data_6012 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Sgt1 binds to HSP90 through the CS domain and not the TPR domain ; _BMRB_accession_number 6012 _BMRB_flat_file_name bmr6012.str _Entry_type original _Submission_date 2003-11-20 _Accession_date 2003-11-20 _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 Lee Young-Tae . . 2 Jacob Jaison . . 3 Michowski Wojciech . . 4 Nowotny Marcin . . 5 Kuznicki Jacek . . 6 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 613 "13C chemical shifts" 497 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-05-15 original author . stop_ _Original_release_date 2004-05-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Human Sgt1 binds to HSP90 through the CS domain and not the TPR domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14761955 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Young-Tae . . 2 Jacob Jaison . . 3 Michowski Wojciech . . 4 Nowotny Marcin . . 5 Kuznicki Jacek . . 6 Chazin Walter J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16511 _Page_last 16517 _Year 2004 _Details . loop_ _Keyword 'CS domain' HSP90 p23 Sgt1 TPR stop_ save_ ################################## # Molecular system description # ################################## save_Ssystem_gt1_CS _Saveframe_category molecular_system _Mol_system_name 'Sgt1 CS domain' _Abbreviation_common 'Sgt1 CS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sgt1 CS' $Sgt1_CS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sgt1_CS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Sgt1 CS' _Abbreviation_common 'Sgt1 CS' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSHMTHQSKIKYDWYQTESQ VVITLMIKNVQKNDVNVEFS EKELSALVKLPSGEDYNLKL ELLHPIIPEQSTFKVLSTKI EIKLKKPEAVRWEKLEGQGD VPTPKQFVADVKNL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 THR 6 HIS 7 GLN 8 SER 9 LYS 10 ILE 11 LYS 12 TYR 13 ASP 14 TRP 15 TYR 16 GLN 17 THR 18 GLU 19 SER 20 GLN 21 VAL 22 VAL 23 ILE 24 THR 25 LEU 26 MET 27 ILE 28 LYS 29 ASN 30 VAL 31 GLN 32 LYS 33 ASN 34 ASP 35 VAL 36 ASN 37 VAL 38 GLU 39 PHE 40 SER 41 GLU 42 LYS 43 GLU 44 LEU 45 SER 46 ALA 47 LEU 48 VAL 49 LYS 50 LEU 51 PRO 52 SER 53 GLY 54 GLU 55 ASP 56 TYR 57 ASN 58 LEU 59 LYS 60 LEU 61 GLU 62 LEU 63 LEU 64 HIS 65 PRO 66 ILE 67 ILE 68 PRO 69 GLU 70 GLN 71 SER 72 THR 73 PHE 74 LYS 75 VAL 76 LEU 77 SER 78 THR 79 LYS 80 ILE 81 GLU 82 ILE 83 LYS 84 LEU 85 LYS 86 LYS 87 PRO 88 GLU 89 ALA 90 VAL 91 ARG 92 TRP 93 GLU 94 LYS 95 LEU 96 GLU 97 GLY 98 GLN 99 GLY 100 ASP 101 VAL 102 PRO 103 THR 104 PRO 105 LYS 106 GLN 107 PHE 108 VAL 109 ALA 110 ASP 111 VAL 112 LYS 113 ASN 114 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1RL1 "Solution Structure Of Human Sgt1 Cs Domain" 100.00 114 100.00 100.00 2.71e-75 DBJ BAF84091 "unnamed protein product [Homo sapiens]" 96.49 365 100.00 100.00 1.93e-69 DBJ BAF84817 "unnamed protein product [Homo sapiens]" 96.49 333 98.18 99.09 3.43e-68 DBJ BAG63688 "unnamed protein product [Homo sapiens]" 96.49 277 100.00 100.00 6.16e-70 DBJ BAI46473 "SGT1, suppressor of G2 allele of SKP1 [synthetic construct]" 96.49 333 100.00 100.00 8.83e-70 EMBL CAC51433 "putative 40-6-3 protein [Homo sapiens]" 96.49 333 100.00 100.00 8.83e-70 GB AAD30062 "suppressor of G2 allele of skp1 homolog [Homo sapiens]" 96.49 333 100.00 100.00 8.83e-70 GB AAH00911 "SGT1, suppressor of G2 allele of SKP1 (S. cerevisiae) [Homo sapiens]" 96.49 333 100.00 100.00 8.83e-70 GB AAP88800 "SGT1, suppressor of G2 allele of SKP1 (S. cerevisiae) [Homo sapiens]" 96.49 333 100.00 100.00 8.83e-70 GB AAQ01749 "SGT1B protein [Homo sapiens]" 96.49 365 100.00 100.00 2.72e-69 GB AAQ76039 "SUGT1B [Homo sapiens]" 96.49 365 100.00 100.00 2.15e-69 REF NP_001124384 "suppressor of G2 allele of SKP1 homolog isoform SGT1B [Homo sapiens]" 96.49 365 100.00 100.00 2.15e-69 REF NP_006695 "suppressor of G2 allele of SKP1 homolog isoform SGT1A [Homo sapiens]" 96.49 333 100.00 100.00 8.83e-70 REF XP_001084394 "PREDICTED: suppressor of G2 allele of SKP1 homolog isoform 1 [Macaca mulatta]" 96.49 365 99.09 99.09 2.34e-68 REF XP_001084516 "PREDICTED: suppressor of G2 allele of SKP1 homolog isoform 2 [Macaca mulatta]" 96.49 333 99.09 99.09 1.23e-68 REF XP_002742679 "PREDICTED: suppressor of G2 allele of SKP1 homolog isoform X2 [Callithrix jacchus]" 95.61 333 98.17 100.00 4.35e-68 SP Q9Y2Z0 "RecName: Full=Suppressor of G2 allele of SKP1 homolog; AltName: Full=Protein 40-6-3; AltName: Full=Sgt1 [Homo sapiens]" 96.49 365 100.00 100.00 2.15e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sgt1_CS 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 $Sgt1_CS 'recombinant technology' . . . . . 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 $Sgt1_CS . mM 1 2 [U-15N] H2O 93 % . . . D2O 7 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Sgt1_CS . mM 1 2 '[U-15N; U-13C]' H2O 93 % . . . D2O 7 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Sgt1_CS . mM 1 2 [U-13C] D2O 100 % . . . