 204 18 18 TYR HB2 H 3.68 0.02 2 205 18 18 TYR HB3 H 2.32 0.02 2 206 18 18 TYR HD1 H 7.43 0.02 1 207 18 18 TYR HD2 H 7.43 0.02 1 208 18 18 TYR HE1 H 7.01 0.02 1 209 18 18 TYR HE2 H 7.01 0.02 1 210 18 18 TYR C C 174.4 0.2 1 211 18 18 TYR CA C 55.7 0.2 1 212 18 18 TYR CB C 40.9 0.2 1 213 18 18 TYR CD1 C 133.5 0.2 1 214 18 18 TYR CD2 C 133.5 0.2 1 215 18 18 TYR CE1 C 118.3 0.2 1 216 18 18 TYR CE2 C 118.3 0.2 1 217 18 18 TYR N N 120.6 0.2 1 218 19 19 LYS H H 8.2 0.02 1 219 19 19 LYS HA H 4.34 0.02 1 220 19 19 LYS HB2 H 1.82 0.02 1 221 19 19 LYS HB3 H 1.82 0.02 1 222 19 19 LYS HD2 H 1.68 0.02 1 223 19 19 LYS HD3 H 1.68 0.02 1 224 19 19 LYS HE2 H 2.96 0.02 1 225 19 19 LYS HE3 H 2.96 0.02 1 226 19 19 LYS HG2 H 1.35 0.02 1 227 19 19 LYS HG3 H 1.35 0.02 1 228 19 19 LYS C C 175.5 0.2 1 229 19 19 LYS CA C 57 0.2 1 230 19 19 LYS CB C 32.6 0.2 1 231 19 19 LYS CD C 29.3 0.2 1 232 19 19 LYS CE C 41.8 0.2 1 233 19 19 LYS CG C 24.8 0.2 1 234 19 19 LYS N N 120.8 0.2 1 235 20 20 ILE H H 8.29 0.02 1 236 20 20 ILE HA H 4.94 0.02 1 237 20 20 ILE HB H 1.59 0.02 1 238 20 20 ILE HD1 H 1.06 0.02 1 239 20 20 ILE HG12 H 0.81 0.02 2 240 20 20 ILE HG13 H 1.7 0.02 2 241 20 20 ILE HG2 H 0.73 0.02 1 242 20 20 ILE C C 175.7 0.2 1 243 20 20 ILE CA C 60.5 0.2 1 244 20 20 ILE CB C 41.6 0.2 1 245 20 20 ILE CD1 C 14.6 0.2 1 246 20 20 ILE CG1 C 28.2 0.2 1 247 20 20 ILE CG2 C 18.5 0.2 1 248 20 20 ILE N N 127.8 0.2 1 249 21 21 ARG H H 9.01 0.02 1 250 21 21 ARG HA H 4.79 0.02 1 251 21 21 ARG HB2 H 1.76 0.02 2 252 21 21 ARG HB3 H 1.73 0.02 2 253 21 21 ARG HD2 H 3.08 0.02 1 254 21 21 ARG HD3 H 3.08 0.02 1 255 21 21 ARG HG2 H 1.44 0.02 2 256 21 21 ARG HG3 H 1.56 0.02 2 257 21 21 ARG C C 174.2 0.2 1 258 21 21 ARG CA C 54.2 0.2 1 259 21 21 ARG CB C 33.9 0.2 1 260 21 21 ARG CD C 43.4 0.2 1 261 21 21 ARG CG C 26.8 0.2 1 262 21 21 ARG N N 126 0.2 1 263 22 22 GLU H H 8.69 0.02 1 264 22 22 GLU HA H 4.87 0.02 1 265 22 22 GLU HB2 H 1.9 0.02 1 266 22 22 GLU HB3 H 1.9 0.02 1 267 22 22 GLU HG2 H 2.05 0.02 2 268 22 22 GLU HG3 H 2.27 0.02 2 269 22 22 GLU C C 176.3 0.2 1 270 22 22 GLU CA C 56.1 0.2 1 271 22 22 GLU CB C 31 0.2 1 272 22 22 GLU CG C 36.9 0.2 1 273 22 22 GLU N N 123 0.2 1 274 23 23 ILE H H 8.44 0.02 1 275 23 23 ILE HA H 4.74 0.02 1 276 23 23 ILE HB H 1.92 0.02 1 277 23 23 ILE HD1 H 0.77 0.02 1 278 23 23 ILE HG12 H 0.99 0.02 2 279 23 23 ILE HG13 H 1.29 0.02 2 280 23 23 ILE HG2 H 0.7 0.02 1 281 23 23 ILE C C 175.5 0.2 1 282 23 23 ILE CA C 59.5 0.2 1 283 23 23 ILE CB C 42.3 0.2 1 284 23 23 ILE CD1 C 13.4 0.2 1 285 23 23 ILE CG1 C 27.3 0.2 1 286 23 23 ILE CG2 C 17.7 0.2 1 287 23 23 ILE N N 117.5 0.2 1 288 24 24 ALA H H 8.86 0.02 1 289 24 24 ALA HA H 4.03 0.02 1 290 24 24 ALA HB H 1.28 0.02 1 291 24 24 ALA C C 178 0.2 1 292 24 24 ALA CA C 52.6 0.2 1 293 24 24 ALA CB C 16.6 0.2 1 294 24 24 ALA N N 122.2 0.2 1 295 25 25 ASP H H 8.76 0.02 1 296 25 25 ASP HA H 4.28 0.02 1 297 25 25 ASP HB2 H 3.03 0.02 2 298 25 25 ASP HB3 H 2.59 0.02 2 299 25 25 ASP C C 176.5 0.2 1 300 25 25 ASP CA C 55.3 0.2 1 301 25 25 ASP CB C 39.6 0.2 1 302 25 25 ASP N N 117.1 0.2 1 303 26 26 GLY H H 7.63 0.02 1 304 26 26 GLY HA2 H 4.27 0.02 2 305 26 26 GLY HA3 H 3.6 0.02 2 306 26 26 GLY C C 173.8 0.2 1 307 26 26 GLY CA C 45.3 0.2 1 308 26 26 GLY N N 104.7 0.2 1 309 27 27 LEU H H 7.8 0.02 1 310 27 27 LEU HA H 4.28 0.02 1 311 27 27 LEU HB2 H 2.04 0.02 1 312 27 27 LEU HB3 H 2.04 0.02 1 313 27 27 LEU HD1 H 1.27 0.02 2 314 27 27 LEU HD2 H 0.93 0.02 2 315 27 27 LEU HG H 2.2 0.02 1 316 27 27 LEU C C 179.2 0.2 1 317 27 27 LEU CA C 56.8 0.2 1 318 27 27 LEU CB C 44.1 0.2 1 319 27 27 LEU CD1 C 24.9 0.2 2 320 27 27 LEU CD2 C 26.6 0.2 2 321 27 27 LEU CG C 26.7 0.2 1 322 27 27 LEU N N 119.3 0.2 1 323 28 28 CYS H H 7.8 0.02 1 324 28 28 CYS HA H 5.43 0.02 1 325 28 28 CYS HB2 H 2.83 0.02 2 326 28 28 CYS HB3 H 2.2 0.02 2 327 28 28 CYS C C 172.3 0.2 1 328 28 28 CYS CA C 56.5 0.2 1 329 28 28 CYS CB C 32.5 0.2 1 330 28 28 CYS N N 110.9 0.2 1 331 29 29 LEU H H 8.71 0.02 1 332 29 29 LEU HA H 5 0.02 1 333 29 29 LEU HB2 H 1.34 0.02 2 334 29 29 LEU HB3 H 1.01 0.02 2 335 29 29 LEU HD1 H 0.81 0.02 2 336 29 29 LEU HD2 H 0.75 0.02 2 337 29 29 LEU HG H 1.35 0.02 1 338 29 29 LEU C C 174.5 0.2 1 339 29 29 LEU CA C 53.3 0.2 1 340 29 29 LEU CB C 44.1 0.2 1 341 29 29 LEU CD1 C 23.8 0.2 2 342 29 29 LEU CD2 C 26.3 0.2 2 343 29 29 LEU CG C 27.6 0.2 1 344 29 29 LEU N N 120.2 0.2 1 345 30 30 GLU H H 9.17 0.02 1 346 30 30 GLU HA H 5.17 0.02 1 347 30 30 GLU HB2 H 1.89 0.02 2 348 30 30 GLU HB3 H 1.75 0.02 2 349 30 30 GLU HG2 H 2.1 0.02 2 350 30 30 GLU HG3 H 1.88 0.02 2 351 30 30 GLU C C 175.4 0.2 1 352 30 30 GLU CA C 53.9 0.2 1 353 30 30 GLU CB C 33 0.2 1 354 30 30 GLU CG C 37.7 0.2 1 355 30 30 GLU N N 122.5 0.2 1 356 31 31 VAL H H 9.52 0.02 1 357 31 31 VAL HA H 4.48 0.02 1 358 31 31 VAL HB H 1.54 0.02 1 359 31 31 VAL HG1 H 0.37 0.02 2 360 31 31 VAL HG2 H 0 0.02 2 361 31 31 VAL C C 174.7 0.2 1 362 31 31 VAL CA C 61 0.2 1 363 31 31 VAL CB C 33.6 0.2 1 364 31 31 VAL CG1 C 21.6 0.2 2 365 31 31 VAL CG2 C 20.3 0.2 2 366 31 31 VAL N N 129.1 0.2 1 367 32 32 GLU H H 8.83 0.02 1 368 32 32 GLU HA H 4.49 0.02 1 369 32 32 GLU HB2 H 2.19 0.02 2 370 32 32 GLU HB3 H 2.03 0.02 2 371 32 32 GLU HG2 H 2.36 0.02 2 372 32 32 GLU HG3 H 2.21 0.02 2 373 32 32 GLU C C 175.9 0.2 1 374 32 32 GLU CA C 57 0.2 1 375 32 32 GLU CB C 32.4 0.2 1 376 32 32 GLU CG C 38.3 0.2 1 377 32 32 GLU N N 128.6 0.2 1 378 33 33 GLY H H 8.3 0.02 1 379 33 33 GLY HA2 H 3.47 0.02 2 380 33 33 GLY HA3 H 5 0.02 2 381 33 33 GLY C C 171.8 0.2 1 382 33 33 GLY CA C 44.4 0.2 1 383 33 33 GLY N N 115.5 0.2 1 384 34 34 LYS H H 9.06 0.02 1 385 34 34 LYS HA H 4.63 0.02 1 386 34 34 LYS HB2 H 1.75 0.02 1 387 34 34 LYS HB3 H 1.75 0.02 1 388 34 34 LYS HD2 H 1.72 0.02 1 389 34 34 LYS HD3 H 1.72 0.02 1 390 34 34 LYS HE2 H 3.07 0.02 1 391 34 34 LYS HE3 H 3.07 0.02 1 392 34 34 LYS HG2 H 1.56 0.02 2 393 34 34 LYS HG3 H 1.47 0.02 2 394 34 34 LYS C C 175.3 0.2 1 395 34 34 LYS CA C 55.2 0.2 1 396 34 34 LYS CB C 36.7 0.2 1 397 34 34 LYS CD C 29.2 0.2 1 398 34 34 LYS CE C 41.9 0.2 1 399 34 34 LYS CG C 24.7 0.2 1 400 34 34 LYS N N 119.7 0.2 1 401 35 35 MET H H 8.61 0.02 1 402 35 35 MET HA H 5.14 0.02 1 403 35 35 MET HB2 H 2.06 0.02 1 404 35 35 MET HB3 H 2.06 0.02 1 405 35 35 MET HG2 H 2.66 0.02 2 406 35 35 MET HG3 H 2.82 0.02 2 407 35 35 MET C C 176.6 0.2 1 408 35 35 MET CA C 54.4 0.2 1 409 35 35 MET CB C 30.6 0.2 1 410 35 35 MET CG C 31.7 0.2 1 411 35 35 MET N N 121 0.2 1 412 36 36 VAL H H 9.2 0.02 1 413 36 36 VAL HA H 4.61 0.02 1 414 36 36 VAL HB H 2.1 0.02 1 415 36 36 VAL HG1 H 0.92 0.02 2 416 36 36 VAL HG2 H 0.81 0.02 2 417 36 36 VAL C C 174.6 0.2 1 418 36 36 VAL CA C 60.1 0.2 1 419 36 36 VAL CB C 35.4 0.2 1 420 36 36 VAL CG1 C 21.8 0.2 2 421 36 36 VAL CG2 C 19.4 0.2 2 422 36 36 VAL N N 121.7 0.2 1 423 37 37 SER H H 8.36 0.02 1 424 37 37 SER HA H 5.19 0.02 1 425 37 37 SER HB2 H 3.7 0.02 1 426 37 37 SER HB3 H 3.7 0.02 1 427 37 37 SER C C 174.1 0.2 1 428 37 37 SER CA C 57.2 0.2 1 429 37 37 SER CB C 64.6 0.2 1 430 37 37 SER N N 117.1 0.2 1 431 38 38 ARG H H 8.89 0.02 1 432 38 38 ARG HA H 4.66 0.02 1 433 38 38 ARG HB2 H 1.87 0.02 2 434 38 38 ARG HB3 H 1.68 0.02 2 435 