data_5678 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C assigned Chemical shift for HNF-6a ; _BMRB_accession_number 5678 _BMRB_flat_file_name bmr5678.str _Entry_type original _Submission_date 2003-01-28 _Accession_date 2003-01-28 _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 Sheng Wanyun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 795 "13C chemical shifts" 608 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-13 original author . stop_ _Original_release_date 2004-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C, and 15N resonance assignments of the hepatocyte nuclear factor 6alpha (HNF-6alpha) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sheng Wanyun . . 2 Tan Yongjun . . 3 Liao Xiubei . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 401 _Page_last 402 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_HNF6 _Saveframe_category molecular_system _Mol_system_name 'HNF6 protein' _Abbreviation_common HNF6 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'lysozyme HNF6' $HNF6 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HNF6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HNF6 _Abbreviation_common HNF6 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; MGQMEEINTKEVAQRITTEL KRYSIPQAIFAQRVLCRSQG TLSDLLRNPKPWSKLKSGRE TFRRMWKWLQEPEFQRMSAL RLAACKRKEQEHGKDRGNTP KKPRLVFTDVQRRTLHAIFK ENKRPSKELQITISQQLGLE LSTVSNFFMNARRRSLDKWQ DL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 GLN 4 MET 5 GLU 6 GLU 7 ILE 8 ASN 9 THR 10 LYS 11 GLU 12 VAL 13 ALA 14 GLN 15 ARG 16 ILE 17 THR 18 THR 19 GLU 20 LEU 21 LYS 22 ARG 23 TYR 24 SER 25 ILE 26 PRO 27 GLN 28 ALA 29 ILE 30 PHE 31 ALA 32 GLN 33 ARG 34 VAL 35 LEU 36 CYS 37 ARG 38 SER 39 GLN 40 GLY 41 THR 42 LEU 43 SER 44 ASP 45 LEU 46 LEU 47 ARG 48 ASN 49 PRO 50 LYS 51 PRO 52 TRP 53 SER 54 LYS 55 LEU 56 LYS 57 SER 58 GLY 59 ARG 60 GLU 61 THR 62 PHE 63 ARG 64 ARG 65 MET 66 TRP 67 LYS 68 TRP 69 LEU 70 GLN 71 GLU 72 PRO 73 GLU 74 PHE 75 GLN 76 ARG 77 MET 78 SER 79 ALA 80 LEU 81 ARG 82 LEU 83 ALA 84 ALA 85 CYS 86 LYS 87 ARG 88 LYS 89 GLU 90 GLN 91 GLU 92 HIS 93 GLY 94 LYS 95 ASP 96 ARG 97 GLY 98 ASN 99 THR 100 PRO 101 LYS 102 LYS 103 PRO 104 ARG 105 LEU 106 VAL 107 PHE 108 THR 109 ASP 110 VAL 111 GLN 112 ARG 113 ARG 114 THR 115 LEU 116 HIS 117 ALA 118 ILE 119 PHE 120 LYS 121 GLU 122 ASN 123 LYS 124 ARG 125 PRO 126 SER 127 LYS 128 GLU 129 LEU 130 GLN 131 ILE 132 THR 133 ILE 134 SER 135 GLN 136 GLN 137 LEU 138 GLY 139 LEU 140 