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Sgt1_CS . mM 1 2 . D2O 100 % . . . stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Saveframe_category software _Name nmrpipe _Version . loop_ _Task processing stop_ _Details . save_ save_sparky _Saveframe_category software _Name sparky _Version . loop_ _Task assignment stop_ _Details . save_ save_pipp _Saveframe_category software _Name pipp _Version . loop_ _Task 'structure-assisted NOESY analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1-2_MM_SGT1_CS_DOMAIN_U-15N,_20_MM_ACETIC_ACID,_5_MM_DTT,_93%_H2O,_7%_D2O_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1-2 MM SGT1 CS DOMAIN U-15N, 20 MM ACETIC ACID, 5 MM DTT, 93% H2O, 7% D2O' _Sample_label . save_ save_2D_15N-1H_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-1H HSQC' _Sample_label . save_ save_3D_15N-edited_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label . save_ save_1-2_MM_SGT1_CS_DOMAIN_U-15N,U-13C,_20_MM_ACETIC_ACID,_5_MM_DTT,_93%_H2O,_7%_D2O_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1-2 MM SGT1 CS DOMAIN U-15N,U-13C, 20 MM ACETIC ACID, 5 MM DTT, 93% H2O, 7% D2O' _Sample_label . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 0.2 n/a temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Sgt1 CS' _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 GLY CA C 43.347 . 1 2 . 1 GLY HA2 H 3.897 . 1 3 . 2 SER H H 8.649 . 1 4 . 2 SER N N 115.515 . 1 5 . 2 SER CA C 58.223 . 1 6 . 2 SER HA H 4.510 . 1 7 . 2 SER C C 174.047 . 1 8 . 2 SER CB C 64.139 . 1 9 . 2 SER HB2 H 3.835 . 1 10 . 3 HIS H H 8.743 . 1 11 . 3 HIS N N 120.851 . 1 12 . 3 HIS CA C 55.201 . 1 13 . 3 HIS HA H 4.863 . 1 14 . 3 HIS C C 174.539 . 1 15 . 3 HIS CB C 29.175 . 1 16 . 3 HIS HB3 H 3.305 . 2 17 . 3 HIS HB2 H 3.224 . 2 18 . 4 MET H H 8.605 . 1 19 . 4 MET N N 122.358 . 1 20 . 4 MET CA C 55.586 . 1 21 . 4 MET HA H 4.496 . 1 22 . 4 MET CB C 33.828 . 1 23 . 4 MET HB3 H 2.003 . 2 24 . 4 MET CG C 32.138 . 1 25 . 4 MET HB2 H 1.910 . 2 26 . 4 MET HG2 H 2.485 . 1 27 . 5 THR CB C 70.774 . 1 28 . 5 THR HB H 4.086 . 1 29 . 9 LYS H H 8.468 . 1 30 . 9 LYS N N 123.219 . 1 31 . 9 LYS CA C 56.059 . 1 32 . 9 LYS HA H 4.578 . 1 33 . 9 LYS C C 175.936 . 1 34 . 9 LYS CB C 33.281 . 1 35 . 9 LYS HB2 H 1.858 . 2 36 . 9 LYS CG C 25.009 . 1 37 . 9 LYS CD C 29.304 . 1 38 . 9 LYS CE C 39.765 . 1 39 . 9 LYS HB3 H 1.778 . 2 40 . 9 LYS HG2 H 1.533 . 1 41 . 9 LYS HD2 H 1.697 . 1 42 . 10 ILE H H 7.958 . 1 43 . 10 ILE N N 123.458 . 1 44 . 10 ILE CA C 60.418 . 1 45 . 10 ILE HA H 4.176 . 1 46 . 10 ILE C C 175.042 . 1 47 . 10 ILE CB C 39.344 . 1 48 . 10 ILE HB H 1.579 . 1 49 . 10 ILE CG2 C 17.681 . 1 50 . 10 ILE HG2 H 0.655 . 1 51 . 10 ILE CG1 C 28.018 . 1 52 . 10 ILE HG13 H 1.230 . 2 53 . 10 ILE CD1 C 12.900 . 1 54 . 10 ILE HD1 H 0.548 . 1 55 . 10 ILE HG12 H 0.959 . 2 56 . 11 LYS H H 8.670 . 1 57 . 11 LYS N N 127.992 . 1 58 . 11 LYS CA C 55.748 . 1 59 . 11 LYS HA H 4.557 . 1 60 . 11 LYS C C 174.671 . 1 61 . 11 LYS CB C 34.057 . 1 62 . 11 LYS CG C 24.946 . 1 63 . 11 LYS CD C 29.214 . 1 64 . 11 LYS CE C 42.413 . 1 65 . 11 LYS HB2 H 1.828 . 1 66 . 11 LYS HG2 H 1.456 . 1 67 . 11 LYS HE2 H 3.017 . 1 68 . 12 TYR H H 7.882 . 1 69 . 12 TYR N N 118.118 . 1 70 . 12 TYR CA C 55.437 . 1 71 . 12 TYR HA H 5.746 . 1 72 . 12 TYR C C 173.397 . 1 73 . 12 TYR CB C 42.424 . 1 74 . 12 TYR HB3 H 3.070 . 2 75 . 12 TYR CD1 C 133.903 . 2 76 . 12 TYR HD1 H 6.894 . 2 77 . 12 TYR CE1 C 118.532 . 2 78 . 12 TYR HE1 H 6.745 . 2 79 . 12 TYR HB2 H 2.789 . 2 80 . 13 ASP H H 8.808 . 1 81 . 13 ASP N N 120.600 . 1 82 . 13 ASP CA C 52.473 . 1 83 . 13 ASP HA H 5.206 . 1 84 . 13 ASP C C 174.244 . 1 85 . 13 ASP CB C 44.988 . 1 86 . 13 ASP HB3 H 2.789 . 2 87 . 13 ASP HB2 H 2.711 . 2 88 . 14 TRP H H 8.827 . 1 89 . 14 TRP N N 116.979 . 1 90 . 14 TRP CA C 55.947 . 1 91 . 14 TRP HA H 6.139 . 1 92 . 14 TRP C C 173.733 . 1 93 . 14 TRP CB C 32.630 . 1 94 . 14 TRP HB3 H 3.390 . 2 95 . 14 TRP CD1 C 127.270 . 1 96 . 14 TRP HD1 H 7.428 . 1 97 . 14 TRP NE1 N 130.407 . 1 98 . 14 TRP HE1 H 10.244 . 1 99 . 14 TRP CE3 C 120.755 . 1 100 . 14 TRP HE3 H 7.232 . 1 101 . 14 TRP CZ2 C 114.934 . 1 102 . 14 TRP HZ2 H 7.517 . 1 103 . 14 TRP CZ3 C 121.215 . 1 104 . 14 TRP HZ3 H 6.670 . 1 105 . 14 TRP CH2 C 123.987 . 1 106 . 14 TRP HH2 H 6.892 . 1 107 . 14 TRP HB2 H 3.199 . 2 108 . 15 TYR H H 9.172 . 1 109 . 15 TYR N N 116.802 . 1 110 . 15 TYR CA C 56.485 . 1 111 . 15 TYR HA H 4.294 . 1 112 . 15 TYR C C 172.137 . 1 113 . 15 TYR CB C 39.490 . 1 114 . 15 TYR HB3 H 3.158 . 2 115 . 15 TYR CD1 C 134.499 . 2 116 . 15 TYR HD1 H 6.917 . 2 117 . 15 TYR CE1 C 118.339 . 2 118 . 15 TYR HE1 H 6.635 . 2 119 . 15 TYR HB2 H 2.984 . 2 120 . 16 GLN H H 8.960 . 1 121 . 16 GLN N N 115.693 . 1 122 . 16 GLN CA C 53.388 . 1 123 . 16 GLN HA H 5.525 . 1 124 . 16 GLN C C 173.337 . 1 125 . 16 GLN CB C 34.363 . 1 126 . 16 GLN HB3 H 2.434 . 2 127 . 16 GLN CG C 32.247 . 1 128 . 16 GLN HG3 H 2.430 . 2 129 . 16 GLN HB2 H 1.898 . 2 130 . 16 GLN HG2 H 2.178 . 2 131 . 17 THR H H 9.194 . 1 132 . 17 THR N N 113.182 . 1 133 . 17 THR CA C 59.341 . 1 134 . 17 THR HA H 4.893 . 1 135 . 17 THR C C 174.973 . 1 136 . 17 THR CB C 71.166 . 1 137 . 17 THR HB H 4.792 . 1 138 . 17 THR CG2 C 21.529 . 1 139 . 17 THR HG2 H 1.319 . 1 140 . 18 GLU H H 9.074 . 1 141 . 18 GLU N N 119.039 . 1 142 . 18 GLU CA C 59.733 . 1 143 . 18 GLU HA H 4.179 . 1 144 . 18 GLU C C 176.392 . 1 145 . 18 GLU CB C 29.068 . 1 146 . 18 GLU CG C 36.395 . 1 147 . 18 GLU HB2 H 2.088 . 1 148 . 18 GLU HG3 H 2.382 . 1 149 . 19 SER H H 7.926 . 1 150 . 19 SER N N 107.068 . 1 151 . 19 SER CA C 58.113 . 1 152 . 