38 38 ARG HD2 H 3.15 0.02 1 436 38 38 ARG HD3 H 3.15 0.02 1 437 38 38 ARG HG2 H 1.54 0.02 1 438 38 38 ARG HG3 H 1.54 0.02 1 439 38 38 ARG C C 175.2 0.2 1 440 38 38 ARG CA C 55.2 0.2 1 441 38 38 ARG CB C 32.6 0.2 1 442 38 38 ARG CD C 43.8 0.2 1 443 38 38 ARG CG C 27.1 0.2 1 444 38 38 ARG N N 123.6 0.2 1 445 39 39 THR H H 8.39 0.02 1 446 39 39 THR HA H 4.6 0.02 1 447 39 39 THR HB H 4.19 0.02 1 448 39 39 THR HG2 H 1.18 0.02 1 449 39 39 THR C C 174.5 0.2 1 450 39 39 THR CA C 61.4 0.2 1 451 39 39 THR CB C 69.8 0.2 1 452 39 39 THR CG2 C 21 0.2 1 453 39 39 THR N N 115.7 0.2 1 454 40 40 GLU H H 8.57 0.02 1 455 40 40 GLU HA H 4.35 0.02 1 456 40 40 GLU HB2 H 2.07 0.02 2 457 40 40 GLU HB3 H 1.94 0.02 2 458 40 40 GLU HG2 H 2.25 0.02 1 459 40 40 GLU HG3 H 2.25 0.02 1 460 40 40 GLU C C 176.5 0.2 1 461 40 40 GLU CA C 56.5 0.2 1 462 40 40 GLU CB C 30.9 0.2 1 463 40 40 GLU CG C 36.3 0.2 1 464 40 40 GLU N N 124.1 0.2 1 465 41 41 GLY H H 8.43 0.02 1 466 41 41 GLY HA2 H 3.98 0.02 1 467 41 41 GLY HA3 H 3.98 0.02 1 468 41 41 GLY C C 173.6 0.2 1 469 41 41 GLY CA C 45.2 0.2 1 470 41 41 GLY N N 109.9 0.2 1 471 42 42 ASN H H 8.35 0.02 1 472 42 42 ASN HA H 4.76 0.02 1 473 42 42 ASN HB2 H 2.79 0.02 1 474 42 42 ASN HB3 H 2.79 0.02 1 475 42 42 ASN HD21 H 7.59 0.02 2 476 42 42 ASN HD22 H 6.91 0.02 2 477 42 42 ASN C C 175.2 0.2 1 478 42 42 ASN CA C 53.2 0.2 1 479 42 42 ASN CB C 39 0.2 1 480 42 42 ASN N N 118.8 0.2 1 481 42 42 ASN ND2 N 112.8 0.2 1 482 43 43 ILE H H 8.15 0.02 1 483 43 43 ILE HA H 4.16 0.02 1 484 43 43 ILE HB H 1.88 0.02 1 485 43 43 ILE HD1 H 0.84 0.02 1 486 43 43 ILE HG12 H 1.43 0.02 2 487 43 43 ILE HG13 H 1.18 0.02 2 488 43 43 ILE HG2 H 0.89 0.02 1 489 43 43 ILE C C 175.7 0.2 1 490 43 43 ILE CA C 61.3 0.2 1 491 43 43 ILE CB C 38.9 0.2 1 492 43 43 ILE CD1 C 13.1 0.2 1 493 43 43 ILE CG1 C 27.4 0.2 1 494 43 43 ILE CG2 C 17.5 0.2 1 495 43 43 ILE N N 120.9 0.2 1 496 44 44 ASP H H 8.27 0.02 1 497 44 44 ASP HA H 4.61 0.02 1 498 44 44 ASP HB2 H 2.71 0.02 1 499 44 44 ASP HB3 H 2.71 0.02 1 500 44 44 ASP C C 176.2 0.2 1 501 44 44 ASP CA C 54.3 0.2 1 502 44 44 ASP CB C 41.3 0.2 1 503 44 44 ASP N N 123.6 0.2 1 504 45 45 ASP H H 8.27 0.02 1 505 45 45 ASP HA H 4.55 0.02 1 506 45 45 ASP HB2 H 2.69 0.02 1 507 45 45 ASP HB3 H 2.69 0.02 1 508 45 45 ASP C C 176.8 0.2 1 509 45 45 ASP CA C 54.8 0.2 1 510 45 45 ASP CB C 41.1 0.2 1 511 45 45 ASP N N 122 0.2 1 512 46 46 SER H H 8.35 0.02 1 513 46 46 SER HA H 4.34 0.02 1 514 46 46 SER HB2 H 3.9 0.02 1 515 46 46 SER HB3 H 3.9 0.02 1 516 46 46 SER C C 174.9 0.2 1 517 46 46 SER CA C 59.4 0.2 1 518 46 46 SER CB C 63.5 0.2 1 519 46 46 SER N N 115.7 0.2 1 520 47 47 LEU H H 8.03 0.02 1 521 47 47 LEU HA H 4.37 0.02 1 522 47 47 LEU HB2 H 1.61 0.02 2 523 47 47 LEU HB3 H 1.7 0.02 2 524 47 47 LEU HD1 H 0.92 0.02 2 525 47 47 LEU HD2 H 0.84 0.02 2 526 47 47 LEU HG H 1.61 0.02 1 527 47 47 LEU C C 177.5 0.2 1 528 47 47 LEU CA C 55.4 0.2 1 529 47 47 LEU CB C 42.1 0.2 1 530 47 47 LEU CD1 C 25 0.2 2 531 47 47 LEU CD2 C 23.3 0.2 2 532 47 47 LEU CG C 26.8 0.2 1 533 47 47 LEU N N 122.8 0.2 1 534 48 48 ILE H H 7.86 0.02 1 535 48 48 ILE HA H 4.16 0.02 1 536 48 48 ILE HB H 1.9 0.02 1 537 48 48 ILE HD1 H 0.84 0.02 1 538 48 48 ILE HG12 H 1.47 0.02 2 539 48 48 ILE HG13 H 1.18 0.02 2 540 48 48 ILE HG2 H 0.89 0.02 1 541 48 48 ILE C C 176.8 0.2 1 542 48 48 ILE CA C 61.3 0.2 1 543 48 48 ILE CB C 38.4 0.2 1 544 48 48 ILE CD1 C 12.9 0.2 1 545 48 48 ILE CG1 C 27.4 0.2 1 546 48 48 ILE CG2 C 17.5 0.2 1 547 48 48 ILE N N 120.1 0.2 1 548 49 49 GLY H H 8.38 0.02 1 549 49 49 GLY HA2 H 3.98 0.02 1 550 49 49 GLY HA3 H 3.98 0.02 1 551 49 49 GLY C C 174.7 0.2 1 552 49 49 GLY CA C 45.4 0.2 1 553 49 49 GLY N N 112.2 0.2 1 554 50 50 GLY H H 8.21 0.02 1 555 50 50 GLY HA2 H 3.97 0.02 1 556 50 50 GLY HA3 H 3.97 0.02 1 557 50 50 GLY C C 174 0.2 1 558 50 50 GLY CA C 45.4 0.2 1 559 50 50 GLY N N 108.4 0.2 1 560 51 51 ASN HA H 4.73 0.02 1 561 51 51 ASN HB2 H 2.83 0.02 2 562 51 51 ASN HB3 H 2.74 0.02 2 563 51 51 ASN CA C 53.3 0.2 1 564 51 51 ASN CB C 39 0.2 1 565 52 52 ALA H H 8.3 0.02 1 566 52 52 ALA HA H 4.34 0.02 1 567 52 52 ALA HB H 1.41 0.02 1 568 52 52 ALA C C 177.7 0.2 1 569 52 52 ALA CA C 52.8 0.2 1 570 52 52 ALA CB C 19.2 0.2 1 571 52 52 ALA N N 124.4 0.2 1 572 53 53 SER H H 8.23 0.02 1 573 53 53 SER HA H 4.43 0.02 1 574 53 53 SER HB2 H 3.88 0.02 1 575 53 53 SER HB3 H 3.88 0.02 1 576 53 53 SER C C 174.3 0.2 1 577 53 53 SER CA C 58.2 0.2 1 578 53 53 SER CB C 63.7 0.2 1 579 53 53 SER N N 114.6 0.2 1 580 54 54 ALA H H 8.25 0.02 1 581 54 54 ALA HA H 4.35 0.02 1 582 54 54 ALA HB H 1.41 0.02 1 583 54 54 ALA C C 177.5 0.2 1 584 54 54 ALA CA C 52.6 0.2 1 585 54 54 ALA CB C 19.4 0.2 1 586 54 54 ALA N N 125.8 0.2 1 587 55 55 GLU H H 8.27 0.02 1 588 55 55 GLU HA H 4.33 0.02 1 589 55 55 GLU HB2 H 2.09 0.02 2 590 55 55 GLU HB3 H 1.93 0.02 2 591 55 55 GLU HG2 H 2.26 0.02 1 592 55 55 GLU HG3 H 2.25 0.02 1 593 55 55 GLU C C 176.5 0.2 1 594 55 55 GLU CA C 56.4 0.2 1 595 55 55 GLU CB C 30.5 0.2 1 596 55 55 GLU CG C 36.4 0.2 1 597 55 55 GLU N N 119.2 0.2 1 598 56 56 GLY H H 8.13 0.02 1 599 56 56 GLY HA2 H 4.11 0.02 1 600 56 56 GLY HA3 H 4.11 0.02 1 601 56 56 GLY C C 172 0.2 1 602 56 56 GLY CA C 44.7 0.2 1 603 56 56 GLY N N 109.5 0.2 1 604 57 57 PRO HA H 4.43 0.02 1 605 57 57 PRO HB2 H 2.28 0.02 2 606 57 57 PRO HB3 H 1.95 0.02 2 607 57 57 PRO HD2 H 3.65 0.02 1 608 57 57 PRO HD3 H 3.62 0.02 1 609 57 57 PRO HG2 H 2.02 0.02 1 610 57 57 PRO HG3 H 2.02 0.02 1 611 57 57 PRO C C 177.3 0.2 1 612 57 57 PRO CA C 63.4 0.2 1 613 57 57 PRO CB C 32.1 0.2 1 614 57 57 PRO CD C 49.8 0.2 1 615 57 57 PRO CG C 27.2 0.2 1 616 58 58 GLU H H 8.6 0.02 1 617 58 58 GLU HA H 4.28 0.02 1 618 58 58 GLU HB2 H 2.07 0.02 2 619 58 58 GLU HB3 H 1.98 0.02 2 620 58 58 GLU HG2 H 2.27 0.02 1 621 58 58 GLU HG3 H 2.27 0.02 1 622 58 58 GLU C C 177.1 0.2 1 623 58 58 GLU CA C 56.9 0.2 1 624 58 58 GLU CB C 30 0.2 1 625 58 58 GLU CG C 36.4 0.2 1 626 58 58 GLU N N 120.5 0.2 1 627 59 59 GLY H H 8.27 0.02 1 628 59 59 GLY HA2 H 3.98 0.02 1 629 59 59 GLY HA3 H 3.98 0.02 1 630 59 59 GLY C C 174.1 0.2 1 631 59 59 GLY CA C 45.3 0.2 1 632 59 59 GLY N N 109.5 0.2 1 633 60 60 GLU H H 8.28 0.02 1 634 60 60 GLU HA H 4.33 0.02 1 635 60 60 GLU HB2 H 2.09 0.02 2 636 60 60 GLU HB3 H 1.94 0.02 2 637 60 60 GLU HG2 H 2.25 0.02 1 638 60 60 GLU HG3 H 2.25 0.02 1 639 60 60 GLU C C 177.1 0.2 1 640 60 60 GLU CA C 56.5 0.2 1 641 60 60 GLU CB C 30.4 0.2 1 642 60 60 GLU CG C 36.4 0.2 1 643 60 60 GLU N N 120.7 0.2 1 644 61 61 GLY H H 8.53 0.02 1 645 61 61 GLY HA2 H 4.04 0.02 1 646 61 61 GLY HA3 H 4.04 0.02 1 647 61 61 GLY C C 174.5 0.2 1 648 61 61 GLY CA C 45.4 0.2 1 649 61 61 GLY N N 110 0.2 1 650 62 62 THR H H 8.03 0.02 1 651 62 62 THR HA H 4.36 0.02 1 652 62 62 THR HB H 4.25 0.02 1 653 62 62 THR HG2 H 1.19 0.02 1 654 62 62 THR C C 174.8 0.2 1 655 62 62 THR CA C 61.8 0.2 1 656 62 62 THR CB C 69.7 0.2 1 657 62 62 THR CG2 C 21.6 0.2 1 658 62 62 THR N N 113.2 0.2 1 659 63 63 GLU H H 8.56 0.02 1 660 63 63 GLU HA H 4.37 0.02 1 661 63 63 GLU HB2 H 2.09 0.02 2 662 63 63 GLU HB3 H 1.98 0.02 2 663 63 63 GLU HG2 H 2.27 0.02 1 664 63 63 GLU HG3 H 2.27 0.02 1 665 63 63 GLU C C 176.4 0.2 1 666 63 63 GLU