GLU 141 LEU 142 SER 143 THR 144 VAL 145 SER 146 ASN 147 PHE 148 PHE 149 MET 150 ASN 151 ALA 152 ARG 153 ARG 154 ARG 155 SER 156 LEU 157 ASP 158 LYS 159 TRP 160 GLN 161 ASP 162 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 1S7E "Solution Structure Of Hnf-6" 90.74 147 100.00 100.00 5.28e-102 PDB 2D5V "Crystal Structure Of Hnf-6alpha Dna-Binding Domain In Complex With The Ttr Promoter" 96.30 164 100.00 100.00 3.97e-109 DBJ BAG73498 "one cut homeobox 1 [synthetic construct]" 98.77 465 100.00 100.00 9.78e-113 EMBL CAA65389 "hepatocyte nuclear factor 6 alpha [Rattus norvegicus]" 98.77 465 100.00 100.00 1.19e-112 EMBL CAB50769 "hepatocyte nuclear factor 6 [Homo sapiens]" 50.62 368 100.00 100.00 6.40e-51 GB AAB53863 "hepatocyte nuclear factor 6 [Mus musculus]" 98.77 465 100.00 100.00 9.16e-113 GB AAB61705 "hepatocyte nuclear factor 6 [Homo sapiens]" 98.77 292 98.13 99.38 2.70e-111 GB AAD00826 "hepatocyte nuclear factor-6 alpha [Homo sapiens]" 98.77 465 100.00 100.00 9.78e-113 GB AAD02033 "hepatocyte nuclear factor 6 [Homo sapiens]" 98.77 465 100.00 100.00 9.78e-113 GB AAH24053 "One cut domain, family member 1 [Mus musculus]" 98.77 465 100.00 100.00 9.16e-113 REF NP_001178090 "hepatocyte nuclear factor 6 [Bos taurus]" 98.77 465 100.00 100.00 1.34e-112 REF NP_004489 "hepatocyte nuclear factor 6 [Homo sapiens]" 98.77 465 100.00 100.00 9.78e-113 REF NP_032288 "hepatocyte nuclear factor 6 [Mus musculus]" 98.77 465 100.00 100.00 9.16e-113 REF NP_073162 "hepatocyte nuclear factor 6 [Rattus norvegicus]" 98.77 465 100.00 100.00 1.19e-112 REF XP_001084951 "PREDICTED: hepatocyte nuclear factor 6-like [Macaca mulatta]" 98.77 363 100.00 100.00 6.40e-113 SP O08755 "RecName: Full=Hepatocyte nuclear factor 6; Short=HNF-6; AltName: Full=One cut domain family member 1; AltName: Full=One cut hom" 98.77 465 100.00 100.00 9.16e-113 SP P70512 "RecName: Full=Hepatocyte nuclear factor 6; Short=HNF-6; AltName: Full=One cut domain family member 1; AltName: Full=One cut hom" 98.77 465 100.00 100.00 1.19e-112 SP Q9UBC0 "RecName: Full=Hepatocyte nuclear factor 6; Short=HNF-6; AltName: Full=One cut domain family member 1; AltName: Full=One cut hom" 98.77 465 100.00 100.00 9.78e-113 TPG DAA25246 "TPA: one cut homeobox 1 [Bos taurus]" 98.77 465 100.00 100.00 1.34e-112 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HNF6 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $HNF6 'purified from the natural source' . . . . . 