19 SER HA H 4.740 . 1 153 . 19 SER C C 174.643 . 1 154 . 19 SER CB C 66.042 . 1 155 . 19 SER HB2 H 3.905 . 2 156 . 19 SER HB3 H 3.760 . 2 157 . 20 GLN H H 7.686 . 1 158 . 20 GLN N N 119.716 . 1 159 . 20 GLN CA C 54.471 . 1 160 . 20 GLN HA H 5.565 . 1 161 . 20 GLN C C 174.408 . 1 162 . 20 GLN CB C 34.077 . 1 163 . 20 GLN HB3 H 1.776 . 2 164 . 20 GLN CG C 34.127 . 1 165 . 20 GLN NE2 N 111.658 . 1 166 . 20 GLN HE21 H 6.772 . 2 167 . 20 GLN HE22 H 7.332 . 2 168 . 20 GLN HB2 H 1.712 . 2 169 . 20 GLN HG2 H 2.169 . 1 170 . 21 VAL H H 8.766 . 1 171 . 21 VAL N N 122.318 . 1 172 . 21 VAL CA C 62.789 . 1 173 . 21 VAL HA H 4.126 . 1 174 . 21 VAL C C 173.792 . 1 175 . 21 VAL CB C 33.775 . 1 176 . 21 VAL HB H 1.421 . 1 177 . 21 VAL CG1 C 21.478 . 1 178 . 21 VAL HG1 H 0.636 . 1 179 . 21 VAL CG2 C 20.030 . 1 180 . 21 VAL HG2 H -0.467 . 1 181 . 22 VAL H H 8.971 . 1 182 . 22 VAL N N 128.270 . 1 183 . 22 VAL CA C 61.327 . 1 184 . 22 VAL HA H 4.919 . 1 185 . 22 VAL C C 175.118 . 1 186 . 22 VAL CB C 32.400 . 1 187 . 22 VAL HB H 0.581 . 1 188 . 22 VAL CG1 C 20.503 . 1 189 . 22 VAL HG1 H 0.669 . 1 190 . 22 VAL CG2 C 20.362 . 1 191 . 22 VAL HG2 H 0.484 . 1 192 . 23 ILE H H 9.540 . 1 193 . 23 ILE N N 128.542 . 1 194 . 23 ILE CA C 60.121 . 1 195 . 23 ILE HA H 4.987 . 1 196 . 23 ILE C C 174.912 . 1 197 . 23 ILE CB C 41.910 . 1 198 . 23 ILE HB H 1.600 . 1 199 . 23 ILE CG2 C 17.622 . 1 200 . 23 ILE HG2 H 0.795 . 1 201 . 23 ILE CG1 C 28.145 . 1 202 . 23 ILE CD1 C 15.907 . 1 203 . 23 ILE HD1 H 0.658 . 1 204 . 23 ILE HG12 H 0.900 . 1 205 . 24 THR H H 9.278 . 1 206 . 24 THR N N 122.634 . 1 207 . 24 THR CA C 61.080 . 1 208 . 24 THR HA H 5.283 . 1 209 . 24 THR C C 174.121 . 1 210 . 24 THR CB C 70.158 . 1 211 . 24 THR HB H 4.080 . 1 212 . 24 THR CG2 C 22.880 . 1 213 . 24 THR HG2 H 1.239 . 1 214 . 25 LEU H H 9.378 . 1 215 . 25 LEU N N 125.104 . 1 216 . 25 LEU CA C 53.773 . 1 217 . 25 LEU HA H 4.816 . 1 218 . 25 LEU C C 176.956 . 1 219 . 25 LEU CB C 42.839 . 1 220 . 25 LEU HB3 H 1.870 . 2 221 . 25 LEU CG C 27.345 . 1 222 . 25 LEU CD1 C 24.725 . 1 223 . 25 LEU HD1 H 0.750 . 1 224 . 25 LEU CD2 C 24.510 . 1 225 . 25 LEU HD2 H 0.768 . 1 226 . 25 LEU HG H 1.646 . 1 227 . 25 LEU HB2 H 1.401 . 2 228 . 26 MET H H 8.740 . 1 229 . 26 MET N N 125.828 . 1 230 . 26 MET CA C 54.969 . 1 231 . 26 MET HA H 4.712 . 1 232 . 26 MET C C 174.303 . 1 233 . 26 MET CB C 29.255 . 1 234 . 26 MET CG C 32.329 . 1 235 . 26 MET HG3 H 2.641 . 2 236 . 26 MET HB2 H 2.124 . 1 237 . 26 MET HG2 H 2.561 . 2 238 . 27 ILE H H 7.482 . 1 239 . 27 ILE N N 124.360 . 1 240 . 27 ILE CA C 60.099 . 1 241 . 27 ILE HA H 4.227 . 1 242 . 27 ILE C C 173.161 . 1 243 . 27 ILE CB C 40.951 . 1 244 . 27 ILE HB H 1.453 . 1 245 . 27 ILE CG2 C 17.625 . 1 246 . 27 ILE HG2 H 0.723 . 1 247 . 27 ILE CG1 C 27.441 . 1 248 . 27 ILE HG13 H 1.280 . 2 249 . 27 ILE CD1 C 14.393 . 1 250 . 27 ILE HD1 H 0.584 . 1 251 . 27 ILE HG12 H 0.837 . 2 252 . 28 LYS H H 8.092 . 1 253 . 28 LYS N N 124.176 . 1 254 . 28 LYS CA C 55.692 . 1 255 . 28 LYS HA H 4.441 . 1 256 . 28 LYS C C 175.703 . 1 257 . 28 LYS CB C 34.929 . 1 258 . 28 LYS CG C 24.647 . 1 259 . 28 LYS CD C 29.688 . 1 260 . 28 LYS CE C 41.852 . 1 261 . 28 LYS HB2 H 1.805 . 1 262 . 28 LYS HG2 H 1.431 . 1 263 . 28 LYS HD2 H 1.702 . 1 264 . 28 LYS HE2 H 2.993 . 1 265 . 29 ASN H H 8.487 . 1 266 . 29 ASN N N 114.236 . 1 267 . 29 ASN CA C 54.553 . 1 268 . 29 ASN HA H 4.394 . 1 269 . 29 ASN C C 174.326 . 1 270 . 29 ASN CB C 37.306 . 1 271 . 29 ASN HB2 H 3.108 . 2 272 . 29 ASN ND2 N 112.242 . 1 273 . 29 ASN HD21 H 6.903 . 2 274 . 29 ASN HD22 H 7.623 . 2 275 . 29 ASN HB3 H 2.833 . 2 276 . 30 VAL H H 8.408 . 1 277 . 30 VAL N N 118.885 . 1 278 . 30 VAL CA C 62.388 . 1 279 . 30 VAL HA H 4.059 . 1 280 . 30 VAL C C 175.802 . 1 281 . 30 VAL CB C 32.273 . 1 282 . 30 VAL HB H 2.051 . 1 283 . 30 VAL CG1 C 22.513 . 1 284 . 30 VAL HG1 H 0.900 . 1 285 . 30 VAL CG2 C 22.762 . 1 286 . 30 VAL HG2 H 0.729 . 1 287 . 31 GLN H H 8.679 . 1 288 . 31 GLN N N 123.343 . 1 289 . 31 GLN CA C 54.627 . 1 290 . 31 GLN HA H 4.489 . 1 291 . 31 GLN C C 177.831 . 1 292 . 31 GLN CB C 29.594 . 1 293 . 31 GLN HB3 H 2.296 . 2 294 . 31 GLN CG C 34.143 . 1 295 . 31 GLN HG3 H 2.492 . 2 296 . 31 GLN NE2 N 113.054 . 1 297 . 31 GLN HE21 H 6.851 . 2 298 . 31 GLN HE22 H 7.529 . 2 299 . 31 GLN HB2 H 2.024 . 2 300 . 31 GLN HG2 H 2.440 . 2 301 . 32 LYS H H 8.753 . 1 302 . 32 LYS N N 122.409 . 1 303 . 32 LYS CA C 60.668 . 1 304 . 32 LYS HA H 3.923 . 1 305 . 32 LYS C C 177.628 . 1 306 . 32 LYS CB C 32.278 . 1 307 . 32 LYS HB2 H 2.008 . 2 308 . 32 LYS CG C 24.757 . 1 309 . 32 LYS CD C 29.376 . 1 310 . 32 LYS CE C 42.389 . 1 311 . 32 LYS HB3 H 1.913 . 2 312 . 32 LYS HG2 H 1.567 . 1 313 . 32 LYS HD2 H 1.796 . 1 314 . 32 LYS HE2 H 3.069 . 1 315 . 33 ASN H H 8.489 . 1 316 . 33 ASN N N 113.237 . 1 317 . 33 ASN CA C 54.395 . 1 318 . 33 ASN HA H 4.756 . 1 319 . 33 ASN C C 175.273 . 1 320 . 33 ASN CB C 37.516 . 1 321 . 33 ASN HB2 H 2.915 . 2 322 . 33 ASN HB3 H 2.840 . 2 323 . 34 ASP H H 7.977 . 1 324 . 34 ASP N N 118.981 . 1 325 . 34 ASP CA C 54.656 . 1 326 . 34 ASP HA H 4.852 . 1 327 . 34 ASP C C 174.276 . 1 328 . 34 ASP CB C 41.562 . 1 329 . 34 ASP HB3 H 3.477 . 2 330 . 34 ASP HB2 H 2.983 . 2 331 . 35 VAL H H 7.320 . 1 332 . 35 VAL N N 118.166 . 1 333 . 35 VAL CA C 61.030 . 