CA C 56.6 0.2 1 667 63 63 GLU CB C 30.3 0.2 1 668 63 63 GLU CG C 36.4 0.2 1 669 63 63 GLU N N 123.1 0.2 1 670 64 64 SER H H 8.31 0.02 1 671 64 64 SER HA H 4.57 0.02 1 672 64 64 SER HB2 H 3.84 0.02 1 673 64 64 SER HB3 H 3.84 0.02 1 674 64 64 SER C C 174.4 0.2 1 675 64 64 SER CA C 58.3 0.2 1 676 64 64 SER CB C 64.1 0.2 1 677 64 64 SER N N 116.8 0.2 1 678 65 65 THR H H 8.32 0.02 1 679 65 65 THR HA H 4.38 0.02 1 680 65 65 THR HB H 4.18 0.02 1 681 65 65 THR HG2 H 1.18 0.02 1 682 65 65 THR C C 173.8 0.2 1 683 65 65 THR CA C 62 0.2 1 684 65 65 THR CB C 69.8 0.2 1 685 65 65 THR CG2 C 21.6 0.2 1 686 65 65 THR N N 117.3 0.2 1 687 66 66 VAL H H 8.17 0.02 1 688 66 66 VAL HA H 4.34 0.02 1 689 66 66 VAL HB H 1.97 0.02 1 690 66 66 VAL HG1 H 0.85 0.02 2 691 66 66 VAL HG2 H 0.9 0.02 2 692 66 66 VAL C C 175.5 0.2 1 693 66 66 VAL CA C 61.9 0.2 1 694 66 66 VAL CB C 33.1 0.2 1 695 66 66 VAL CG1 C 21 0.2 2 696 66 66 VAL CG2 C 21 0.2 2 697 66 66 VAL N N 123.7 0.2 1 698 67 67 ILE H H 8.66 0.02 1 699 67 67 ILE HA H 4.38 0.02 1 700 67 67 ILE HB H 1.83 0.02 1 701 67 67 ILE HD1 H 0.83 0.02 1 702 67 67 ILE HG12 H 1.46 0.02 2 703 67 67 ILE HG13 H 1.18 0.02 2 704 67 67 ILE HG2 H 0.9 0.02 1 705 67 67 ILE C C 175.4 0.2 1 706 67 67 ILE CA C 60.1 0.2 1 707 67 67 ILE CB C 39.4 0.2 1 708 67 67 ILE CD1 C 12.6 0.2 1 709 67 67 ILE CG1 C 27.1 0.2 1 710 67 67 ILE CG2 C 17.6 0.2 1 711 67 67 ILE N N 126.6 0.2 1 712 68 68 THR H H 8.29 0.02 1 713 68 68 THR HA H 5.21 0.02 1 714 68 68 THR HB H 4.01 0.02 1 715 68 68 THR HG2 H 1.13 0.02 1 716 68 68 THR C C 174.4 0.2 1 717 68 68 THR CA C 60.2 0.2 1 718 68 68 THR CB C 71 0.2 1 719 68 68 THR CG2 C 21.5 0.2 1 720 68 68 THR N N 119 0.2 1 721 69 69 GLY H H 8.65 0.02 1 722 69 69 GLY HA2 H 4.28 0.02 2 723 69 69 GLY HA3 H 3.99 0.02 2 724 69 69 GLY C C 170.9 0.2 1 725 69 69 GLY CA C 45.2 0.2 1 726 69 69 GLY N N 111.5 0.2 1 727 70 70 VAL H H 8.73 0.02 1 728 70 70 VAL HA H 4.35 0.02 1 729 70 70 VAL HB H 1.73 0.02 1 730 70 70 VAL HG1 H 0.91 0.02 2 731 70 70 VAL HG2 H 0.84 0.02 2 732 70 70 VAL C C 176.6 0.2 1 733 70 70 VAL CA C 61.8 0.2 1 734 70 70 VAL CB C 33 0.2 1 735 70 70 VAL CG1 C 21.9 0.2 2 736 70 70 VAL CG2 C 20.4 0.2 2 737 70 70 VAL N N 121.7 0.2 1 738 71 71 ASP H H 9.49 0.02 1 739 71 71 ASP HA H 3.86 0.02 1 740 71 71 ASP HB2 H 2.8 0.02 1 741 71 71 ASP HB3 H 2.8 0.02 1 742 71 71 ASP C C 178.3 0.2 1 743 71 71 ASP CA C 58.4 0.2 1 744 71 71 ASP CB C 38 0.2 1 745 71 71 ASP N N 132.1 0.2 1 746 72 72 ILE H H 8.94 0.02 1 747 72 72 ILE HA H 3.67 0.02 1 748 72 72 ILE HB H 1.11 0.02 1 749 72 72 ILE HD1 H 0.2 0.02 1 750 72 72 ILE HG12 H 0 0.02 2 751 72 72 ILE HG13 H 1.21 0.02 2 752 72 72 ILE HG2 H 0.83 0.02 1 753 72 72 ILE C C 177.3 0.2 1 754 72 72 ILE CA C 65 0.2 1 755 72 72 ILE CB C 41 0.2 1 756 72 72 ILE CD1 C 14.9 0.2 1 757 72 72 ILE CG1 C 27 0.2 1 758 72 72 ILE CG2 C 18.2 0.2 1 759 72 72 ILE N N 121.3 0.2 1 760 73 73 VAL H H 6.07 0.02 1 761 73 73 VAL HA H 3.24 0.02 1 762 73 73 VAL HB H 2.05 0.02 1 763 73 73 VAL HG1 H 0.02 0.02 2 764 73 73 VAL HG2 H 0.85 0.02 2 765 73 73 VAL C C 178.7 0.2 1 766 73 73 VAL CA C 65.2 0.2 1 767 73 73 VAL CB C 32.5 0.2 1 768 73 73 VAL CG1 C 21.1 0.2 2 769 73 73 VAL CG2 C 21.1 0.2 2 770 73 73 VAL N N 114.4 0.2 1 771 74 74 MET H H 8 0.02 1 772 74 74 MET HA H 4.04 0.02 1 773 74 74 MET HB2 H 1.98 0.02 2 774 74 74 MET HB3 H 1.9 0.02 2 775 74 74 MET HE H 1.85 0.02 1 776 74 74 MET HG2 H 2.57 0.02 2 777 74 74 MET HG3 H 2.42 0.02 2 778 74 74 MET C C 179.4 0.2 1 779 74 74 MET CA C 58.5 0.2 1 780 74 74 MET CB C 33.5 0.2 1 781 74 74 MET CE C 16.9 0.2 1 782 74 74 MET CG C 31.7 0.2 1 783 74 74 MET N N 116.7 0.2 1 784 75 75 ASN H H 9.22 0.02 1 785 75 75 ASN HA H 4.19 0.02 1 786 75 75 ASN HB2 H 2.63 0.02 2 787 75 75 ASN HB3 H 2.06 0.02 2 788 75 75 ASN HD21 H 7.19 0.02 2 789 75 75 ASN HD22 H 7.75 0.02 2 790 75 75 ASN C C 176.5 0.2 1 791 75 75 ASN CA C 54.7 0.2 1 792 75 75 ASN CB C 37.5 0.2 1 793 75 75 ASN N N 117.2 0.2 1 794 75 75 ASN ND2 N 110.4 0.2 1 795 76 76 HIS H H 7.05 0.02 1 796 76 76 HIS HA H 4.59 0.02 1 797 76 76 HIS HB2 H 3.25 0.02 2 798 76 76 HIS HB3 H 2.85 0.02 2 799 76 76 HIS HE1 H 7.78 0.02 1 800 76 76 HIS C C 172.6 0.2 1 801 76 76 HIS CA C 55 0.2 1 802 76 76 HIS CB C 27.9 0.2 1 803 76 76 HIS CE1 C 132.3 0.2 1 804 76 76 HIS N N 113.7 0.2 1 805 77 77 HIS H H 7.37 0.02 1 806 77 77 HIS HA H 4.34 0.02 1 807 77 77 HIS HB2 H 3.48 0.02 2 808 77 77 HIS HB3 H 3.29 0.02 2 809 77 77 HIS HD2 H 7.13 0.02 1 810 77 77 HIS C C 174.8 0.2 1 811 77 77 HIS CA C 56.2 0.2 1 812 77 77 HIS CB C 26 0.2 1 813 77 77 HIS CD2 C 119.9 0.2 1 814 77 77 HIS N N 114.8 0.2 1 815 78 78 LEU H H 8.19 0.02 1 816 78 78 LEU HA H 4.81 0.02 1 817 78 78 LEU HB2 H 1.82 0.02 2 818 78 78 LEU HB3 H 1.59 0.02 2 819 78 78 LEU HD1 H 0.94 0.02 2 820 78 78 LEU HD2 H 1.22 0.02 2 821 78 78 LEU HG H 1.86 0.02 1 822 78 78 LEU C C 177.1 0.2 1 823 78 78 LEU CA C 55.3 0.2 1 824 78 78 LEU CB C 42.1 0.2 1 825 78 78 LEU CD1 C 25.7 0.2 2 826 78 78 LEU CD2 C 22.9 0.2 2 827 78 78 LEU CG C 27.6 0.2 1 828 78 78 LEU N N 116 0.2 1 829 79 79 GLN H H 9.56 0.02 1 830 79 79 GLN HA H 4.64 0.02 1 831 79 79 GLN HB2 H 2.13 0.02 2 832 79 79 GLN HB3 H 1.78 0.02 2 833 79 79 GLN HE21 H 7.26 0.02 1 834 79 79 GLN HE22 H 6.84 0.02 1 835 79 79 GLN HG2 H 2.54 0.02 1 836 79 79 GLN HG3 H 2.54 0.02 1 837 79 79 GLN C C 175 0.2 1 838 79 79 GLN CA C 53.3 0.2 1 839 79 79 GLN CB C 30.5 0.2 1 840 79 79 GLN CG C 33.1 0.2 1 841 79 79 GLN N N 119.7 0.2 1 842 79 79 GLN NE2 N 114.1 0.2 1 843 80 80 GLU H H 8.7 0.02 1 844 80 80 GLU HA H 3.89 0.02 1 845 80 80 GLU HB2 H 1.72 0.02 1 846 80 80 GLU HB3 H 1.72 0.02 1 847 80 80 GLU HG2 H 1.81 0.02 1 848 80 80 GLU HG3 H 1.81 0.02 1 849 80 80 GLU C C 176.1 0.2 1 850 80 80 GLU CA C 56.5 0.2 1 851 80 80 GLU CB C 29.2 0.2 1 852 80 80 GLU CG C 36.1 0.2 1 853 80 80 GLU N N 126.5 0.2 1 854 81 81 THR H H 8.45 0.02 1 855 81 81 THR HA H 4.62 0.02 1 856 81 81 THR HB H 3.64 0.02 1 857 81 81 THR HG2 H 0.81 0.02 1 858 81 81 THR C C 171.3 0.2 1 859 81 81 THR CA C 59 0.2 1 860 81 81 THR CB C 70.1 0.2 1 861 81 81 THR CG2 C 19.6 0.2 1 862 81 81 THR N N 121 0.2 1 863 82 82 SER H H 7.78 0.02 1 864 82 82 SER HA H 4.82 0.02 1 865 82 82 SER HB2 H 3.66 0.02 1 866 82 82 SER HB3 H 3.66 0.02 1 867 82 82 SER C C 172 0.2 1 868 82 82 SER CA C 57 0.2 1 869 82 82 SER CB C 65 0.2 1 870 82 82 SER N N 116.1 0.2 1 871 83 83 PHE H H 7.86 0.02 1 872 83 83 PHE HA H 4.82 0.02 1 873 83 83 PHE HB2 H 3.36 0.02 2 874 83 83 PHE HB3 H 1.86 0.02 2 875 83 83 PHE HD1 H 6.54 0.02 1 876 83 83 PHE HD2 H 6.54 0.02 1 877 83 83 PHE HE1 H 6.89 0.02 1 878 83 83 PHE HE2 H 6.89 0.02 1 879 83 83 PHE C C 176.6 0.2 1 880 83 83 PHE CA C 58.2 0.2 1 881 83 83 PHE CB C 45.1 0.2 1 882 83 83 PHE CD1 C 130.9 0.2 1 883 83 83 PHE CD2 C 130.9 0.2 1 884 83 83 PHE CE1 C 128.8 0.2 1 885 83 83 PHE CE2 C 128.8 0.2 1 886 83 83 PHE N N 119.8 0.2 1 887 84 84 THR H H 7.51 0.02 1 888 84 84 THR HA H 4.76 0.02 1 889 84 84 THR HB H 4.73 0.02 1 890 84 84 THR HG2 H 1.38 0.02 1 891 84 84 THR C C 175.7 0.2 1 892 84 84 THR CA C 60.1 0.2 1 893 84 84 THR CB C 70.8 0.2 1 894 84 84 THR CG2 C 22 0.2 1 895 84 84 THR N N 109.8 0.2 1 896 85 85 LYS H H 9.01 0.02 1 897 85 85 LYS HA H 2.89 0.02 1 898 85 