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 $HNF6 . mM 1 2 '[U-13C; U-15N; U-2H]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 295 0.2 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.00 external indirect . . . 0.251449530 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'lysozyme HNF6' _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 MET CA C 53.1 0.5 1 2 . 1 MET C C 173.33 0.5 1 3 . 2 GLY H H 8.2 0.05 1 4 . 2 GLY N N 112.77 0.5 1 5 . 2 GLY CA C 42.86 0.5 1 6 . 2 GLY C C 175.69 0.5 1 7 . 2 GLY HA2 H 4.19 0.05 1 8 . 3 GLN H H 7.95 0.05 1 9 . 3 GLN N N 119 0.5 1 10 . 3 GLN CA C 59.16 0.5 1 11 . 3 GLN CB C 30.38 0.5 1 12 . 3 GLN C C 175.99 0.5 1 13 . 3 GLN HA H 4.5 0.05 1 14 . 3 GLN HB2 H 2.04 0.05 1 15 . 3 GLN HB3 H 2.04 0.05 1 16 . 3 GLN HG2 H 2.12 0.05 1 17 . 3 GLN HG3 H 2.12 0.05 1 18 . 3 GLN CG C 30.25 0.5 1 19 . 4 MET H H 8.33 0.05 1 20 . 4 MET N N 124.2 0.5 1 21 . 4 MET CA C 54.98 0.5 1 22 . 4 MET HA H 4.43 0.05 1 23 . 6 GLU H H 7.74 0.05 1 24 . 6 GLU N N 121.4 0.5 1 25 . 6 GLU CA C 54.19 0.5 1 26 . 6 GLU C C 175.68 0.5 1 27 . 6 GLU CB C 27.28 0.5 1 28 . 6 GLU HA H 3.90 0.05 1 29 . 7 ILE H H 5.75 0.05 1 30 . 7 ILE N N 118.3 0.5 1 31 . 7 ILE CA C 56.9 0.5 1 32 . 7 ILE C C 176.59 0.5 1 33 . 7 ILE HA H 3.12 0.05 1 34 . 8 ASN H H 8.47 0.05 1 35 . 8 ASN N N 124.5 0.5 1 36 . 8 ASN CA C 49.2 0.5 1 37 . 8 ASN C C 177.82 0.5 1 38 . 8 ASN CB C 35.12 0.5 1 39 . 8 ASN HA H 4.54 0.05 1 40 . 8 ASN HB2 H 2.78 0.05 1 41 . 8 ASN HB3 H 2.78 0.05 1 42 . 9 THR H H 8.36 0.05 1 43 . 9 THR N N 116.6 0.5 1 44 . 9 THR CA C 61.75 0.5 1 45 . 9 THR C C 176.1 0.5 1 46 . 9 THR CB C 68.62 0.5 1 47 . 9 THR HA H 4.52 0.05 1 48 . 9 THR HB H 4.35 0.05 1 49 . 9 THR HG2 H 1.01 0.05 1 50 . 9 THR CG2 C 20.08 0.5 1 51 . 10 LYS H H 7.52 0.05 1 52 . 10 LYS N N 121.4 0.5 1 53 . 10 LYS CA C 57.07 0.5 1 54 . 10 LYS C C 175.62 0.5 1 55 . 10 LYS CB C 29.24 0.5 1 56 . 10 LYS HA H 3.67 0.05 1 57 . 10 LYS HB2 H 1.86 0.05 1 58 . 10 LYS HB3 H 1.86 0.05 1 59 . 10 LYS HG2 H 1.29 0.05 1 60 . 10 LYS HG3 H 1.29 0.05 1 61 . 10 LYS HD2 H 1.65 0.05 1 62 . 10 LYS HD3 H 1.65 0.05 1 63 . 10 LYS HE2 H 3.46 0.05 1 64 . 10 LYS HE3 H 3.46 0.05 1 65 . 10 LYS CG C 18.20 0.5 1 66 . 10 LYS CD C 24.97 0.5 1 67 . 10 LYS CE C 43.18 0.5 1 68 . 11 GLU H H 7.44 0.05 1 69 . 11 GLU N N 119.7 0.5 1 70 . 11 GLU CA C 56.38 0.5 1 71 . 11 GLU C C 172.63 0.5 1 72 . 11 GLU CB C 26.83 0.5 1 73 . 11 GLU HA H 3.94 0.05 1 74 . 11 GLU HB2 H 2.02 0.05 1 75 . 11 GLU HB3 H 2.12 0.05 1 76 . 