1 334 . 35 VAL HA H 4.820 . 1 335 . 35 VAL C C 173.725 . 1 336 . 35 VAL CB C 34.285 . 1 337 . 35 VAL HB H 2.083 . 1 338 . 35 VAL CG1 C 21.402 . 1 339 . 35 VAL HG1 H 0.627 . 1 340 . 35 VAL CG2 C 22.951 . 1 341 . 35 VAL HG2 H 0.936 . 1 342 . 36 ASN H H 8.674 . 1 343 . 36 ASN N N 124.648 . 1 344 . 36 ASN CA C 52.460 . 1 345 . 36 ASN HA H 4.936 . 1 346 . 36 ASN C C 173.545 . 1 347 . 36 ASN CB C 41.988 . 1 348 . 36 ASN ND2 N 112.066 . 1 349 . 36 ASN HD21 H 6.910 . 2 350 . 36 ASN HD22 H 7.456 . 2 351 . 36 ASN HB2 H 2.647 . 1 352 . 37 VAL H H 7.681 . 1 353 . 37 VAL N N 124.616 . 1 354 . 37 VAL CA C 60.965 . 1 355 . 37 VAL HA H 4.363 . 1 356 . 37 VAL C C 173.261 . 1 357 . 37 VAL CB C 33.882 . 1 358 . 37 VAL HB H 0.894 . 1 359 . 37 VAL CG1 C 21.962 . 1 360 . 37 VAL HG1 H -0.100 . 1 361 . 37 VAL CG2 C 20.151 . 1 362 . 37 VAL HG2 H -0.165 . 1 363 . 38 GLU H H 8.678 . 1 364 . 38 GLU N N 125.739 . 1 365 . 38 GLU CA C 54.304 . 1 366 . 38 GLU HA H 4.476 . 1 367 . 38 GLU C C 174.704 . 1 368 . 38 GLU CB C 31.305 . 1 369 . 38 GLU HB3 H 1.957 . 2 370 . 38 GLU CG C 34.531 . 1 371 . 38 GLU HB2 H 1.783 . 2 372 . 38 GLU HG3 H 2.188 . 1 373 . 39 PHE H H 8.875 . 1 374 . 39 PHE N N 122.814 . 1 375 . 39 PHE CA C 56.660 . 1 376 . 39 PHE HA H 5.065 . 1 377 . 39 PHE C C 175.005 . 1 378 . 39 PHE CB C 42.032 . 1 379 . 39 PHE CD1 C 132.897 . 2 380 . 39 PHE HD1 H 7.194 . 2 381 . 39 PHE CE1 C 131.670 . 2 382 . 39 PHE HE1 H 7.140 . 2 383 . 39 PHE CZ C 129.328 . 1 384 . 39 PHE HZ H 6.969 . 1 385 . 39 PHE HB2 H 2.987 . 1 386 . 40 SER H H 8.704 . 1 387 . 40 SER N N 118.247 . 1 388 . 40 SER CA C 57.251 . 1 389 . 40 SER HA H 4.763 . 1 390 . 40 SER C C 172.378 . 1 391 . 40 SER CB C 65.110 . 1 392 . 40 SER HB2 H 4.074 . 1 393 . 41 GLU H H 8.708 . 1 394 . 41 GLU N N 117.939 . 1 395 . 41 GLU CA C 60.963 . 1 396 . 41 GLU HA H 4.069 . 1 397 . 41 GLU C C 175.899 . 1 398 . 41 GLU CB C 29.866 . 1 399 . 41 GLU HB3 H 2.252 . 2 400 . 41 GLU CG C 36.620 . 1 401 . 41 GLU HG3 H 2.621 . 2 402 . 41 GLU HB2 H 2.138 . 2 403 . 41 GLU HG2 H 2.522 . 2 404 . 42 LYS H H 8.135 . 1 405 . 42 LYS N N 110.216 . 1 406 . 42 LYS CA C 54.774 . 1 407 . 42 LYS HA H 4.706 . 1 408 . 42 LYS C C 175.877 . 1 409 . 42 LYS CB C 34.266 . 1 410 . 42 LYS HB2 H 2.101 . 2 411 . 42 LYS CG C 25.531 . 1 412 . 42 LYS CD C 28.956 . 1 413 . 42 LYS CE C 41.769 . 1 414 . 42 LYS HB3 H 1.538 . 2 415 . 42 LYS HG2 H 1.339 . 1 416 . 42 LYS HD2 H 1.591 . 1 417 . 42 LYS HE2 H 2.859 . 1 418 . 43 GLU H H 7.423 . 1 419 . 43 GLU N N 119.601 . 1 420 . 43 GLU CA C 55.218 . 1 421 . 43 GLU HA H 5.246 . 1 422 . 43 GLU C C 172.731 . 1 423 . 43 GLU CB C 34.246 . 1 424 . 43 GLU CG C 35.635 . 1 425 . 43 GLU HG3 H 2.205 . 2 426 . 43 GLU HB2 H 1.927 . 1 427 . 43 GLU HG2 H 2.114 . 2 428 . 44 LEU H H 8.393 . 1 429 . 44 LEU N N 121.953 . 1 430 . 44 LEU CA C 53.422 . 1 431 . 44 LEU HA H 5.041 . 1 432 . 44 LEU C C 174.441 . 1 433 . 44 LEU CB C 46.679 . 1 434 . 44 LEU HB3 H 1.670 . 2 435 . 44 LEU CG C 27.002 . 1 436 . 44 LEU CD1 C 25.582 . 1 437 . 44 LEU HD1 H 0.756 . 1 438 . 44 LEU CD2 C 27.419 . 1 439 . 44 LEU HD2 H 0.802 . 1 440 . 44 LEU HG H 1.461 . 1 441 . 44 LEU HB2 H 1.481 . 2 442 . 45 SER H H 8.262 . 1 443 . 45 SER N N 118.402 . 1 444 . 45 SER CA C 56.390 . 1 445 . 45 SER HA H 5.354 . 1 446 . 45 SER C C 172.370 . 1 447 . 45 SER CB C 65.156 . 1 448 . 45 SER HB2 H 3.678 . 2 449 . 45 SER HB3 H 3.624 . 2 450 . 46 ALA H H 9.304 . 1 451 . 46 ALA N N 127.314 . 1 452 . 46 ALA CA C 50.290 . 1 453 . 46 ALA HA H 5.075 . 1 454 . 46 ALA C C 174.309 . 1 455 . 46 ALA CB C 21.382 . 1 456 . 46 ALA HB H 0.980 . 1 457 . 47 LEU H H 8.794 . 1 458 . 47 LEU N N 126.060 . 1 459 . 47 LEU CA C 54.190 . 1 460 . 47 LEU HA H 5.156 . 1 461 . 47 LEU C C 175.341 . 1 462 . 47 LEU CB C 44.596 . 1 463 . 47 LEU HB3 H 1.667 . 2 464 . 47 LEU CG C 27.721 . 1 465 . 47 LEU CD1 C 23.870 . 1 466 . 47 LEU HD1 H 0.803 . 1 467 . 47 LEU CD2 C 25.189 . 1 468 . 47 LEU HD2 H 0.803 . 1 469 . 47 LEU HG H 1.432 . 1 470 . 47 LEU HB2 H 1.481 . 2 471 . 48 VAL H H 9.098 . 1 472 . 48 VAL N N 125.632 . 1 473 . 48 VAL CA C 60.697 . 1 474 . 48 VAL HA H 4.791 . 1 475 . 48 VAL C C 174.294 . 1 476 . 48 VAL CB C 35.334 . 1 477 . 48 VAL HB H 2.084 . 1 478 . 48 VAL CG1 C 21.991 . 1 479 . 48 VAL HG1 H 0.882 . 1 480 . 48 VAL CG2 C 20.200 . 1 481 . 48 VAL HG2 H 0.787 . 1 482 . 49 LYS H H 8.501 . 1 483 . 49 LYS N N 127.945 . 1 484 . 49 LYS CA C 55.680 . 1 485 . 49 LYS HA H 4.811 . 1 486 . 49 LYS C C 175.291 . 1 487 . 49 LYS CB C 32.856 . 1 488 . 49 LYS HB2 H 1.816 . 2 489 . 49 LYS CG C 24.291 . 1 490 . 49 LYS CD C 28.991 . 1 491 . 49 LYS HB3 H 1.720 . 2 492 . 49 LYS HG2 H 1.414 . 1 493 . 49 LYS HD2 H 1.692 . 1 494 . 49 LYS HE2 H 2.978 . 1 495 . 50 LEU H H 8.537 . 1 496 . 50 LEU N N 123.828 . 1 497 . 50 LEU CA C 53.319 . 1 498 . 50 LEU HA H 4.664 . 1 499 . 50 LEU CB C 41.266 . 1 500 . 50 LEU HB3 H 1.948 . 2 501 . 50 LEU CG C 27.565 . 1 502 . 50 LEU CD1 C 25.701 . 1 503 . 50 LEU HD1 H 0.894 . 1 504 . 50 LEU CD2 C 23.000 . 1 505 . 50 LEU HD2 H 0.845 . 1 506 . 50 LEU HG H 1.795 . 1 507 . 50 LEU HB2 H 1.698 . 2 508 . 51 PRO CA C 65.038 . 1 509 . 51 PRO HA H 4.471 . 1 510 . 51 PRO C C 176.989 . 1 511 . 51 PRO CB C 31.619 . 1 512 . 51 PRO HB3 H 2.476 . 2 513 . 51 PRO CG C 27.600 . 1 514 . 51 PRO CD C 50.699 . 