85 LYS HB2 H 1.47 0.02 2 899 85 85 LYS HB3 H 1.34 0.02 2 900 85 85 LYS HD2 H 1.6 0.02 1 901 85 85 LYS HD3 H 1.6 0.02 1 902 85 85 LYS HE2 H 2.96 0.02 1 903 85 85 LYS HE3 H 2.96 0.02 1 904 85 85 LYS HG2 H 0.73 0.02 1 905 85 85 LYS HG3 H 0.73 0.02 1 906 85 85 LYS C C 178.4 0.2 1 907 85 85 LYS CA C 60.7 0.2 1 908 85 85 LYS CB C 32.1 0.2 1 909 85 85 LYS CD C 29.4 0.2 1 910 85 85 LYS CE C 41.8 0.2 1 911 85 85 LYS CG C 25.5 0.2 1 912 85 85 LYS N N 123.9 0.2 1 913 86 86 GLU H H 8.56 0.02 1 914 86 86 GLU HA H 3.89 0.02 1 915 86 86 GLU HB2 H 2 0.02 1 916 86 86 GLU HB3 H 2 0.02 1 917 86 86 GLU HG2 H 2.33 0.02 1 918 86 86 GLU HG3 H 2.33 0.02 1 919 86 86 GLU C C 179.2 0.2 1 920 86 86 GLU CA C 59.6 0.2 1 921 86 86 GLU CB C 29.1 0.2 1 922 86 86 GLU CG C 36.6 0.2 1 923 86 86 GLU N N 116.2 0.2 1 924 87 87 ALA H H 7.91 0.02 1 925 87 87 ALA HA H 4.28 0.02 1 926 87 87 ALA HB H 1.75 0.02 1 927 87 87 ALA C C 181.3 0.2 1 928 87 87 ALA CA C 54.8 0.2 1 929 87 87 ALA CB C 19.5 0.2 1 930 87 87 ALA N N 122.2 0.2 1 931 88 88 TYR H H 8.96 0.02 1 932 88 88 TYR HA H 3.76 0.02 1 933 88 88 TYR HB2 H 2.82 0.02 2 934 88 88 TYR HB3 H 2.69 0.02 2 935 88 88 TYR HD1 H 6.04 0.02 1 936 88 88 TYR HD2 H 6.04 0.02 1 937 88 88 TYR HE1 H 6.52 0.02 1 938 88 88 TYR HE2 H 6.52 0.02 1 939 88 88 TYR C C 176.2 0.2 1 940 88 88 TYR CA C 62.4 0.2 1 941 88 88 TYR CB C 38.8 0.2 1 942 88 88 TYR CD1 C 132.3 0.2 1 943 88 88 TYR CD2 C 132.3 0.2 1 944 88 88 TYR CE1 C 117.3 0.2 1 945 88 88 TYR CE2 C 117.3 0.2 1 946 88 88 TYR N N 122.2 0.2 1 947 89 89 LYS H H 8.34 0.02 1 948 89 89 LYS HA H 3.73 0.02 1 949 89 89 LYS HB2 H 1.84 0.02 1 950 89 89 LYS HB3 H 1.84 0.02 1 951 89 89 LYS HD2 H 1.37 0.02 1 952 89 89 LYS HD3 H 1.37 0.02 1 953 89 89 LYS HE2 H 2.82 0.02 1 954 89 89 LYS HE3 H 2.82 0.02 1 955 89 89 LYS HG2 H 1.65 0.02 1 956 89 89 LYS HG3 H 1.65 0.02 1 957 89 89 LYS C C 178.1 0.2 1 958 89 89 LYS CA C 60.2 0.2 1 959 89 89 LYS CB C 32.6 0.2 1 960 89 89 LYS CD C 29.7 0.2 1 961 89 89 LYS CE C 41.8 0.2 1 962 89 89 LYS CG C 26.3 0.2 1 963 89 89 LYS N N 118.2 0.2 1 964 90 90 LYS H H 7.18 0.02 1 965 90 90 LYS HA H 3.98 0.02 1 966 90 90 LYS HB2 H 1.93 0.02 1 967 90 90 LYS HB3 H 1.93 0.02 1 968 90 90 LYS HD2 H 1.72 0.02 1 969 90 90 LYS HD3 H 1.72 0.02 1 970 90 90 LYS HE2 H 3.02 0.02 1 971 90 90 LYS HE3 H 3.02 0.02 1 972 90 90 LYS HG2 H 1.47 0.02 1 973 90 90 LYS HG3 H 1.47 0.02 1 974 90 90 LYS C C 178.2 0.2 1 975 90 90 LYS CA C 59.5 0.2 1 976 90 90 LYS CB C 32.5 0.2 1 977 90 90 LYS CD C 29.3 0.2 1 978 90 90 LYS CE C 42.2 0.2 1 979 90 90 LYS CG C 25.2 0.2 1 980 90 90 LYS N N 117.4 0.2 1 981 91 91 TYR H H 7.83 0.02 1 982 91 91 TYR HA H 4.35 0.02 1 983 91 91 TYR HB2 H 3.46 0.02 2 984 91 91 TYR HB3 H 2.79 0.02 2 985 91 91 TYR HD1 H 6.76 0.02 1 986 91 91 TYR HD2 H 6.76 0.02 1 987 91 91 TYR HE1 H 6.75 0.02 1 988 91 91 TYR HE2 H 6.75 0.02 1 989 91 91 TYR C C 177.7 0.2 1 990 91 91 TYR CA C 60.2 0.2 1 991 91 91 TYR CB C 38 0.2 1 992 91 91 TYR CD1 C 133.7 0.2 1 993 91 91 TYR CD2 C 133.7 0.2 1 994 91 91 TYR CE1 C 117.3 0.2 1 995 91 91 TYR CE2 C 117.3 0.2 1 996 91 91 TYR N N 120 0.2 1 997 92 92 ILE H H 8.98 0.02 1 998 92 92 ILE HA H 3.39 0.02 1 999 92 92 ILE HB H 1 0.02 1 1000 92 92 ILE HD1 H 0.82 0.02 1 1001 92 92 ILE HG12 H 1.33 0.02 2 1002 92 92 ILE HG13 H 1.21 0.02 2 1003 92 92 ILE HG2 H 0.89 0.02 1 1004 92 92 ILE C C 176.9 0.2 1 1005 92 92 ILE CA C 59.7 0.2 1 1006 92 92 ILE CB C 37.5 0.2 1 1007 92 92 ILE CD1 C 14.9 0.2 1 1008 92 92 ILE CG1 C 29.3 0.2 1 1009 92 92 ILE CG2 C 19.9 0.2 1 1010 92 92 ILE N N 121.2 0.2 1 1011 93 93 LYS H H 7.09 0.02 1 1012 93 93 LYS HA H 3.98 0.02 1 1013 93 93 LYS HB2 H 1.87 0.02 1 1014 93 93 LYS HB3 H 1.87 0.02 1 1015 93 93 LYS HD2 H 1.72 0.02 1 1016 93 93 LYS HD3 H 1.72 0.02 1 1017 93 93 LYS HE2 H 2.95 0.02 1 1018 93 93 LYS HE3 H 2.95 0.02 1 1019 93 93 LYS HG2 H 1.62 0.02 1 1020 93 93 LYS HG3 H 1.62 0.02 1 1021 93 93 LYS C C 179.3 0.2 1 1022 93 93 LYS CA C 59.6 0.2 1 1023 93 93 LYS CB C 32 0.2 1 1024 93 93 LYS CD C 29.3 0.2 1 1025 93 93 LYS CE C 42.1 0.2 1 1026 93 93 LYS CG C 25.2 0.2 1 1027 93 93 LYS N N 123.1 0.2 1 1028 94 94 ASP H H 7.12 0.02 1 1029 94 94 ASP HA H 4.44 0.02 1 1030 94 94 ASP HB2 H 2.83 0.02 2 1031 94 94 ASP HB3 H 2.69 0.02 2 1032 94 94 ASP C C 178.5 0.2 1 1033 94 94 ASP CA C 57.1 0.2 1 1034 94 94 ASP CB C 39.9 0.2 1 1035 94 94 ASP N N 121.1 0.2 1 1036 95 95 TYR H H 8.67 0.02 1 1037 95 95 TYR HA H 4.29 0.02 1 1038 95 95 TYR HB2 H 2.46 0.02 1 1039 95 95 TYR HB3 H 2.46 0.02 1 1040 95 95 TYR HD1 H 6.75 0.02 1 1041 95 95 TYR HD2 H 6.75 0.02 1 1042 95 95 TYR HE1 H 6.5 0.02 1 1043 95 95 TYR HE2 H 6.5 0.02 1 1044 95 95 TYR C C 177.8 0.2 1 1045 95 95 TYR CA C 61.4 0.2 1 1046 95 95 TYR CB C 38.4 0.2 1 1047 95 95 TYR CD1 C 133.7 0.2 1 1048 95 95 TYR CD2 C 133.7 0.2 1 1049 95 95 TYR CE1 C 117.3 0.2 1 1050 95 95 TYR CE2 C 117.3 0.2 1 1051 95 95 TYR N N 124.4 0.2 1 1052 96 96 MET H H 8.58 0.02 1 1053 96 96 MET HA H 3.83 0.02 1 1054 96 96 MET HB2 H 2.19 0.02 2 1055 96 96 MET HB3 H 2.03 0.02 2 1056 96 96 MET HG2 H 2.66 0.02 2 1057 96 96 MET HG3 H 2.41 0.02 2 1058 96 96 MET C C 177.9 0.2 1 1059 96 96 MET CA C 59.6 0.2 1 1060 96 96 MET CB C 33 0.2 1 1061 96 96 MET CG C 32.3 0.2 1 1062 96 96 MET N N 116.9 0.2 1 1063 97 97 LYS H H 7.33 0.02 1 1064 97 97 LYS HA H 3.96 0.02 1 1065 97 97 LYS HB2 H 1.98 0.02 1 1066 97 97 LYS HB3 H 1.98 0.02 1 1067 97 97 LYS HD2 H 1.72 0.02 1 1068 97 97 LYS HD3 H 1.72 0.02 1 1069 97 97 LYS HE2 H 3 0.02 1 1070 97 97 LYS HE3 H 3 0.02 1 1071 97 97 LYS HG2 H 1.4 0.02 1 1072 97 97 LYS HG3 H 1.4 0.02 1 1073 97 97 LYS C C 179.5 0.2 1 1074 97 97 LYS CA C 59.8 0.2 1 1075 97 97 LYS CB C 32.1 0.2 1 1076 97 97 LYS CD C 29.3 0.2 1 1077 97 97 LYS CE C 42.1 0.2 1 1078 97 97 LYS CG C 25.2 0.2 1 1079 97 97 LYS N N 118 0.2 1 1080 98 98 SER H H 8.16 0.02 1 1081 98 98 SER HA H 4.13 0.02 1 1082 98 98 SER HB2 H 3.68 0.02 2 1083 98 98 SER HB3 H 3.99 0.02 2 1084 98 98 SER C C 177.2 0.2 1 1085 98 98 SER CA C 61.4 0.2 1 1086 98 98 SER CB C 62.4 0.2 1 1087 98 98 SER N N 118.8 0.2 1 1088 99 99 ILE H H 8.16 0.02 1 1089 99 99 ILE HA H 3.44 0.02 1 1090 99 99 ILE HB H 1.58 0.02 1 1091 99 99 ILE HD1 H 0.44 0.02 1 1092 99 99 ILE HG12 H 0.7 0.02 2 1093 99 99 ILE HG13 H 0.5 0.02 2 1094 99 99 ILE HG2 H 0 0.02 1 1095 99 99 ILE C C 177.6 0.2 1 1096 99 99 ILE CA C 61.1 0.2 1 1097 99 99 ILE CB C 34.1 0.2 1 1098 99 99 ILE CD1 C 8.2 0.2 1 1099 99 99 ILE CG1 C 25.9 0.2 1 1100 99 99 ILE CG2 C 16.7 0.2 1 1101 99 99 ILE N N 122.5 0.2 1 1102 100 100 LYS H H 8.63 0.02 1 1103 100 100 LYS HA H 3.59 0.02 1 1104 100 100 LYS HB2 H 2.36 0.02 2 1105 100 100 LYS HB3 H 2 0.02 2 1106 100 100 LYS HD2 H 1.66 0.02 1 1107 100 100 LYS HD3 H 1.81 0.02 1 1108 100 100 LYS HE2 H 3 0.02 2 1109 100 100 LYS HE3 H 2.91 0.02 2 1110 100 100 LYS HG2 H 1.44 0.02 1 1111 100 100 LYS HG3 H 1.44 0.02 1 1112 100 100 LYS C C 178 0.2 1 1113 100 100 LYS CA C 61.1 0.2 1 1114 100 100 LYS CB C 32.1 0.2 1 1115 100 100 LYS CD C 30.1 0.2 1 1116 100 100 LYS CE C 42.1 0.2 1 1117 100 100 LYS CG C 25.4 0.2 1 1118 100 100 LYS N N 121.6 0.2 1 1119 101 101 GLY H H 7.65 0.02 1 1120 101 101 GLY HA2 H 3.9 0.02 1 1121 101 101 GLY HA3 H 3.9 0.02 1 1122 101 101 GLY C C 176.7 0.2 1 1123 101 