11 GLU HG2 H 2.48 0.05 1 77 . 11 GLU HG3 H 2.48 0.05 1 78 . 11 GLU CG C 29.65 0.5 1 79 . 12 VAL H H 8.36 0.05 1 80 . 12 VAL N N 118.1 0.5 1 81 . 12 VAL CA C 64.46 0.5 1 82 . 12 VAL C C 172.49 0.5 1 83 . 12 VAL CB C 29.16 0.5 1 84 . 12 VAL HA H 4.19 0.05 1 85 . 12 VAL HB H 2.20 0.05 1 86 . 12 VAL HG1 H 1.24 0.05 1 87 . 12 VAL HG2 H 1.24 0.05 1 88 . 12 VAL CG1 C 21.44 0.5 1 89 . 12 VAL CG2 C 21.44 0.5 1 90 . 13 ALA H H 8.53 0.05 1 91 . 13 ALA N N 119.4 0.5 1 92 . 13 ALA CA C 52.91 0.5 1 93 . 13 ALA C C 174.41 0.5 1 94 . 13 ALA CB C 16.2 0.5 1 95 . 13 ALA HA H 4.44 0.05 1 96 . 14 GLN H H 7.89 0.05 1 97 . 14 GLN N N 117.5 0.5 1 98 . 14 GLN CA C 56.25 0.5 1 99 . 14 GLN C C 171.66 0.5 1 100 . 14 GLN CB C 25.62 0.5 1 101 . 14 GLN HA H 3.91 0.05 1 102 . 14 GLN HB2 H 1.81 0.05 1 103 . 14 GLN HB3 H 2.14 0.05 1 104 . 14 GLN HG2 H 2.20 0.05 1 105 . 14 GLN HG3 H 2.20 0.05 1 106 . 14 GLN CG C 21.64 0.5 1 107 . 15 ARG H H 8.53 0.05 1 108 . 15 ARG N N 119.4 0.5 1 109 . 15 ARG CA C 56.78 0.5 1 110 . 15 ARG C C 174.44 0.5 1 111 . 15 ARG CB C 28.07 0.5 1 112 . 15 ARG HA H 3.87 0.05 1 113 . 15 ARG HB2 H 1.78 0.05 1 114 . 15 ARG HB3 H 1.78 0.05 1 115 . 15 ARG HG2 H 1.63 0.05 1 116 . 15 ARG HG3 H 1.63 0.05 1 117 . 15 ARG HD2 H 3.30 0.05 1 118 . 15 ARG HD3 H 3.30 0.05 1 119 . 15 ARG CG C 26.95 0.5 1 120 . 15 ARG CD C 44.64 0.5 1 121 . 16 ILE H H 8.95 0.05 1 122 . 16 ILE N N 119.7 0.5 1 123 . 16 ILE CA C 59.37 0.5 1 124 . 16 ILE C C 172.35 0.5 1 125 . 16 ILE CB C 31.09 0.5 1 126 . 16 ILE HA H 4.17 0.05 1 127 . 16 ILE HB H 1.79 0.05 1 128 . 16 ILE HG12 H 1.36 0.05 1 129 . 16 ILE HG2 H 0.99 0.05 1 130 . 16 ILE HD1 H 0.71 0.05 1 131 . 16 ILE CG1 C 25.52 0.5 1 132 . 16 ILE CG2 C 20.88 0.5 1 133 . 16 ILE CD1 C 17.04 0.5 1 134 . 17 THR H H 7.77 0.05 1 135 . 17 THR N N 114 0.5 1 136 . 17 THR CA C 64.74 0.5 1 137 . 17 THR C C 174.37 0.5 1 138 . 17 THR CB C 65.7 0.5 1 139 . 17 THR HA H 4.46 0.05 1 140 . 17 THR HB H 4.21 0.05 1 141 . 17 THR HG2 H 1.26 0.05 1 142 . 17 THR CG2 C 17.09 0.5 1 143 . 18 THR H H 7.94 0.05 1 144 . 18 THR N N 116.3 0.5 1 145 . 18 THR CA C 63.88 0.5 1 146 . 18 THR C C 174.25 0.5 1 147 . 18 THR CB C 65.83 0.5 1 148 . 18 THR HA H 4.43 0.05 1 149 . 18 THR HB H 4.24 0.05 1 150 . 18 THR HG2 H 1.43 0.05 1 151 . 18 THR CG2 C 17.37 0.5 1 152 . 19 GLU H H 8.76 0.05 1 153 . 19 GLU N N 122.5 0.5 1 154 . 19 GLU CA C 56.43 0.5 1 155 . 19 GLU C C 174.78 0.5 1 156 . 19 GLU CB C 26.70 0.5 1 157 . 19 GLU HB2 H 1.81 0.05 1 158 . 