1 515 . 51 PRO HB2 H 2.008 . 2 516 . 51 PRO HG2 H 2.177 . 1 517 . 51 PRO HD2 H 3.831 . 1 518 . 52 SER H H 7.404 . 1 519 . 52 SER N N 108.570 . 1 520 . 52 SER CA C 58.309 . 1 521 . 52 SER HA H 4.317 . 1 522 . 52 SER C C 175.734 . 1 523 . 52 SER CB C 63.411 . 1 524 . 52 SER HB2 H 4.159 . 2 525 . 52 SER HB3 H 3.880 . 2 526 . 53 GLY H H 8.326 . 1 527 . 53 GLY N N 110.507 . 1 528 . 53 GLY CA C 45.284 . 1 529 . 53 GLY HA3 H 4.445 . 2 530 . 53 GLY C C 173.941 . 1 531 . 53 GLY HA2 H 3.656 . 2 532 . 54 GLU H H 7.775 . 1 533 . 54 GLU N N 120.886 . 1 534 . 54 GLU CA C 56.131 . 1 535 . 54 GLU HA H 4.371 . 1 536 . 54 GLU C C 174.163 . 1 537 . 54 GLU CB C 31.290 . 1 538 . 54 GLU HB3 H 1.969 . 2 539 . 54 GLU CG C 36.282 . 1 540 . 54 GLU HB2 H 1.890 . 2 541 . 54 GLU HG3 H 2.256 . 1 542 . 55 ASP H H 8.296 . 1 543 . 55 ASP N N 119.454 . 1 544 . 55 ASP CA C 53.110 . 1 545 . 55 ASP HA H 5.314 . 1 546 . 55 ASP C C 174.957 . 1 547 . 55 ASP CB C 42.430 . 1 548 . 55 ASP HB3 H 2.588 . 2 549 . 55 ASP HB2 H 2.520 . 2 550 . 56 TYR H H 9.170 . 1 551 . 56 TYR N N 122.247 . 1 552 . 56 TYR CA C 57.147 . 1 553 . 56 TYR HA H 4.830 . 1 554 . 56 TYR C C 173.717 . 1 555 . 56 TYR CB C 41.081 . 1 556 . 56 TYR CD1 C 133.431 . 2 557 . 56 TYR HD1 H 6.899 . 2 558 . 56 TYR CE1 C 118.820 . 2 559 . 56 TYR HE1 H 6.712 . 2 560 . 56 TYR HB2 H 2.829 . 1 561 . 57 ASN H H 8.182 . 1 562 . 57 ASN N N 123.478 . 1 563 . 57 ASN CA C 51.656 . 1 564 . 57 ASN HA H 5.388 . 1 565 . 57 ASN C C 172.637 . 1 566 . 57 ASN CB C 42.162 . 1 567 . 57 ASN HB2 H 2.536 . 2 568 . 57 ASN ND2 N 111.314 . 1 569 . 57 ASN HD21 H 6.733 . 2 570 . 57 ASN HD22 H 7.162 . 2 571 . 57 ASN HB3 H 2.467 . 2 572 . 58 LEU H H 8.577 . 1 573 . 58 LEU N N 125.255 . 1 574 . 58 LEU CA C 53.996 . 1 575 . 58 LEU HA H 4.451 . 1 576 . 58 LEU C C 173.719 . 1 577 . 58 LEU CB C 45.299 . 1 578 . 58 LEU HB3 H 1.530 . 2 579 . 58 LEU CG C 27.503 . 1 580 . 58 LEU CD1 C 23.051 . 1 581 . 58 LEU HD1 H 0.803 . 1 582 . 58 LEU CD2 C 25.592 . 1 583 . 58 LEU HD2 H 0.462 . 1 584 . 58 LEU HG H 1.126 . 1 585 . 58 LEU HB2 H 1.365 . 2 586 . 59 LYS H H 8.438 . 1 587 . 59 LYS N N 128.341 . 1 588 . 59 LYS CA C 55.327 . 1 589 . 59 LYS HA H 5.144 . 1 590 . 59 LYS C C 174.866 . 1 591 . 59 LYS CB C 34.264 . 1 592 . 59 LYS HB2 H 1.705 . 2 593 . 59 LYS CG C 24.711 . 1 594 . 59 LYS HG3 H 1.293 . 2 595 . 59 LYS CD C 28.994 . 1 596 . 59 LYS CE C 41.921 . 1 597 . 59 LYS HB3 H 1.609 . 2 598 . 59 LYS HG2 H 1.202 . 2 599 . 59 LYS HD2 H 1.591 . 1 600 . 59 LYS HE2 H 2.849 . 1 601 . 60 LEU H H 8.812 . 1 602 . 60 LEU N N 124.913 . 1 603 . 60 LEU CA C 53.158 . 1 604 . 60 LEU HA H 4.771 . 1 605 . 60 LEU C C 175.051 . 1 606 . 60 LEU CB C 46.116 . 1 607 . 60 LEU HB3 H 1.455 . 2 608 . 60 LEU CG C 26.533 . 1 609 . 60 LEU CD1 C 26.103 . 1 610 . 60 LEU HD1 H 0.540 . 1 611 . 60 LEU CD2 C 23.953 . 1 612 . 60 LEU HD2 H 0.688 . 1 613 . 60 LEU HG H 1.255 . 1 614 . 60 LEU HB2 H 1.098 . 2 615 . 61 GLU H H 9.030 . 1 616 . 61 GLU N N 124.120 . 1 617 . 61 GLU CA C 54.356 . 1 618 . 61 GLU HA H 4.688 . 1 619 . 61 GLU C C 175.732 . 1 620 . 61 GLU CB C 27.664 . 1 621 . 61 GLU HB3 H 2.089 . 2 622 . 61 GLU CG C 33.623 . 1 623 . 61 GLU HG3 H 2.378 . 2 624 . 61 GLU HB2 H 2.008 . 2 625 . 61 GLU HG2 H 2.331 . 2 626 . 62 LEU H H 7.855 . 1 627 . 62 LEU N N 123.974 . 1 628 . 62 LEU CA C 54.826 . 1 629 . 62 LEU HA H 4.463 . 1 630 . 62 LEU C C 177.861 . 1 631 . 62 LEU CB C 43.046 . 1 632 . 62 LEU HB3 H 1.854 . 2 633 . 62 LEU CD1 C 27.125 . 1 634 . 62 LEU HD1 H 0.985 . 1 635 . 62 LEU CD2 C 22.651 . 1 636 . 62 LEU HD2 H 0.804 . 1 637 . 62 LEU HB2 H 1.569 . 2 638 . 63 LEU H H 7.713 . 1 639 . 63 LEU N N 120.290 . 1 640 . 63 LEU CA C 57.339 . 1 641 . 63 LEU HA H 3.383 . 1 642 . 63 LEU C C 175.325 . 1 643 . 63 LEU CB C 42.240 . 1 644 . 63 LEU HB3 H 0.760 . 2 645 . 63 LEU CG C 26.110 . 1 646 . 63 LEU CD1 C 23.184 . 1 647 . 63 LEU HD1 H 0.603 . 1 648 . 63 LEU CD2 C 26.860 . 1 649 . 63 LEU HD2 H 0.774 . 1 650 . 63 LEU HG H -0.024 . 1 651 . 63 LEU HB2 H 0.660 . 2 652 . 64 HIS H H 5.940 . 1 653 . 64 HIS N N 110.420 . 1 654 . 64 HIS CA C 50.374 . 1 655 . 64 HIS HA H 4.776 . 1 656 . 64 HIS CB C 30.060 . 1 657 . 64 HIS HB2 H 3.236 . 1 658 . 65 PRO CA C 62.224 . 1 659 . 65 PRO HA H 5.020 . 1 660 . 65 PRO C C 176.000 . 1 661 . 65 PRO CB C 33.304 . 1 662 . 65 PRO HB3 H 2.296 . 2 663 . 65 PRO CG C 28.062 . 1 664 . 65 PRO HG3 H 2.077 . 2 665 . 65 PRO CD C 50.532 . 1 666 . 65 PRO HB2 H 1.893 . 2 667 . 65 PRO HG2 H 1.910 . 2 668 . 65 PRO HD2 H 3.711 . 1 669 . 66 ILE H H 8.758 . 1 670 . 66 ILE N N 111.274 . 1 671 . 66 ILE CA C 58.961 . 1 672 . 66 ILE HA H 5.081 . 1 673 . 66 ILE C C 176.536 . 1 674 . 66 ILE CB C 42.965 . 1 675 . 66 ILE HB H 1.871 . 1 676 . 66 ILE CG2 C 20.946 . 1 677 . 66 ILE HG2 H 1.165 . 1 678 . 66 ILE CD1 C 15.086 . 1 679 . 66 ILE HD1 H 0.913 . 1 680 . 67 ILE H H 8.274 . 1 681 . 67 ILE N N 118.541 . 1 682 . 67 ILE CA C 58.635 . 1 683 . 67 ILE HA H 4.773 . 1 684 . 67 ILE CB C 37.832 . 1 685 . 67 ILE HB H 1.728 . 1 686 . 67 ILE CG2 C 18.202 . 1 687 . 67 ILE HG2 H 0.923 . 1 688 . 67 ILE HG13 H 1.343 . 2 689 . 67 ILE CD1 C 12.657 . 1 690 . 67 ILE HD1 H 0.833 . 1 691 . 67 ILE HG12 H 1.087 . 2 692 . 68 PRO CA C 66.563 . 1 693 . 68 PRO HA H 3.714 . 1 694 . 68 PRO C C 178.870 . 1 695 . 68 PRO CB C 32.431 . 1 696 . 