101 GLY CA C 46.9 0.2 1 1124 101 101 GLY N N 102.4 0.2 1 1125 102 102 LYS H H 7.37 0.02 1 1126 102 102 LYS HA H 4.22 0.02 1 1127 102 102 LYS HB2 H 1.95 0.02 2 1128 102 102 LYS HB3 H 1.71 0.02 2 1129 102 102 LYS HD2 H 1.77 0.02 1 1130 102 102 LYS HD3 H 1.77 0.02 1 1131 102 102 LYS HE2 H 3.08 0.02 1 1132 102 102 LYS HE3 H 3.08 0.02 1 1133 102 102 LYS HG2 H 1.54 0.02 1 1134 102 102 LYS HG3 H 1.54 0.02 1 1135 102 102 LYS C C 179.6 0.2 1 1136 102 102 LYS CA C 57.5 0.2 1 1137 102 102 LYS CB C 31.6 0.2 1 1138 102 102 LYS CD C 29.3 0.2 1 1139 102 102 LYS CE C 42.1 0.2 1 1140 102 102 LYS CG C 24.6 0.2 1 1141 102 102 LYS N N 120.5 0.2 1 1142 103 103 LEU H H 8.73 0.02 1 1143 103 103 LEU HA H 3.84 0.02 1 1144 103 103 LEU HB2 H 1.23 0.02 2 1145 103 103 LEU HB3 H 1.81 0.02 2 1146 103 103 LEU HD1 H 0.74 0.02 2 1147 103 103 LEU HD2 H 0.31 0.02 2 1148 103 103 LEU HG H 1.67 0.02 1 1149 103 103 LEU C C 179.5 0.2 1 1150 103 103 LEU CA C 57.4 0.2 1 1151 103 103 LEU CB C 41.6 0.2 1 1152 103 103 LEU CD1 C 21.9 0.2 2 1153 103 103 LEU CD2 C 26.1 0.2 2 1154 103 103 LEU CG C 25.4 0.2 1 1155 103 103 LEU N N 120.2 0.2 1 1156 104 104 GLU H H 8.58 0.02 1 1157 104 104 GLU HA H 3.7 0.02 1 1158 104 104 GLU HB2 H 2.23 0.02 2 1159 104 104 GLU HB3 H 1.98 0.02 2 1160 104 104 GLU HG2 H 2.55 0.02 2 1161 104 104 GLU HG3 H 2.32 0.02 2 1162 104 104 GLU C C 177.7 0.2 1 1163 104 104 GLU CA C 59.7 0.2 1 1164 104 104 GLU CB C 29.8 0.2 1 1165 104 104 GLU CG C 37.4 0.2 1 1166 104 104 GLU N N 117.7 0.2 1 1167 105 105 GLU H H 6.98 0.02 1 1168 105 105 GLU HA H 4.23 0.02 1 1169 105 105 GLU HB2 H 2.17 0.02 1 1170 105 105 GLU HB3 H 2.17 0.02 1 1171 105 105 GLU HG2 H 2.46 0.02 1 1172 105 105 GLU HG3 H 2.46 0.02 1 1173 105 105 GLU C C 177.7 0.2 1 1174 105 105 GLU CA C 58 0.2 1 1175 105 105 GLU CB C 31 0.2 1 1176 105 105 GLU CG C 36.2 0.2 1 1177 105 105 GLU N N 113.6 0.2 1 1178 106 106 GLN H H 7.99 0.02 1 1179 106 106 GLN HA H 4.5 0.02 1 1180 106 106 GLN HB2 H 2.18 0.02 2 1181 106 106 GLN HB3 H 1.95 0.02 2 1182 106 106 GLN HE21 H 6.69 0.02 1 1183 106 106 GLN HE22 H 7.55 0.02 1 1184 106 106 GLN HG2 H 2.49 0.02 2 1185 106 106 GLN HG3 H 2.41 0.02 2 1186 106 106 GLN C C 176.6 0.2 1 1187 106 106 GLN CA C 57.5 0.2 1 1188 106 106 GLN CB C 31.9 0.2 1 1189 106 106 GLN CG C 34 0.2 1 1190 106 106 GLN N N 114.4 0.2 1 1191 106 106 GLN NE2 N 110.4 0.2 1 1192 107 107 ARG H H 9.29 0.02 1 1193 107 107 ARG HA H 4.76 0.02 1 1194 107 107 ARG HB2 H 1.91 0.02 2 1195 107 107 ARG HB3 H 1.66 0.02 2 1196 107 107 ARG HD2 H 3.25 0.02 1 1197 107 107 ARG HD3 H 3.25 0.02 1 1198 107 107 ARG HG2 H 1.63 0.02 1 1199 107 107 ARG HG3 H 1.63 0.02 1 1200 107 107 ARG C C 173 0.2 1 1201 107 107 ARG CA C 53.9 0.2 1 1202 107 107 ARG CB C 31.8 0.2 1 1203 107 107 ARG CD C 43.9 0.2 1 1204 107 107 ARG CG C 27.1 0.2 1 1205 107 107 ARG N N 119.7 0.2 1 1206 108 108 PRO HA H 4.12 0.02 1 1207 108 108 PRO HB2 H 2.46 0.02 2 1208 108 108 PRO HB3 H 2.05 0.02 2 1209 108 108 PRO HD2 H 3.3 0.02 1 1210 108 108 PRO HD3 H 3.72 0.02 1 1211 108 108 PRO HG2 H 2.07 0.02 1 1212 108 108 PRO HG3 H 2.06 0.02 1 1213 108 108 PRO C C 179.3 0.2 1 1214 108 108 PRO CA C 65.2 0.2 1 1215 108 108 PRO CB C 31.3 0.2 1 1216 108 108 PRO CD C 50.1 0.2 1 1217 108 108 PRO CG C 27.5 0.2 1 1218 109 109 GLU H H 9.95 0.02 1 1219 109 109 GLU HA H 4.33 0.02 1 1220 109 109 GLU HB2 H 2.06 0.02 2 1221 109 109 GLU HB3 H 2.16 0.02 2 1222 109 109 GLU HG2 H 2.45 0.02 2 1223 109 109 GLU HG3 H 2.16 0.02 2 1224 109 109 GLU C C 177.3 0.2 1 1225 109 109 GLU CA C 58.3 0.2 1 1226 109 109 GLU CB C 27.8 0.2 1 1227 109 109 GLU CG C 35.9 0.2 1 1228 109 109 GLU N N 119.6 0.2 1 1229 110 110 ARG H H 8.42 0.02 1 1230 110 110 ARG HA H 4.39 0.02 1 1231 110 110 ARG HB2 H 2.33 0.02 2 1232 110 110 ARG HB3 H 1.99 0.02 2 1233 110 110 ARG HD2 H 3.36 0.02 1 1234 110 110 ARG HD3 H 3.24 0.02 1 1235 110 110 ARG HE H 8.85 0.02 1 1236 110 110 ARG HG2 H 1.94 0.02 2 1237 110 110 ARG HG3 H 1.7 0.02 2 1238 110 110 ARG C C 176.4 0.2 1 1239 110 110 ARG CA C 53.1 0.2 1 1240 110 110 ARG CB C 30.3 0.2 1 1241 110 110 ARG CD C 40.9 0.2 1 1242 110 110 ARG CG C 25.6 0.2 1 1243 110 110 ARG N N 119 0.2 1 1244 110 110 ARG NE N 83.5 0.2 1 1245 111 111 VAL H H 7.42 0.02 1 1246 111 111 VAL HA H 3.4 0.02 1 1247 111 111 VAL HB H 2.19 0.02 1 1248 111 111 VAL HG1 H 1.12 0.02 2 1249 111 111 VAL HG2 H 1.03 0.02 2 1250 111 111 VAL C C 176.3 0.2 1 1251 111 111 VAL CA C 68.6 0.2 1 1252 111 111 VAL CB C 31.9 0.2 1 1253 111 111 VAL CG1 C 24.4 0.2 2 1254 111 111 VAL CG2 C 21.6 0.2 2 1255 111 111 VAL N N 119.9 0.2 1 1256 112 112 LYS H H 8.85 0.02 1 1257 112 112 LYS HA H 4.38 0.02 1 1258 112 112 LYS HB2 H 1.95 0.02 1 1259 112 112 LYS HB3 H 1.95 0.02 1 1260 112 112 LYS HD2 H 1.73 0.02 1 1261 112 112 LYS HD3 H 1.73 0.02 1 1262 112 112 LYS HE2 H 3 0.02 1 1263 112 112 LYS HE3 H 3 0.02 1 1264 112 112 LYS HG2 H 1.43 0.02 2 1265 112 112 LYS HG3 H 1.55 0.02 2 1266 112 112 LYS C C 177 0.2 1 1267 112 112 LYS CA C 61.2 0.2 1 1268 112 112 LYS CB C 29.3 0.2 1 1269 112 112 LYS CD C 29.1 0.2 1 1270 112 112 LYS CE C 42 0.2 1 1271 112 112 LYS CG C 25.4 0.2 1 1272 112 112 LYS N N 117.3 0.2 1 1273 113 113 PRO HA H 4.38 0.02 1 1274 113 113 PRO HB2 H 2.4 0.02 2 1275 113 113 PRO HB3 H 1.87 0.02 2 1276 113 113 PRO HD2 H 3.8 0.02 1 1277 113 113 PRO HD3 H 3.64 0.02 1 1278 113 113 PRO HG2 H 2.27 0.02 2 1279 113 113 PRO HG3 H 2.16 0.02 2 1280 113 113 PRO C C 180.2 0.2 1 1281 113 113 PRO CA C 66.1 0.2 1 1282 113 113 PRO CB C 31 0.2 1 1283 113 113 PRO CD C 49.8 0.2 1 1284 113 113 PRO CG C 27.7 0.2 1 1285 114 114 PHE H H 8.34 0.02 1 1286 114 114 PHE HA H 4.25 0.02 1 1287 114 114 PHE HB2 H 3.13 0.02 1 1288 114 114 PHE HB3 H 3.13 0.02 1 1289 114 114 PHE HD1 H 7.27 0.02 1 1290 114 114 PHE HD2 H 7.27 0.02 1 1291 114 114 PHE C C 175.8 0.2 1 1292 114 114 PHE CA C 61.6 0.2 1 1293 114 114 PHE CB C 39.3 0.2 1 1294 114 114 PHE CD1 C 132.7 0.2 1 1295 114 114 PHE CD2 C 132.7 0.2 1 1296 114 114 PHE N N 119.9 0.2 1 1297 115 115 MET H H 8.72 0.02 1 1298 115 115 MET HA H 3.98 0.02 1 1299 115 115 MET HB2 H 2.25 0.02 2 1300 115 115 MET HB3 H 2.02 0.02 2 1301 115 115 MET HG2 H 2.86 0.02 1 1302 115 115 MET HG3 H 2.86 0.02 1 1303 115 115 MET C C 180.7 0.2 1 1304 115 115 MET CA C 57.4 0.2 1 1305 115 115 MET CB C 31 0.2 1 1306 115 115 MET CG C 32.6 0.2 1 1307 115 115 MET N N 117.4 0.2 1 1308 116 116 THR H H 8.49 0.02 1 1309 116 116 THR HA H 4.03 0.02 1 1310 116 116 THR HB H 4.16 0.02 1 1311 116 116 THR HG2 H 1.3 0.02 1 1312 116 116 THR C C 177.3 0.2 1 1313 116 116 THR CA C 65.4 0.2 1 1314 116 116 THR CB C 68.8 0.2 1 1315 116 116 THR CG2 C 21.6 0.2 1 1316 116 116 THR N N 114 0.2 1 1317 117 117 GLY H H 8.25 0.02 1 1318 117 117 GLY HA2 H 4.04 0.02 2 1319 117 117 GLY HA3 H 3.93 0.02 2 1320 117 117 GLY C C 176.8 0.2 1 1321 117 117 GLY CA C 47.3 0.2 1 1322 117 117 GLY N N 110.6 0.2 1 1323 118 118 ALA H H 9.33 0.02 1 1324 118 118 ALA HA H 3.94 0.02 1 1325 118 118 ALA HB H 0.96 0.02 1 1326 118 118 ALA C C 178.6 0.2 1 1327 118 118 ALA CA C 55.9 0.2 1 1328 118 118 ALA CB C 16.6 0.2 1 1329 118 118 ALA N N 125.6 0.2 1 1330 119 119 ALA H H 7.2 0.02 1 1331 119 119 ALA HA H 4 0.02 1 1332 119 119 ALA HB H 1.53 0.02 1 1333 119 119 ALA C C 180.4 