19 GLU HB3 H 2.30 0.05 1 159 . 19 GLU HG2 H 2.72 0.05 1 160 . 19 GLU HG3 H 2.72 0.05 1 161 . 19 GLU CG C 29.72 0.5 1 162 . 20 LEU H H 8.47 0.05 1 163 . 20 LEU N N 116.5 0.5 1 164 . 20 LEU CA C 56 0.5 1 165 . 20 LEU C C 172.85 0.5 1 166 . 20 LEU CB C 36.11 0.5 1 167 . 20 LEU HB2 H 1.55 0.05 1 168 . 20 LEU HB3 H 1.75 0.05 1 169 . 20 LEU HG H 1.50 0.05 1 170 . 20 LEU HD1 H 1.02 0.05 1 171 . 20 LEU HD2 H 1.02 0.05 1 172 . 20 LEU CG C 25.76 0.5 1 173 . 20 LEU CD1 C 20.84 0.5 1 174 . 20 LEU CD2 C 20.84 0.5 1 175 . 21 LYS H H 7.14 0.05 1 176 . 21 LYS N N 116.3 0.5 1 177 . 21 LYS CA C 56.31 0.5 1 178 . 21 LYS C C 171.72 0.5 1 179 . 21 LYS CB C 29.25 0.5 1 180 . 21 LYS HA H 3.9 0.05 1 181 . 21 LYS HB2 H 2.09 0.05 1 182 . 21 LYS HB3 H 2.09 0.05 1 183 . 21 LYS HG2 H 1.32 0.05 1 184 . 21 LYS HG3 H 1.32 0.05 1 185 . 21 LYS HD2 H 1.75 0.05 1 186 . 21 LYS HD3 H 1.75 0.05 1 187 . 21 LYS HE2 H 2.82 0.05 1 188 . 21 LYS HE3 H 2.82 0.05 1 189 . 21 LYS CG C 20.28 0.5 1 190 . 21 LYS CD C 22.47 0.5 1 191 . 21 LYS CE C 39.44 0.5 1 192 . 22 ARG H H 8.12 0.05 1 193 . 22 ARG N N 121.3 0.5 1 194 . 22 ARG CA C 56.68 0.5 1 195 . 22 ARG C C 171.44 0.5 1 196 . 22 ARG CB C 27.19 0.5 1 197 . 22 ARG HA H 4.38 0.05 1 198 . 22 ARG HB2 H 1.65 0.05 1 199 . 22 ARG HB3 H 1.65 0.05 1 200 . 22 ARG HG2 H 1.32 0.05 1 201 . 22 ARG HG3 H 1.32 0.05 1 202 . 22 ARG HD2 H 3.03 0.05 1 203 . 22 ARG HD3 H 3.03 0.05 1 204 . 22 ARG CG C 24.10 0.5 1 205 . 22 ARG CD C 41.15 0.5 1 206 . 23 TYR H H 7.66 0.05 1 207 . 23 TYR N N 115 0.5 1 208 . 23 TYR CA C 54.95 0.5 1 209 . 23 TYR C C 175.74 0.5 1 210 . 23 TYR CB C 36.29 0.5 1 211 . 23 TYR HA H 4.15 0.05 1 212 . 23 TYR HB2 H 3.35 0.05 1 213 . 23 TYR HB3 H 3.47 0.05 1 214 . 23 TYR HD1 H 7.06 0.05 1 215 . 23 TYR HD2 H 7.06 0.05 1 216 . 23 TYR HE1 H 6.59 0.05 1 217 . 23 TYR HE2 H 6.59 0.05 1 218 . 23 TYR CD1 C 130.25 0.5 1 219 . 23 TYR CE1 C 116.58 0.5 1 220 . 24 SER H H 7.77 0.05 1 221 . 24 SER N N 114.7 0.5 1 222 . 24 SER CA C 55.92 0.5 1 223 . 24 SER C C 177.13 0.5 1 224 . 24 SER CB C 58.57 0.5 1 225 . 24 SER HA H 4.17 0.05 1 226 . 24 SER HB2 H 3.75 0.5 1 227 . 24 SER HB3 H 3.85 0.5 1 228 . 25 ILE H H 8.43 0.05 1 229 . 25 ILE N N 121.2 0.5 1 230 . 25 ILE CA C 54.8 0.5 1 231 . 25 ILE C C 177.52 0.5 1 232 . 25 ILE CB C 36.99 0.5 1 233 . 25 ILE HA H 4.43 0.05 1 234 . 26 PRO CA C 59.6 0.5 1 235 . 26 PRO CB C 29.95 0.5 1 236 . 26 PRO HA H 4.18 0.05 1 237 . 26 PRO HB2 H 2.38 0.05 1 238 . 26 PRO HB3 H 2.38 0.05 1 239 . 