68 PRO CG C 27.307 . 1 697 . 68 PRO HG3 H 2.284 . 2 698 . 68 PRO CD C 52.001 . 1 699 . 68 PRO HD3 H 4.375 . 2 700 . 68 PRO HB2 H 2.117 . 1 701 . 68 PRO HG2 H 1.626 . 2 702 . 68 PRO HD2 H 4.211 . 2 703 . 69 GLU H H 9.635 . 1 704 . 69 GLU N N 115.293 . 1 705 . 69 GLU CA C 59.212 . 1 706 . 69 GLU HA H 4.294 . 1 707 . 69 GLU C C 176.772 . 1 708 . 69 GLU CB C 28.336 . 1 709 . 69 GLU CG C 36.308 . 1 710 . 69 GLU HB2 H 2.152 . 1 711 . 69 GLU HG3 H 2.458 . 1 712 . 70 GLN H H 6.845 . 1 713 . 70 GLN N N 115.180 . 1 714 . 70 GLN CA C 54.896 . 1 715 . 70 GLN HA H 4.588 . 1 716 . 70 GLN C C 174.773 . 1 717 . 70 GLN CB C 30.427 . 1 718 . 70 GLN HB3 H 2.546 . 2 719 . 70 GLN CG C 34.354 . 1 720 . 70 GLN HG3 H 2.380 . 2 721 . 70 GLN NE2 N 112.138 . 1 722 . 70 GLN HE21 H 6.872 . 2 723 . 70 GLN HE22 H 7.704 . 2 724 . 70 GLN HB2 H 1.282 . 2 725 . 70 GLN HG2 H 2.243 . 2 726 . 71 SER H H 7.311 . 1 727 . 71 SER N N 119.238 . 1 728 . 71 SER CA C 59.607 . 1 729 . 71 SER HA H 4.689 . 1 730 . 71 SER C C 171.967 . 1 731 . 71 SER CB C 62.720 . 1 732 . 71 SER HB2 H 3.176 . 2 733 . 71 SER HB3 H 2.872 . 2 734 . 72 THR H H 8.815 . 1 735 . 72 THR N N 113.752 . 1 736 . 72 THR CA C 60.400 . 1 737 . 72 THR HA H 5.024 . 1 738 . 72 THR C C 172.821 . 1 739 . 72 THR CB C 72.581 . 1 740 . 72 THR HB H 4.219 . 1 741 . 72 THR CG2 C 20.974 . 1 742 . 72 THR HG2 H 1.057 . 1 743 . 73 PHE H H 8.569 . 1 744 . 73 PHE N N 115.731 . 1 745 . 73 PHE CA C 56.126 . 1 746 . 73 PHE HA H 5.832 . 1 747 . 73 PHE C C 172.746 . 1 748 . 73 PHE CB C 43.845 . 1 749 . 73 PHE HB3 H 3.132 . 2 750 . 73 PHE CD1 C 132.202 . 2 751 . 73 PHE HD1 H 6.994 . 2 752 . 73 PHE CE1 C 132.406 . 2 753 . 73 PHE HE1 H 7.424 . 2 754 . 73 PHE CZ C 131.275 . 1 755 . 73 PHE HZ H 7.542 . 1 756 . 73 PHE HB2 H 2.940 . 2 757 . 74 LYS H H 9.192 . 1 758 . 74 LYS N N 120.841 . 1 759 . 74 LYS CA C 55.147 . 1 760 . 74 LYS HA H 4.593 . 1 761 . 74 LYS C C 174.308 . 1 762 . 74 LYS CB C 36.933 . 1 763 . 74 LYS HB2 H 1.825 . 2 764 . 74 LYS CG C 24.890 . 1 765 . 74 LYS HG3 H 1.439 . 2 766 . 74 LYS CD C 29.386 . 1 767 . 74 LYS CE C 42.263 . 1 768 . 74 LYS HB3 H 1.740 . 2 769 . 74 LYS HG2 H 1.395 . 2 770 . 74 LYS HD2 H 1.747 . 1 771 . 74 LYS HE2 H 2.978 . 1 772 . 75 VAL H H 9.128 . 1 773 . 75 VAL N N 125.868 . 1 774 . 75 VAL CA C 63.407 . 1 775 . 75 VAL HA H 4.231 . 1 776 . 75 VAL C C 174.896 . 1 777 . 75 VAL CB C 31.914 . 1 778 . 75 VAL HB H 2.156 . 1 779 . 75 VAL CG1 C 21.835 . 1 780 . 75 VAL HG1 H 0.889 . 1 781 . 75 VAL CG2 C 22.060 . 1 782 . 75 VAL HG2 H 1.184 . 1 783 . 76 LEU H H 8.649 . 1 784 . 76 LEU N N 129.347 . 1 785 . 76 LEU CA C 53.804 . 1 786 . 76 LEU HA H 4.992 . 1 787 . 76 LEU C C 177.005 . 1 788 . 76 LEU CB C 43.502 . 1 789 . 76 LEU CG C 28.096 . 1 790 . 76 LEU CD1 C 25.668 . 1 791 . 76 LEU HD1 H 0.904 . 1 792 . 76 LEU CD2 C 24.106 . 1 793 . 76 LEU HD2 H 0.982 . 1 794 . 76 LEU HG H 1.645 . 1 795 . 76 LEU HB2 H 2.018 . 1 796 . 77 SER H H 8.760 . 1 797 . 77 SER N N 114.831 . 1 798 . 77 SER CA C 61.884 . 1 799 . 77 SER HA H 4.404 . 1 800 . 77 SER C C 176.744 . 1 801 . 77 SER CB C 62.989 . 1 802 . 77 SER HB2 H 4.077 . 1 803 . 78 THR H H 7.518 . 1 804 . 78 THR N N 105.365 . 1 805 . 78 THR CA C 61.088 . 1 806 . 78 THR HA H 4.480 . 1 807 . 78 THR C C 172.869 . 1 808 . 78 THR CB C 70.340 . 1 809 . 78 THR HB H 4.449 . 1 810 . 78 THR CG2 C 22.011 . 1 811 . 78 THR HG2 H 1.209 . 1 812 . 79 LYS H H 7.145 . 1 813 . 79 LYS N N 114.053 . 1 814 . 79 LYS CA C 55.621 . 1 815 . 79 LYS HA H 5.135 . 1 816 . 79 LYS C C 173.329 . 1 817 . 79 LYS CB C 33.835 . 1 818 . 79 LYS HB2 H 2.241 . 2 819 . 79 LYS CG C 22.985 . 1 820 . 79 LYS HG3 H 1.373 . 2 821 . 79 LYS CD C 29.861 . 1 822 . 79 LYS HD3 H 1.594 . 2 823 . 79 LYS CE C 42.074 . 1 824 . 79 LYS HE3 H 2.865 . 2 825 . 79 LYS HB3 H 1.670 . 2 826 . 79 LYS HG2 H 1.057 . 2 827 . 79 LYS HD2 H 1.514 . 2 828 . 79 LYS HE2 H 2.811 . 2 829 . 80 ILE H H 8.592 . 1 830 . 80 ILE N N 117.628 . 1 831 . 80 ILE CA C 60.733 . 1 832 . 80 ILE HA H 4.906 . 1 833 . 80 ILE C C 174.630 . 1 834 . 80 ILE CB C 41.239 . 1 835 . 80 ILE HB H 1.797 . 1 836 . 80 ILE CG2 C 16.699 . 1 837 . 80 ILE HG2 H 0.910 . 1 838 . 80 ILE CG1 C 28.347 . 1 839 . 80 ILE HG13 H 1.865 . 2 840 . 80 ILE CD1 C 15.700 . 1 841 . 80 ILE HD1 H 0.894 . 1 842 . 80 ILE HG12 H 1.189 . 2 843 . 81 GLU H H 9.047 . 1 844 . 81 GLU N N 127.187 . 1 845 . 81 GLU CA C 55.231 . 1 846 . 81 GLU HA H 5.233 . 1 847 . 81 GLU C C 175.054 . 1 848 . 81 GLU CB C 33.988 . 1 849 . 81 GLU HB3 H 1.981 . 2 850 . 81 GLU CG C 37.521 . 1 851 . 81 GLU HG3 H 2.073 . 2 852 . 81 GLU HB2 H 1.855 . 2 853 . 81 GLU HG2 H 1.950 . 2 854 . 82 ILE H H 9.919 . 1 855 . 82 ILE N N 130.005 . 1 856 . 82 ILE CA C 61.159 . 1 857 . 82 ILE HA H 4.770 . 1 858 . 82 ILE C C 173.759 . 1 859 . 82 ILE CB C 40.504 . 1 860 . 82 ILE HB H 1.985 . 1 861 . 82 ILE CG2 C 18.691 . 1 862 . 82 ILE HG2 H 1.140 . 1 863 . 82 ILE CG1 C 28.248 . 1 864 . 82 ILE HG13 H 1.683 . 2 865 . 82 ILE CD1 C 13.824 . 1 866 . 82 ILE HD1 H 0.659 . 1 867 . 82 ILE HG12 H 0.988 . 2 868 . 83 LYS H H 9.308 . 1 869 . 83 LYS N N 126.676 . 1 870 . 83 LYS CA C 55.728 . 1 871 . 83 LYS HA H 5.062 . 1 872 . 83 LYS C C 174.883 . 1 873 . 83 LYS CB C 33.800 . 1 874 . 83 LYS HB2 H 1.853 . 2 875 . 83 LYS CG C 25.927 . 1 876 . 83 LYS HG3 H 1.415 . 2 877 . 