0.2 1 1334 119 119 ALA CA C 55.5 0.2 1 1335 119 119 ALA CB C 18.1 0.2 1 1336 119 119 ALA N N 117.2 0.2 1 1337 120 120 GLU H H 7.12 0.02 1 1338 120 120 GLU HA H 4.19 0.02 1 1339 120 120 GLU HB2 H 2.19 0.02 1 1340 120 120 GLU HB3 H 2.19 0.02 1 1341 120 120 GLU HG2 H 2.4 0.02 1 1342 120 120 GLU HG3 H 2.4 0.02 1 1343 120 120 GLU C C 178.9 0.2 1 1344 120 120 GLU CA C 58.5 0.2 1 1345 120 120 GLU CB C 29.5 0.2 1 1346 120 120 GLU N N 116 0.2 1 1347 121 121 GLN H H 8.41 0.02 1 1348 121 121 GLN HA H 4.3 0.02 1 1349 121 121 GLN HB2 H 2.18 0.02 2 1350 121 121 GLN HB3 H 2.03 0.02 2 1351 121 121 GLN HE21 H 6.76 0.02 1 1352 121 121 GLN HE22 H 6.53 0.02 1 1353 121 121 GLN HG2 H 2.37 0.02 1 1354 121 121 GLN HG3 H 2.37 0.02 1 1355 121 121 GLN C C 178.8 0.2 1 1356 121 121 GLN CA C 57.9 0.2 1 1357 121 121 GLN CB C 27.9 0.2 1 1358 121 121 GLN CG C 32.3 0.2 1 1359 121 121 GLN N N 120.7 0.2 1 1360 121 121 GLN NE2 N 107.5 0.2 1 1361 122 122 ILE H H 8.91 0.02 1 1362 122 122 ILE HA H 3.92 0.02 1 1363 122 122 ILE HB H 1.99 0.02 1 1364 122 122 ILE HD1 H 0.89 0.02 1 1365 122 122 ILE HG12 H 1.32 0.02 2 1366 122 122 ILE HG13 H 1.8 0.02 2 1367 122 122 ILE HG2 H 1.02 0.02 1 1368 122 122 ILE C C 177.2 0.2 1 1369 122 122 ILE CA C 65.4 0.2 1 1370 122 122 ILE CB C 37.8 0.2 1 1371 122 122 ILE CD1 C 14.7 0.2 1 1372 122 122 ILE CG1 C 29.8 0.2 1 1373 122 122 ILE CG2 C 17.8 0.2 1 1374 122 122 ILE N N 119.2 0.2 1 1375 123 123 LYS H H 7.23 0.02 1 1376 123 123 LYS HA H 3.99 0.02 1 1377 123 123 LYS HB2 H 1.98 0.02 1 1378 123 123 LYS HB3 H 1.98 0.02 1 1379 123 123 LYS HD2 H 1.72 0.02 1 1380 123 123 LYS HD3 H 1.72 0.02 1 1381 123 123 LYS HE2 H 2.96 0.02 1 1382 123 123 LYS HE3 H 2.96 0.02 1 1383 123 123 LYS HG2 H 1.7 0.02 1 1384 123 123 LYS HG3 H 1.7 0.02 1 1385 123 123 LYS C C 179.5 0.2 1 1386 123 123 LYS CA C 60.2 0.2 1 1387 123 123 LYS CB C 32.1 0.2 1 1388 123 123 LYS CD C 29.3 0.2 1 1389 123 123 LYS CE C 42.1 0.2 1 1390 123 123 LYS CG C 25.2 0.2 1 1391 123 123 LYS N N 118.5 0.2 1 1392 124 124 HIS H H 7.44 0.02 1 1393 124 124 HIS HA H 4.38 0.02 1 1394 124 124 HIS HB2 H 3.4 0.02 2 1395 124 124 HIS HB3 H 3.21 0.02 2 1396 124 124 HIS HD2 H 6.93 0.02 1 1397 124 124 HIS C C 178 0.2 1 1398 124 124 HIS CA C 60 0.2 1 1399 124 124 HIS CB C 30.4 0.2 1 1400 124 124 HIS CD2 C 119.5 0.2 1 1401 124 124 HIS N N 119.7 0.2 1 1402 125 125 ILE H H 8.57 0.02 1 1403 125 125 ILE HA H 3.94 0.02 1 1404 125 125 ILE HB H 2.08 0.02 1 1405 125 125 ILE HD1 H 0.95 0.02 1 1406 125 125 ILE HG12 H 1.84 0.02 2 1407 125 125 ILE HG13 H 0.86 0.02 2 1408 125 125 ILE HG2 H 0.88 0.02 1 1409 125 125 ILE C C 178.9 0.2 1 1410 125 125 ILE CA C 64.9 0.2 1 1411 125 125 ILE CB C 38.8 0.2 1 1412 125 125 ILE CD1 C 13.8 0.2 1 1413 125 125 ILE CG1 C 28.8 0.2 1 1414 125 125 ILE CG2 C 16.8 0.2 1 1415 125 125 ILE N N 122.2 0.2 1 1416 126 126 LEU H H 8.73 0.02 1 1417 126 126 LEU HA H 4.2 0.02 1 1418 126 126 LEU HB2 H 2.03 0.02 2 1419 126 126 LEU HB3 H 1.47 0.02 2 1420 126 126 LEU HD1 H 0.92 0.02 2 1421 126 126 LEU HD2 H 0.87 0.02 2 1422 126 126 LEU HG H 2.11 0.02 1 1423 126 126 LEU C C 180 0.2 1 1424 126 126 LEU CA C 58 0.2 1 1425 126 126 LEU CB C 41 0.2 1 1426 126 126 LEU CD1 C 26.5 0.2 2 1427 126 126 LEU CD2 C 23 0.2 2 1428 126 126 LEU CG C 27.2 0.2 1 1429 126 126 LEU N N 116.6 0.2 1 1430 127 127 ALA H H 7.89 0.02 1 1431 127 127 ALA HA H 4.25 0.02 1 1432 127 127 ALA HB H 1.54 0.02 1 1433 127 127 ALA C C 178.6 0.2 1 1434 127 127 ALA CA C 54.4 0.2 1 1435 127 127 ALA CB C 18.3 0.2 1 1436 127 127 ALA N N 121 0.2 1 1437 128 128 ASN H H 7.65 0.02 1 1438 128 128 ASN HA H 4.89 0.02 1 1439 128 128 ASN HB2 H 2.78 0.02 2 1440 128 128 ASN HB3 H 2.48 0.02 2 1441 128 128 ASN HD21 H 6.83 0.02 2 1442 128 128 ASN HD22 H 6.79 0.02 2 1443 128 128 ASN C C 175.1 0.2 1 1444 128 128 ASN CA C 52.7 0.2 1 1445 128 128 ASN CB C 39.9 0.2 1 1446 128 128 ASN N N 116.9 0.2 1 1447 128 128 ASN ND2 N 114.6 0.2 1 1448 129 129 PHE H H 7.07 0.02 1 1449 129 129 PHE HA H 4.22 0.02 1 1450 129 129 PHE HB2 H 2.96 0.02 2 1451 129 129 PHE HB3 H 3.78 0.02 2 1452 129 129 PHE HD1 H 6.65 0.02 1 1453 129 129 PHE HD2 H 6.65 0.02 1 1454 129 129 PHE C C 176.8 0.2 1 1455 129 129 PHE CA C 63.9 0.2 1 1456 129 129 PHE CB C 41.8 0.2 1 1457 129 129 PHE CD1 C 132.5 0.2 1 1458 129 129 PHE CD2 C 132.5 0.2 1 1459 129 129 PHE N N 120.5 0.2 1 1460 130 130 LYS H H 8.29 0.02 1 1461 130 130 LYS HA H 4.2 0.02 1 1462 130 130 LYS HB2 H 1.92 0.02 1 1463 130 130 LYS HB3 H 1.92 0.02 1 1464 130 130 LYS HG2 H 1.54 0.02 1 1465 130 130 LYS HG3 H 1.54 0.02 1 1466 130 130 LYS C C 176.5 0.2 1 1467 130 130 LYS CA C 57.5 0.2 1 1468 130 130 LYS CB C 31.9 0.2 1 1469 130 130 LYS N N 113.2 0.2 1 1470 131 131 ASN H H 8.06 0.02 1 1471 131 131 ASN HA H 4.29 0.02 1 1472 131 131 ASN HB2 H 2.55 0.02 2 1473 131 131 ASN HB3 H 1.93 0.02 2 1474 131 131 ASN HD21 H 7.43 0.02 2 1475 131 131 ASN HD22 H 6.76 0.02 2 1476 131 131 ASN C C 175.8 0.2 1 1477 131 131 ASN CA C 54.2 0.2 1 1478 131 131 ASN CB C 38.1 0.2 1 1479 131 131 ASN N N 117.2 0.2 1 1480 131 131 ASN ND2 N 111.9 0.2 1 1481 132 132 TYR H H 6.47 0.02 1 1482 132 132 TYR HA H 4.82 0.02 1 1483 132 132 TYR HB2 H 2.13 0.02 2 1484 132 132 TYR HB3 H 1.74 0.02 2 1485 132 132 TYR HD1 H 6.63 0.02 1 1486 132 132 TYR HD2 H 6.63 0.02 1 1487 132 132 TYR C C 177 0.2 1 1488 132 132 TYR CA C 58.5 0.2 1 1489 132 132 TYR CB C 40 0.2 1 1490 132 132 TYR CD1 C 132.5 0.2 1 1491 132 132 TYR CD2 C 132.5 0.2 1 1492 132 132 TYR N N 113.6 0.2 1 1493 133 133 GLN H H 8.02 0.02 1 1494 133 133 GLN HA H 4.23 0.02 1 1495 133 133 GLN HB2 H 2.17 0.02 2 1496 133 133 GLN HB3 H 1.82 0.02 2 1497 133 133 GLN HE21 H 8.08 0.02 1 1498 133 133 GLN HE22 H 6.69 0.02 1 1499 133 133 GLN HG2 H 2.41 0.02 2 1500 133 133 GLN HG3 H 2.27 0.02 2 1501 133 133 GLN C C 173.5 0.2 1 1502 133 133 GLN CA C 54.7 0.2 1 1503 133 133 GLN CB C 34.2 0.2 1 1504 133 133 GLN CG C 35.3 0.2 1 1505 133 133 GLN N N 117.2 0.2 1 1506 133 133 GLN NE2 N 111.4 0.2 1 1507 134 134 PHE H H 8.47 0.02 1 1508 134 134 PHE HA H 5.07 0.02 1 1509 134 134 PHE HB2 H 2.85 0.02 2 1510 134 134 PHE HB3 H 2.7 0.02 2 1511 134 134 PHE HD1 H 6.98 0.02 1 1512 134 134 PHE HD2 H 6.98 0.02 1 1513 134 134 PHE HE1 H 6.64 0.02 1 1514 134 134 PHE HE2 H 6.64 0.02 1 1515 134 134 PHE HZ H 6 0.02 1 1516 134 134 PHE C C 174.2 0.2 1 1517 134 134 PHE CA C 57.1 0.2 1 1518 134 134 PHE CB C 41.2 0.2 1 1519 134 134 PHE CD1 C 131.2 0.2 1 1520 134 134 PHE CD2 C 131.2 0.2 1 1521 134 134 PHE CE1 C 130.9 0.2 1 1522 134 134 PHE CE2 C 130.9 0.2 1 1523 134 134 PHE CZ C 130.5 0.2 1 1524 134 134 PHE N N 120.2 0.2 1 1525 135 135 PHE H H 9.06 0.02 1 1526 135 135 PHE HA H 5.29 0.02 1 1527 135 135 PHE HB2 H 2.39 0.02 2 1528 135 135 PHE HB3 H 2.86 0.02 2 1529 135 135 PHE HD1 H 6.68 0.02 1 1530 135 135 PHE HD2 H 6.68 0.02 1 1531 135 135 PHE HE1 H 7.15 0.02 1 1532 135 135 PHE HE2 H 7.15 0.02 1 1533 135 135 PHE C C 173.4 0.2 1 1534 135 135 PHE CA C 56.9 0.2 1 1535 135 135 PHE CB C 44.7 0.2 1 1536 135 135 PHE N N 119.9 0.2 1 1537 136 136 ILE H H 9.36 0.02 1 1538 136 136 ILE HA H 5.13 0.02 1 1539 136 136 ILE HB H 1.92 0.02 1 1540 136 136 ILE HD1 H 0.67 0.02 1 1541 136 136 ILE HG12 H 1.26 0.02 2 1542 136 136 ILE HG13 H 1.78 0.02 2 1543 