83 LYS CD C 29.495 . 1 878 . 83 LYS CE C 41.829 . 1 879 . 83 LYS HE3 H 2.820 . 2 880 . 83 LYS HB3 H 1.421 . 2 881 . 83 LYS HG2 H 1.132 . 2 882 . 83 LYS HD2 H 1.540 . 1 883 . 83 LYS HE2 H 2.723 . 2 884 . 84 LEU H H 9.640 . 1 885 . 84 LEU N N 123.402 . 1 886 . 84 LEU CA C 52.237 . 1 887 . 84 LEU HA H 4.538 . 1 888 . 84 LEU C C 176.421 . 1 889 . 84 LEU CB C 41.923 . 1 890 . 84 LEU HB3 H 1.799 . 2 891 . 84 LEU CG C 26.482 . 1 892 . 84 LEU CD1 C 26.253 . 1 893 . 84 LEU HD1 H 0.870 . 1 894 . 84 LEU CD2 C 24.406 . 1 895 . 84 LEU HD2 H 0.927 . 1 896 . 84 LEU HG H 1.715 . 1 897 . 84 LEU HB2 H 1.298 . 2 898 . 85 LYS H H 7.712 . 1 899 . 85 LYS N N 123.994 . 1 900 . 85 LYS CA C 54.646 . 1 901 . 85 LYS HA H 4.502 . 1 902 . 85 LYS C C 175.605 . 1 903 . 85 LYS CB C 33.139 . 1 904 . 85 LYS HB2 H 1.857 . 2 905 . 85 LYS CG C 23.839 . 1 906 . 85 LYS CD C 28.287 . 1 907 . 85 LYS HB3 H 1.405 . 2 908 . 85 LYS HG2 H 1.123 . 1 909 . 86 LYS H H 8.414 . 1 910 . 86 LYS N N 127.167 . 1 911 . 86 LYS CA C 55.394 . 1 912 . 86 LYS HA H 4.705 . 1 913 . 86 LYS CB C 34.462 . 1 914 . 86 LYS HB2 H 1.972 . 2 915 . 86 LYS HB3 H 2.298 . 2 916 . 86 LYS HG2 H 0.995 . 1 917 . 87 PRO CA C 63.587 . 1 918 . 87 PRO HA H 4.516 . 1 919 . 87 PRO C C 175.568 . 1 920 . 87 PRO CB C 31.870 . 1 921 . 87 PRO HB3 H 2.251 . 2 922 . 87 PRO CG C 27.440 . 1 923 . 87 PRO HG3 H 2.109 . 2 924 . 87 PRO CD C 51.978 . 1 925 . 87 PRO HD3 H 4.435 . 2 926 . 87 PRO HB2 H 2.077 . 2 927 . 87 PRO HG2 H 1.878 . 2 928 . 87 PRO HD2 H 4.234 . 2 929 . 88 GLU H H 6.938 . 1 930 . 88 GLU N N 113.037 . 1 931 . 88 GLU CA C 54.032 . 1 932 . 88 GLU HA H 4.574 . 1 933 . 88 GLU C C 175.048 . 1 934 . 88 GLU CB C 32.918 . 1 935 . 88 GLU HB3 H 2.038 . 2 936 . 88 GLU CG C 34.996 . 1 937 . 88 GLU HB2 H 1.881 . 2 938 . 88 GLU HG3 H 2.168 . 1 939 . 89 ALA H H 8.759 . 1 940 . 89 ALA N N 127.973 . 1 941 . 89 ALA CA C 52.330 . 1 942 . 89 ALA HA H 4.714 . 1 943 . 89 ALA C C 175.970 . 1 944 . 89 ALA CB C 16.980 . 1 945 . 89 ALA HB H 1.342 . 1 946 . 90 VAL H H 7.741 . 1 947 . 90 VAL N N 122.894 . 1 948 . 90 VAL CA C 59.952 . 1 949 . 90 VAL HA H 4.336 . 1 950 . 90 VAL C C 175.114 . 1 951 . 90 VAL CB C 34.898 . 1 952 . 90 VAL HB H 2.027 . 1 953 . 90 VAL CG1 C 20.417 . 1 954 . 90 VAL HG1 H 0.746 . 1 955 . 90 VAL CG2 C 20.417 . 1 956 . 90 VAL HG2 H 0.784 . 1 957 . 91 ARG H H 8.964 . 1 958 . 91 ARG N N 128.956 . 1 959 . 91 ARG CA C 56.263 . 1 960 . 91 ARG HA H 4.321 . 1 961 . 91 ARG C C 176.752 . 1 962 . 91 ARG CB C 30.067 . 1 963 . 91 ARG HB3 H 1.878 . 2 964 . 91 ARG CG C 27.771 . 1 965 . 91 ARG HG3 H 1.591 . 2 966 . 91 ARG CD C 43.150 . 1 967 . 91 ARG NE N 84.738 . 1 968 . 91 ARG HE H 7.323 . 1 969 . 91 ARG HB2 H 1.761 . 2 970 . 91 ARG HG2 H 1.398 . 2 971 . 91 ARG HD2 H 3.218 . 1 972 . 92 TRP H H 10.399 . 1 973 . 92 TRP N N 131.904 . 1 974 . 92 TRP CA C 57.589 . 1 975 . 92 TRP HA H 4.805 . 1 976 . 92 TRP C C 177.536 . 1 977 . 92 TRP CB C 28.527 . 1 978 . 92 TRP HB3 H 3.700 . 2 979 . 92 TRP CD1 C 123.650 . 1 980 . 92 TRP HD1 H 7.468 . 1 981 . 92 TRP NE1 N 128.440 . 1 982 . 92 TRP HE1 H 10.932 . 1 983 . 92 TRP CE3 C 122.644 . 1 984 . 92 TRP HE3 H 7.876 . 1 985 . 92 TRP CZ2 C 115.285 . 1 986 . 92 TRP HZ2 H 7.239 . 1 987 . 92 TRP CZ3 C 122.202 . 1 988 . 92 TRP HZ3 H 7.307 . 1 989 . 92 TRP CH2 C 126.840 . 1 990 . 92 TRP HH2 H 7.206 . 1 991 . 92 TRP HB2 H 3.316 . 2 992 . 93 GLU H H 9.641 . 1 993 . 93 GLU N N 124.575 . 1 994 . 93 GLU CA C 59.018 . 1 995 . 93 GLU HA H 4.318 . 1 996 . 93 GLU C C 175.425 . 1 997 . 93 GLU CB C 29.907 . 1 998 . 93 GLU HB3 H 2.236 . 2 999 . 93 GLU CG C 36.268 . 1 1000 . 93 GLU HB2 H 2.138 . 2 1001 . 93 GLU HG3 H 2.482 . 1 1002 . 94 LYS H H 7.827 . 1 1003 . 94 LYS N N 114.102 . 1 1004 . 94 LYS CA C 54.610 . 1 1005 . 94 LYS HA H 4.779 . 1 1006 . 94 LYS C C 172.575 . 1 1007 . 94 LYS CB C 34.993 . 1 1008 . 94 LYS HB2 H 2.195 . 2 1009 . 94 LYS CG C 23.937 . 1 1010 . 94 LYS HG3 H 1.514 . 2 1011 . 94 LYS CD C 29.859 . 1 1012 . 94 LYS CE C 42.121 . 1 1013 . 94 LYS HB3 H 1.944 . 2 1014 . 94 LYS HG2 H 1.372 . 2 1015 . 94 LYS HD2 H 1.789 . 1 1016 . 94 LYS HE2 H 3.068 . 1 1017 . 95 LEU H H 7.799 . 1 1018 . 95 LEU N N 118.335 . 1 1019 . 95 LEU CA C 57.057 . 1 1020 . 95 LEU HA H 3.931 . 1 1021 . 95 LEU C C 176.620 . 1 1022 . 95 LEU CB C 42.496 . 1 1023 . 95 LEU HB3 H 1.189 . 2 1024 . 95 LEU CG C 26.039 . 1 1025 . 95 LEU CD1 C 23.319 . 1 1026 . 95 LEU HD1 H 0.380 . 1 1027 . 95 LEU CD2 C 25.483 . 1 1028 . 95 LEU HD2 H 0.410 . 1 1029 . 95 LEU HG H 0.932 . 1 1030 . 95 LEU HB2 H -0.176 . 2 1031 . 96 GLU H H 7.634 . 1 1032 . 96 GLU N N 113.421 . 1 1033 . 96 GLU CA C 55.241 . 1 1034 . 96 GLU HA H 4.879 . 1 1035 . 96 GLU C C 176.974 . 1 1036 . 96 GLU CB C 33.225 . 1 1037 . 96 GLU HB3 H 2.165 . 2 1038 . 96 GLU CG C 37.637 . 1 1039 . 96 GLU HB2 H 1.962 . 2 1040 . 96 GLU HG3 H 2.139 . 1 1041 . 97 GLY H H 8.057 . 1 1042 . 97 GLY N N 106.423 . 1 1043 . 97 GLY CA C 44.977 . 1 1044 . 97 GLY HA3 H 4.033 . 2 1045 . 97 GLY C C 173.042 . 1 1046 . 97 GLY HA2 H 3.554 . 2 1047 . 98 GLN H H 8.204 . 1 1048 . 98 GLN N N 119.064 . 1 1049 . 98 GLN CA C 55.650 . 1 1050 . 98 GLN HA H 4.387 . 1 1051 . 98 GLN C C 176.201 . 1 1052 . 98 GLN CB C 30.068 . 1 1053 . 98 GLN HB3 H 2.126 . 2 1054 . 98 GLN CG C 33.856 . 1 1055 . 98 GLN NE2 N 112.003 . 1 1056 . 