136 136 ILE HG2 H 1.06 0.02 1 1544 136 136 ILE C C 174.4 0.2 1 1545 136 136 ILE CA C 58.9 0.2 1 1546 136 136 ILE CB C 43.5 0.2 1 1547 136 136 ILE CD1 C 13.6 0.2 1 1548 136 136 ILE CG1 C 26 0.2 1 1549 136 136 ILE CG2 C 17.9 0.2 1 1550 136 136 ILE N N 118.2 0.2 1 1551 137 137 GLY H H 8.26 0.02 1 1552 137 137 GLY HA2 H 4.08 0.02 2 1553 137 137 GLY HA3 H 4.33 0.02 2 1554 137 137 GLY C C 173.5 0.2 1 1555 137 137 GLY CA C 45.5 0.2 1 1556 137 137 GLY N N 106.1 0.2 1 1557 138 138 GLU H H 8.59 0.02 1 1558 138 138 GLU HA H 4.19 0.02 1 1559 138 138 GLU HB2 H 2.38 0.02 2 1560 138 138 GLU HB3 H 2.04 0.02 2 1561 138 138 GLU HG2 H 2.31 0.02 1 1562 138 138 GLU HG3 H 2.31 0.02 1 1563 138 138 GLU C C 177.5 0.2 1 1564 138 138 GLU CA C 60.2 0.2 1 1565 138 138 GLU CB C 31 0.2 1 1566 138 138 GLU CG C 35.8 0.2 1 1567 138 138 GLU N N 119.5 0.2 1 1568 139 139 ASN H H 9.55 0.02 1 1569 139 139 ASN HA H 4.62 0.02 1 1570 139 139 ASN HB2 H 3.33 0.02 2 1571 139 139 ASN HB3 H 2.77 0.02 2 1572 139 139 ASN HD21 H 8.62 0.02 2 1573 139 139 ASN HD22 H 7.05 0.02 2 1574 139 139 ASN C C 175.4 0.2 1 1575 139 139 ASN CA C 55.2 0.2 1 1576 139 139 ASN CB C 38.4 0.2 1 1577 139 139 ASN N N 114.8 0.2 1 1578 139 139 ASN ND2 N 116.3 0.2 1 1579 140 140 MET H H 8.93 0.02 1 1580 140 140 MET HA H 3.64 0.02 1 1581 140 140 MET HB2 H 2.24 0.02 2 1582 140 140 MET HB3 H 2.11 0.02 2 1583 140 140 MET HE H 2.32 0.02 1 1584 140 140 MET HG2 H 2.61 0.02 2 1585 140 140 MET HG3 H 2.23 0.02 2 1586 140 140 MET C C 174.9 0.2 1 1587 140 140 MET CA C 56.1 0.2 1 1588 140 140 MET CB C 30.6 0.2 1 1589 140 140 MET CE C 18.6 0.2 1 1590 140 140 MET CG C 31.9 0.2 1 1591 140 140 MET N N 117.7 0.2 1 1592 141 141 ASN H H 9.16 0.02 1 1593 141 141 ASN HA H 4.75 0.02 1 1594 141 141 ASN HB2 H 2.74 0.02 2 1595 141 141 ASN HB3 H 3.06 0.02 2 1596 141 141 ASN HD21 H 7.16 0.02 2 1597 141 141 ASN HD22 H 7.69 0.02 2 1598 141 141 ASN CA C 51.2 0.2 1 1599 141 141 ASN CB C 39 0.2 1 1600 141 141 ASN N N 121.8 0.2 1 1601 141 141 ASN ND2 N 111.2 0.2 1 1602 142 142 PRO HA H 4.39 0.02 1 1603 142 142 PRO HB2 H 2.32 0.02 2 1604 142 142 PRO HB3 H 2.13 0.02 2 1605 142 142 PRO HD2 H 4.09 0.02 1 1606 142 142 PRO HD3 H 3.88 0.02 1 1607 142 142 PRO HG2 H 2.07 0.02 2 1608 142 142 PRO HG3 H 1.98 0.02 2 1609 142 142 PRO C C 176.5 0.2 1 1610 142 142 PRO CA C 64.3 0.2 1 1611 142 142 PRO CB C 32 0.2 1 1612 142 142 PRO CD C 51 0.2 1 1613 142 142 PRO CG C 26.5 0.2 1 1614 143 143 ASP H H 8.38 0.02 1 1615 143 143 ASP HA H 5.01 0.02 1 1616 143 143 ASP HB2 H 2.9 0.02 2 1617 143 143 ASP HB3 H 2.5 0.02 2 1618 143 143 ASP C C 176.7 0.2 1 1619 143 143 ASP CA C 54 0.2 1 1620 143 143 ASP CB C 41.5 0.2 1 1621 143 143 ASP N N 116.8 0.2 1 1622 144 144 GLY H H 7.74 0.02 1 1623 144 144 GLY HA2 H 4.47 0.02 2 1624 144 144 GLY HA3 H 4.05 0.02 2 1625 144 144 GLY C C 172.7 0.2 1 1626 144 144 GLY CA C 44.2 0.2 1 1627 144 144 GLY N N 102.9 0.2 1 1628 145 145 MET H H 10.29 0.02 1 1629 145 145 MET HA H 3.54 0.02 1 1630 145 145 MET HB2 H 2.73 0.02 2 1631 145 145 MET HB3 H 2.13 0.02 2 1632 145 145 MET HE H 2.68 0.02 1 1633 145 145 MET HG2 H 2.56 0.02 2 1634 145 145 MET HG3 H 2.89 0.02 2 1635 145 145 MET C C 174.5 0.2 1 1636 145 145 MET CA C 57.3 0.2 1 1637 145 145 MET CB C 34.8 0.2 1 1638 145 145 MET CE C 16.6 0.2 1 1639 145 145 MET CG C 30.6 0.2 1 1640 145 145 MET N N 121.1 0.2 1 1641 146 146 VAL H H 7.1 0.02 1 1642 146 146 VAL HA H 4.68 0.02 1 1643 146 146 VAL HB H 2.04 0.02 1 1644 146 146 VAL HG1 H 1.04 0.02 2 1645 146 146 VAL HG2 H 0.6 0.02 2 1646 146 146 VAL C C 175.6 0.2 1 1647 146 146 VAL CA C 60.7 0.2 1 1648 146 146 VAL CB C 32.9 0.2 1 1649 146 146 VAL CG1 C 22.7 0.2 2 1650 146 146 VAL CG2 C 21.3 0.2 2 1651 146 146 VAL N N 125.8 0.2 1 1652 147 147 ALA H H 9.64 0.02 1 1653 147 147 ALA HA H 4.27 0.02 1 1654 147 147 ALA HB H 0.72 0.02 1 1655 147 147 ALA C C 175.9 0.2 1 1656 147 147 ALA CA C 50.5 0.2 1 1657 147 147 ALA CB C 21.9 0.2 1 1658 147 147 ALA N N 132.1 0.2 1 1659 148 148 LEU H H 7.05 0.02 1 1660 148 148 LEU HA H 4.84 0.02 1 1661 148 148 LEU HB2 H 1.13 0.02 2 1662 148 148 LEU HB3 H 0.75 0.02 2 1663 148 148 LEU HD1 H 0.35 0.02 2 1664 148 148 LEU HD2 H 0.21 0.02 2 1665 148 148 LEU HG H 1.31 0.02 1 1666 148 148 LEU C C 175.4 0.2 1 1667 148 148 LEU CA C 53.2 0.2 1 1668 148 148 LEU CB C 43.7 0.2 1 1669 148 148 LEU CD1 C 24.8 0.2 2 1670 148 148 LEU CD2 C 24.3 0.2 2 1671 148 148 LEU CG C 27.5 0.2 1 1672 148 148 LEU N N 120 0.2 1 1673 149 149 LEU H H 8.7 0.02 1 1674 149 149 LEU HA H 4.88 0.02 1 1675 149 149 LEU HB2 H 1.13 0.02 2 1676 149 149 LEU HB3 H 1.64 0.02 2 1677 149 149 LEU HD1 H 0.52 0.02 2 1678 149 149 LEU HD2 H 0.64 0.02 2 1679 149 149 LEU HG H 1.26 0.02 1 1680 149 149 LEU C C 174 0.2 1 1681 149 149 LEU CA C 54.2 0.2 1 1682 149 149 LEU CB C 45.4 0.2 1 1683 149 149 LEU CD1 C 25.3 0.2 2 1684 149 149 LEU CD2 C 26.2 0.2 2 1685 149 149 LEU CG C 27.4 0.2 1 1686 149 149 LEU N N 123.2 0.2 1 1687 150 150 ASP H H 8.4 0.02 1 1688 150 150 ASP HA H 4.78 0.02 1 1689 150 150 ASP HB2 H 2.29 0.02 2 1690 150 150 ASP HB3 H 1.95 0.02 2 1691 150 150 ASP C C 171.8 0.2 1 1692 150 150 ASP CA C 51.2 0.2 1 1693 150 150 ASP CB C 44.9 0.2 1 1694 150 150 ASP N N 127.3 0.2 1 1695 151 151 TYR H H 8.85 0.02 1 1696 151 151 TYR HA H 5.14 0.02 1 1697 151 151 TYR HB2 H 2.7 0.02 1 1698 151 151 TYR HB3 H 2.7 0.02 1 1699 151 151 TYR HD1 H 6.75 0.02 1 1700 151 151 TYR HD2 H 6.75 0.02 1 1701 151 151 TYR HE1 H 6.57 0.02 1 1702 151 151 TYR HE2 H 6.57 0.02 1 1703 151 151 TYR C C 177.5 0.2 1 1704 151 151 TYR CA C 57 0.2 1 1705 151 151 TYR CB C 42.4 0.2 1 1706 151 151 TYR CD1 C 133.3 0.2 1 1707 151 151 TYR CD2 C 133.3 0.2 1 1708 151 151 TYR CE1 C 117.5 0.2 1 1709 151 151 TYR CE2 C 117.5 0.2 1 1710 151 151 TYR N N 116.5 0.2 1 1711 152 152 ARG H H 8.9 0.02 1 1712 152 152 ARG HA H 4.38 0.02 1 1713 152 152 ARG HB2 H 2.3 0.02 2 1714 152 152 ARG HB3 H 2.2 0.02 2 1715 152 152 ARG HD2 H 2.92 0.02 1 1716 152 152 ARG HD3 H 2.92 0.02 1 1717 152 152 ARG HE H 7.09 0.02 1 1718 152 152 ARG HG2 H 1.69 0.02 1 1719 152 152 ARG HG3 H 1.69 0.02 1 1720 152 152 ARG C C 177 0.2 1 1721 152 152 ARG CA C 54.4 0.2 1 1722 152 152 ARG CB C 31 0.2 1 1723 152 152 ARG CD C 42.4 0.2 1 1724 152 152 ARG CG C 26.8 0.2 1 1725 152 152 ARG N N 117.4 0.2 1 1726 152 152 ARG NE N 83.2 0.2 1 1727 153 153 GLU H H 9.16 0.02 1 1728 153 153 GLU HA H 4.07 0.02 1 1729 153 153 GLU HB2 H 2.1 0.02 1 1730 153 153 GLU HB3 H 2.1 0.02 1 1731 153 153 GLU HG2 H 2.36 0.02 1 1732 153 153 GLU HG3 H 2.36 0.02 1 1733 153 153 GLU C C 176.3 0.2 1 1734 153 153 GLU CA C 59.2 0.2 1 1735 153 153 GLU CB C 28.8 0.2 1 1736 153 153 GLU CG C 36.5 0.2 1 1737 153 153 GLU N N 120.4 0.2 1 1738 154 154 ASP H H 7.53 0.02 1 1739 154 154 ASP HA H 4.32 0.02 1 1740 154 154 ASP HB2 H 2.98 0.02 2 1741 154 154 ASP HB3 H 2.8 0.02 2 1742 154 154 ASP C C 177.2 0.2 1 1743 154 154 ASP CA C 54.5 0.2 1 1744 154 154 ASP CB C 39.7 0.2 1 1745 154 154 ASP N N 116.8 0.2 1 1746 155 155 GLY H H 8.57 0.02 1 1747 155 155 GLY HA2 H 4.13 0.02 2 1748 155 155 GLY HA3 H 3.7 0.02 2 1749 155 155 GLY C C 173.5 0.2 1 1750 155 155 GLY CA C 45.6 0.2 1 1751 155 155 GLY N N 109.8 0.2 1 1752 156 156 VAL H H 8.3 0.02 1 1753 156 156 VAL HA H 4.53 0.02 