98 GLN HE21 H 6.819 . 2 1057 . 98 GLN HE22 H 7.582 . 2 1058 . 98 GLN HB2 H 1.980 . 2 1059 . 98 GLN HG2 H 2.335 . 1 1060 . 99 GLY HA2 H 3.888 . 1 1061 . 99 GLY H H 8.383 . 1 1062 . 99 GLY N N 110.176 . 1 1063 . 99 GLY CA C 45.359 . 1 1064 . 99 GLY C C 173.519 . 1 1065 . 100 ASP H H 8.284 . 1 1066 . 100 ASP N N 120.124 . 1 1067 . 100 ASP CA C 54.102 . 1 1068 . 100 ASP HA H 4.627 . 1 1069 . 100 ASP C C 175.981 . 1 1070 . 100 ASP CB C 41.096 . 1 1071 . 100 ASP HB3 H 2.742 . 2 1072 . 100 ASP HB2 H 2.610 . 2 1073 . 101 VAL H H 8.158 . 1 1074 . 101 VAL N N 121.502 . 1 1075 . 101 VAL CA C 59.988 . 1 1076 . 101 VAL HA H 4.408 . 1 1077 . 101 VAL CB C 32.576 . 1 1078 . 101 VAL HB H 2.104 . 1 1079 . 101 VAL CG1 C 20.386 . 1 1080 . 101 VAL HG1 H 0.950 . 1 1081 . 101 VAL CG2 C 21.226 . 1 1082 . 101 VAL HG2 H 0.997 . 1 1083 . 102 PRO CA C 63.143 . 1 1084 . 102 PRO HA H 4.449 . 1 1085 . 102 PRO C C 176.605 . 1 1086 . 102 PRO CB C 32.126 . 1 1087 . 102 PRO HB3 H 2.200 . 2 1088 . 102 PRO CG C 27.389 . 1 1089 . 102 PRO HG3 H 2.006 . 2 1090 . 102 PRO CD C 51.025 . 1 1091 . 102 PRO HD3 H 3.827 . 1 1092 . 102 PRO HB2 H 1.872 . 2 1093 . 102 PRO HG2 H 1.868 . 2 1094 . 102 PRO HD2 H 3.698 . 1 1095 . 103 THR H H 8.255 . 1 1096 . 103 THR N N 117.343 . 1 1097 . 103 THR CA C 60.021 . 1 1098 . 103 THR HA H 4.557 . 1 1099 . 103 THR CB C 69.751 . 1 1100 . 103 THR HB H 4.149 . 1 1101 . 103 THR CG2 C 21.389 . 1 1102 . 103 THR HG2 H 1.281 . 1 1103 . 104 PRO CA C 63.388 . 1 1104 . 104 PRO HA H 4.406 . 1 1105 . 104 PRO C C 176.878 . 1 1106 . 104 PRO CB C 32.222 . 1 1107 . 104 PRO HB3 H 2.304 . 2 1108 . 104 PRO CG C 27.523 . 1 1109 . 104 PRO CD C 51.112 . 1 1110 . 104 PRO HD3 H 3.868 . 2 1111 . 104 PRO HB2 H 1.886 . 2 1112 . 104 PRO HG2 H 2.017 . 1 1113 . 104 PRO HD2 H 3.699 . 2 1114 . 105 LYS H H 8.342 . 1 1115 . 105 LYS N N 121.490 . 1 1116 . 105 LYS CA C 56.476 . 1 1117 . 105 LYS HA H 4.240 . 1 1118 . 105 LYS C C 176.405 . 1 1119 . 105 LYS CB C 33.033 . 1 1120 . 105 LYS CG C 24.813 . 1 1121 . 105 LYS CD C 28.982 . 1 1122 . 105 LYS CE C 42.013 . 1 1123 . 105 LYS HB2 H 1.757 . 1 1124 . 105 LYS HG2 H 1.440 . 1 1125 . 105 LYS HD2 H 1.694 . 1 1126 . 105 LYS HE2 H 3.005 . 1 1127 . 106 GLN H H 8.279 . 1 1128 . 106 GLN N N 120.951 . 1 1129 . 106 GLN CA C 55.853 . 1 1130 . 106 GLN HA H 4.308 . 1 1131 . 106 GLN C C 175.333 . 1 1132 . 106 GLN CB C 29.745 . 1 1133 . 106 GLN CG C 33.779 . 1 1134 . 106 GLN NE2 N 112.181 . 1 1135 . 106 GLN HE21 H 6.880 . 2 1136 . 106 GLN HE22 H 7.464 . 2 1137 . 106 GLN HB2 H 1.957 . 1 1138 . 106 GLN HG2 H 2.252 . 1 1139 . 107 PHE H H 8.314 . 1 1140 . 107 PHE N N 121.903 . 1 1141 . 107 PHE CA C 57.776 . 1 1142 . 107 PHE HA H 4.665 . 1 1143 . 107 PHE C C 175.201 . 1 1144 . 107 PHE CB C 39.775 . 1 1145 . 107 PHE HB3 H 3.107 . 2 1146 . 107 PHE CD1 C 132.501 . 2 1147 . 107 PHE HD1 H 7.237 . 2 1148 . 107 PHE CE1 C 132.064 . 2 1149 . 107 PHE HE1 H 7.331 . 2 1150 . 107 PHE CZ C 130.470 . 1 1151 . 107 PHE HZ H 7.287 . 1 1152 . 107 PHE HB2 H 3.040 . 2 1153 . 108 VAL H H 7.977 . 1 1154 . 108 VAL N N 123.115 . 1 1155 . 108 VAL CA C 61.939 . 1 1156 . 108 VAL HA H 4.061 . 1 1157 . 108 VAL C C 175.047 . 1 1158 . 108 VAL CB C 33.177 . 1 1159 . 108 VAL HB H 1.992 . 1 1160 . 108 VAL CG1 C 21.208 . 1 1161 . 108 VAL HG1 H 0.910 . 1 1162 . 108 VAL CG2 C 20.610 . 1 1163 . 108 VAL HG2 H 0.910 . 1 1164 . 109 ALA H H 8.258 . 1 1165 . 109 ALA N N 127.777 . 1 1166 . 109 ALA CA C 52.380 . 1 1167 . 109 ALA HA H 4.258 . 1 1168 . 109 ALA C C 177.084 . 1 1169 . 109 ALA CB C 19.454 . 1 1170 . 109 ALA HB H 1.394 . 1 1171 . 110 ASP H H 8.280 . 1 1172 . 110 ASP N N 119.998 . 1 1173 . 110 ASP CA C 54.111 . 1 1174 . 110 ASP HA H 4.651 . 1 1175 . 110 ASP C C 176.056 . 1 1176 . 110 ASP CB C 41.172 . 1 1177 . 110 ASP HB2 H 2.682 . 1 1178 . 111 VAL H H 8.032 . 1 1179 . 111 VAL N N 120.467 . 1 1180 . 111 VAL CA C 62.439 . 1 1181 . 111 VAL HA H 4.116 . 1 1182 . 111 VAL C C 176.027 . 1 1183 . 111 VAL CB C 32.811 . 1 1184 . 111 VAL HB H 2.126 . 1 1185 . 111 VAL CG1 C 21.246 . 1 1186 . 111 VAL HG1 H 0.941 . 1 1187 . 111 VAL CG2 C 20.340 . 1 1188 . 111 VAL HG2 H 0.941 . 1 1189 . 112 LYS H H 8.362 . 1 1190 . 112 LYS N N 124.295 . 1 1191 . 112 LYS CA C 56.272 . 1 1192 . 112 LYS HA H 4.352 . 1 1193 . 112 LYS C C 176.010 . 1 1194 . 112 LYS CB C 33.080 . 1 1195 . 112 LYS HB2 H 1.829 . 2 1196 . 112 LYS CG C 24.757 . 1 1197 . 112 LYS CD C 28.958 . 1 1198 . 112 LYS CE C 41.920 . 1 1199 . 112 LYS HB3 H 1.780 . 2 1200 . 112 LYS HG2 H 1.434 . 1 1201 . 112 LYS HD2 H 1.694 . 1 1202 . 112 LYS HE2 H 3.010 . 1 1203 . 113 ASN H H 8.352 . 1 1204 . 113 ASN N N 120.032 . 1 1205 . 113 ASN CA C 53.301 . 1 1206 . 113 ASN HA H 4.757 . 1 1207 . 113 ASN C C 173.882 . 1 1208 . 113 ASN CB C 39.024 . 1 1209 . 113 ASN HB2 H 2.857 . 2 1210 . 113 ASN ND2 N 112.497 . 1 1211 . 113 ASN HD21 H 6.868 . 2 1212 . 113 ASN HD22 H 7.623 . 2 1213 . 113 ASN HB3 H 2.727 . 2 1214 . 114 LEU H H 7.798 . 1 1215 . 114 LEU N N 127.711 . 1 1216 . 114 LEU CA C 56.826 . 1 1217 . 114 LEU HA H 4.198 . 1 1218 . 114 LEU CB C 43.458 . 1 1219 . 114 LEU CG C 27.236 . 1 1220 . 114 LEU CD1 C 25.284 . 1 1221 . 114 LEU HD1 H 0.925 . 1 1222 . 114 LEU CD2 C 23.661 . 1 1223 . 114 LEU HD2 H 0.884 . 1 1224 . 114 LEU HG H 1.609 . 1 1225 . 114 LEU HB2 H 1.604 . 1 stop_ save_