1 1754 156 156 VAL HB H 2.14 0.02 1 1755 156 156 VAL HG1 H 0.85 0.02 2 1756 156 156 VAL HG2 H 0.77 0.02 2 1757 156 156 VAL C C 175.9 0.2 1 1758 156 156 VAL CA C 61.8 0.2 1 1759 156 156 VAL CB C 35.2 0.2 1 1760 156 156 VAL CG1 C 21.4 0.2 2 1761 156 156 VAL CG2 C 19.2 0.2 2 1762 156 156 VAL N N 113.5 0.2 1 1763 157 157 THR H H 9.48 0.02 1 1764 157 157 THR HA H 4.62 0.02 1 1765 157 157 THR HB H 4.27 0.02 1 1766 157 157 THR HG2 H 1.31 0.02 1 1767 157 157 THR C C 171.7 0.2 1 1768 157 157 THR CA C 61.4 0.2 1 1769 157 157 THR CB C 68.1 0.2 1 1770 157 157 THR CG2 C 21.6 0.2 1 1771 157 157 THR N N 124.3 0.2 1 1772 158 158 PRO HA H 4.33 0.02 1 1773 158 158 PRO HB2 H 1.25 0.02 2 1774 158 158 PRO HB3 H 1.63 0.02 2 1775 158 158 PRO C C 175.2 0.2 1 1776 158 158 PRO CA C 61.2 0.2 1 1777 158 158 PRO CB C 33.1 0.2 1 1778 159 159 TYR H H 8.73 0.02 1 1779 159 159 TYR HA H 5.1 0.02 1 1780 159 159 TYR HB2 H 2.59 0.02 1 1781 159 159 TYR HB3 H 2.59 0.02 1 1782 159 159 TYR HD1 H 6.54 0.02 1 1783 159 159 TYR HD2 H 6.54 0.02 1 1784 159 159 TYR HE1 H 6.43 0.02 1 1785 159 159 TYR HE2 H 6.43 0.02 1 1786 159 159 TYR C C 171.5 0.2 1 1787 159 159 TYR CA C 56.2 0.2 1 1788 159 159 TYR CB C 41.2 0.2 1 1789 159 159 TYR CD1 C 132.5 0.2 1 1790 159 159 TYR CD2 C 132.5 0.2 1 1791 159 159 TYR CE1 C 118.7 0.2 1 1792 159 159 TYR CE2 C 118.7 0.2 1 1793 159 159 TYR N N 116.9 0.2 1 1794 160 160 MET H H 8.94 0.02 1 1795 160 160 MET HA H 5.47 0.02 1 1796 160 160 MET HB2 H 1.38 0.02 1 1797 160 160 MET HB3 H 1.38 0.02 1 1798 160 160 MET HG2 H 1.92 0.02 2 1799 160 160 MET HG3 H 1.79 0.02 2 1800 160 160 MET C C 174.8 0.2 1 1801 160 160 MET CA C 53.1 0.2 1 1802 160 160 MET CB C 38.7 0.2 1 1803 160 160 MET CG C 34.1 0.2 1 1804 160 160 MET N N 117.9 0.2 1 1805 161 161 ILE H H 8.47 0.02 1 1806 161 161 ILE HA H 4.83 0.02 1 1807 161 161 ILE HB H 1.37 0.02 1 1808 161 161 ILE HD1 H 0.8 0.02 1 1809 161 161 ILE HG12 H 1.42 0.02 2 1810 161 161 ILE HG13 H 0.94 0.02 2 1811 161 161 ILE HG2 H 0.61 0.02 1 1812 161 161 ILE C C 174.8 0.2 1 1813 161 161 ILE CA C 60.2 0.2 1 1814 161 161 ILE CB C 40.9 0.2 1 1815 161 161 ILE CD1 C 13.9 0.2 1 1816 161 161 ILE CG1 C 27.6 0.2 1 1817 161 161 ILE CG2 C 17.7 0.2 1 1818 161 161 ILE N N 120.2 0.2 1 1819 162 162 PHE H H 8.42 0.02 1 1820 162 162 PHE HA H 4.97 0.02 1 1821 162 162 PHE HB2 H 2.93 0.02 2 1822 162 162 PHE HB3 H 2.48 0.02 2 1823 162 162 PHE HD1 H 7.12 0.02 1 1824 162 162 PHE HD2 H 7.12 0.02 1 1825 162 162 PHE HE1 H 6.81 0.02 1 1826 162 162 PHE HE2 H 6.81 0.02 1 1827 162 162 PHE C C 176.4 0.2 1 1828 162 162 PHE CA C 55.5 0.2 1 1829 162 162 PHE CB C 43.7 0.2 1 1830 162 162 PHE N N 120.7 0.2 1 1831 163 163 PHE H H 8.12 0.02 1 1832 163 163 PHE HA H 4.83 0.02 1 1833 163 163 PHE HB2 H 3.72 0.02 2 1834 163 163 PHE HB3 H 3.18 0.02 2 1835 163 163 PHE HD1 H 7.55 0.02 1 1836 163 163 PHE HD2 H 7.55 0.02 1 1837 163 163 PHE HE1 H 7.26 0.02 1 1838 163 163 PHE HE2 H 7.26 0.02 1 1839 163 163 PHE HZ H 7.05 0.02 1 1840 163 163 PHE C C 176.3 0.2 1 1841 163 163 PHE CA C 59.7 0.2 1 1842 163 163 PHE CB C 38.6 0.2 1 1843 163 163 PHE CD1 C 132.7 0.2 1 1844 163 163 PHE CD2 C 132.7 0.2 1 1845 163 163 PHE CE1 C 131.3 0.2 1 1846 163 163 PHE CE2 C 131.3 0.2 1 1847 163 163 PHE CZ C 129.2 0.2 1 1848 163 163 PHE N N 122 0.2 1 1849 164 164 LYS H H 8.77 0.02 1 1850 164 164 LYS HA H 3.83 0.02 1 1851 164 164 LYS HB2 H 1.94 0.02 1 1852 164 164 LYS HB3 H 1.94 0.02 1 1853 164 164 LYS HE2 H 3 0.02 1 1854 164 164 LYS HE3 H 3 0.02 1 1855 164 164 LYS HG2 H 1.43 0.02 1 1856 164 164 LYS HG3 H 1.43 0.02 1 1857 164 164 LYS C C 178.4 0.2 1 1858 164 164 LYS CA C 60.6 0.2 1 1859 164 164 LYS CB C 34 0.2 1 1860 164 164 LYS CE C 42.1 0.2 1 1861 164 164 LYS CG C 25.6 0.2 1 1862 164 164 LYS N N 129 0.2 1 1863 165 165 ASP H H 10.4 0.02 1 1864 165 165 ASP HA H 4.53 0.02 1 1865 165 165 ASP HB2 H 2.46 0.02 2 1866 165 165 ASP HB3 H 2.28 0.02 2 1867 165 165 ASP C C 174.9 0.2 1 1868 165 165 ASP CA C 56.6 0.2 1 1869 165 165 ASP CB C 41.6 0.2 1 1870 165 165 ASP N N 115.8 0.2 1 1871 166 166 GLY H H 7.61 0.02 1 1872 166 166 GLY HA2 H 4.43 0.02 2 1873 166 166 GLY HA3 H 3.77 0.02 2 1874 166 166 GLY C C 173.9 0.2 1 1875 166 166 GLY CA C 44.9 0.2 1 1876 166 166 GLY N N 100.2 0.2 1 1877 167 167 LEU H H 7.41 0.02 1 1878 167 167 LEU HA H 5.61 0.02 1 1879 167 167 LEU HB2 H 2.04 0.02 2 1880 167 167 LEU HB3 H 1.38 0.02 2 1881 167 167 LEU HD1 H 0.75 0.02 2 1882 167 167 LEU HD2 H 0.87 0.02 2 1883 167 167 LEU HG H 2.05 0.02 1 1884 167 167 LEU C C 175.4 0.2 1 1885 167 167 LEU CA C 53 0.2 1 1886 167 167 LEU CB C 45.6 0.2 1 1887 167 167 LEU CD1 C 23.5 0.2 2 1888 167 167 LEU CD2 C 27.9 0.2 2 1889 167 167 LEU CG C 25.7 0.2 1 1890 167 167 LEU N N 121.8 0.2 1 1891 168 168 GLU H H 9.27 0.02 1 1892 168 168 GLU HA H 4.65 0.02 1 1893 168 168 GLU HB2 H 1.87 0.02 1 1894 168 168 GLU HB3 H 1.87 0.02 1 1895 168 168 GLU HG2 H 2.05 0.02 1 1896 168 168 GLU HG3 H 2.04 0.02 1 1897 168 168 GLU C C 174.6 0.2 1 1898 168 168 GLU CA C 54.2 0.2 1 1899 168 168 GLU CB C 32.9 0.2 1 1900 168 168 GLU CG C 36 0.2 1 1901 168 168 GLU N N 120.5 0.2 1 1902 169 169 MET H H 8.61 0.02 1 1903 169 169 MET HA H 4.56 0.02 1 1904 169 169 MET HB2 H 1.68 0.02 2 1905 169 169 MET HB3 H 1.46 0.02 2 1906 169 169 MET HE H 2 0.02 1 1907 169 169 MET HG2 H 2 0.02 2 1908 169 169 MET HG3 H 1.76 0.02 2 1909 169 169 MET C C 175.1 0.2 1 1910 169 169 MET CA C 55.3 0.2 1 1911 169 169 MET CB C 34.9 0.2 1 1912 169 169 MET CE C 16.9 0.2 1 1913 169 169 MET CG C 32.2 0.2 1 1914 169 169 MET N N 122.7 0.2 1 1915 170 170 GLU H H 8.88 0.02 1 1916 170 170 GLU HA H 4.45 0.02 1 1917 170 170 GLU HB2 H 1.9 0.02 2 1918 170 170 GLU HB3 H 1.74 0.02 2 1919 170 170 GLU HG2 H 2.06 0.02 2 1920 170 170 GLU HG3 H 1.96 0.02 2 1921 170 170 GLU C C 174.2 0.2 1 1922 170 170 GLU CA C 54.8 0.2 1 1923 170 170 GLU CB C 32.6 0.2 1 1924 170 170 GLU CG C 36 0.2 1 1925 170 170 GLU N N 124.6 0.2 1 1926 171 171 LYS H H 8.57 0.02 1 1927 171 171 LYS HA H 4.55 0.02 1 1928 171 171 LYS HB2 H 1.73 0.02 2 1929 171 171 LYS HB3 H 1.62 0.02 2 1930 171 171 LYS HD2 H 1.61 0.02 1 1931 171 171 LYS HD3 H 1.61 0.02 1 1932 171 171 LYS HE2 H 2.89 0.02 1 1933 171 171 LYS HE3 H 2.89 0.02 1 1934 171 171 LYS HG2 H 1.31 0.02 2 1935 171 171 LYS HG3 H 1.25 0.02 2 1936 171 171 LYS C C 176.1 0.2 1 1937 171 171 LYS CA C 55.9 0.2 1 1938 171 171 LYS CB C 32.7 0.2 1 1939 171 171 LYS CD C 29.4 0.2 1 1940 171 171 LYS CE C 41.9 0.2 1 1941 171 171 LYS CG C 25 0.2 1 1942 171 171 LYS N N 126 0.2 1 1943 172 172 CYS H H 8.61 0.02 1 1944 172 172 CYS HA H 4.54 0.02 1 1945 172 172 CYS HB2 H 2.76 0.02 2 1946 172 172 CYS HB3 H 2.85 0.02 2 1947 172 172 CYS C C 174.4 0.2 1 1948 172 172 CYS CA C 58.2 0.2 1 1949 172 172 CYS CB C 28.8 0.2 1 1950 172 172 CYS N N 124.5 0.2 1 1951 173 173 LEU H H 8.65 0.02 1 1952 173 173 LEU HA H 4.33 0.02 1 1953 173 173 LEU HB2 H 1.56 0.02 1 1954 173 173 LEU HB3 H 1.56 0.02 1 1955 173 173 LEU C C 177 0.2 1 1956 173 173 LEU CA C 55.4 0.2 1 1957 173 173 LEU CB C 42.2 0.2 1 1958 173 173 LEU N N 125.9 0.2 1 1959 174 174 GLU H H 8.31 0.02 1 1960 174 174 GLU C C 175.8 0.2 1 1961 174 174 GLU CA C 56.5 0.2 1 1962 174 174 GLU CB C 30.4 0.2 1 1963 174 174 GLU N N 120.7 0.2 1 stop_ save_