26 PRO HG2 H 1.95 0.05 1 240 . 26 PRO HG3 H 1.95 0.05 1 241 . 26 PRO HD2 H 3.38 0.05 1 242 . 26 PRO HD3 H 3.38 0.05 1 243 . 27 GLN H H 8.92 0.05 1 244 . 27 GLN N N 125.1 0.5 1 245 . 27 GLN CA C 57.63 0.5 1 246 . 27 GLN C C 173.2 0.5 1 247 . 27 GLN CB C 26.2 0.5 1 248 . 27 GLN HA H 4.24 0.05 1 249 . 27 GLN HB2 H 1.96 0.05 1 250 . 27 GLN HB3 H 2.06 0.05 1 251 . 27 GLN HG2 H 2.30 0.05 1 252 . 27 GLN HG3 H 2.58 0.05 1 253 . 27 GLN CG C 35.47 0.05 1 254 . 28 ALA H H 8.89 0.05 1 255 . 28 ALA N N 117.5 0.5 1 256 . 28 ALA CA C 52.93 0.5 1 257 . 28 ALA C C 173.57 0.5 1 258 . 28 ALA CB C 16.1 0.5 1 259 . 28 ALA HA H 3.63 0.05 1 260 . 29 ILE H H 6.74 0.05 1 261 . 29 ILE N N 115.3 0.5 1 262 . 29 ILE CA C 59.49 0.5 1 263 . 29 ILE C C 171.57 0.5 1 264 . 29 ILE CB C 33.8 0.5 1 265 . 29 ILE HA H 3.62 0.05 1 266 . 29 ILE HB H 1.86 0.05 1 267 . 29 ILE HG12 H 1.27 0.05 1 268 . 29 ILE HG13 H 1.27 0.05 1 269 . 29 ILE HG2 H 0.98 0.05 1 270 . 29 ILE HD1 H 0.73 0.05 1 271 . 29 ILE CG1 C 27.31 0.5 1 272 . 29 ILE CG2 C 21.84 0.5 1 273 . 29 ILE CD1 C 18.36 0.5 1 274 . 30 PHE H H 7.41 0.05 1 275 . 30 PHE N N 120.4 0.5 1 276 . 30 PHE CA C 59.04 0.5 1 277 . 30 PHE C C 174.09 0.5 1 278 . 30 PHE CB C 37.08 0.5 1 279 . 30 PHE HA H 3.93 0.05 1 280 . 30 PHE HB2 H 3.13 0.05 1 281 . 30 PHE HB3 H 3.53 0.05 1 282 . 31 ALA H H 8.62 0.05 1 283 . 31 ALA N N 119.4 0.5 1 284 . 31 ALA CA C 52.13 0.5 1 285 . 31 ALA C C 175.05 0.5 1 286 . 31 ALA CB C 14.85 0.5 1 287 . 31 ALA HA H 4.12 0.05 1 288 . 32 GLN H H 7.62 0.05 1 289 . 32 GLN N N 114.7 0.5 1 290 . 32 GLN CA C 56.26 0.5 1 291 . 32 GLN C C 172.86 0.5 1 292 . 32 GLN CB C 26.99 0.5 1 293 . 32 GLN HA H 4.2 0.05 1 294 . 32 GLN HB2 H 1.90 0.05 1 295 . 32 GLN HB3 H 1.90 0.05 1 296 . 32 GLN HG2 H 2.34 0.05 1 297 . 32 GLN HG3 H 2.34 0.05 1 298 . 32 GLN CG C 31.43 0.5 1 299 . 33 ARG H H 8.24 0.05 1 300 . 33 ARG N N 112.8 0.5 1 301 . 33 ARG CA C 55.55 0.5 1 302 . 33 ARG C C 173.44 0.5 1 303 . 33 ARG CB C 28.27 0.5 1 304 . 33 ARG HA H 4.04 0.05 1 305 . 33 ARG HB2 H 1.84 0.05 1 306 . 33 ARG HB3 H 2.03 0.05 1 307 . 33 ARG HG2 H 1.48 0.05 1 308 . 33 ARG HG3 H 1.48 0.05 1 309 . 33 ARG HD2 H 2.92 0.05 1 310 . 33 ARG HD3 H 2.92 0.05 1 311 . 33 ARG CG C 24.64 0.05 1 312 . 33 ARG CD C 39.20 0.05 1 313 . 34 VAL H H 7.44 0.05 1 314 . 34 VAL N N 114.4 0.5 1 315 . 34 VAL CA C 60.81 0.5 1 316 . 34 VAL C C 175.61 0.5 1 317 . 34 VAL CB C 28.2 0.5 1 318 . 34 VAL HA H 3.58 0.05 1 319 . 34 VAL HB H 2.03 0.05 1 320 . 34 VAL HG1 H 0.97 0.05 1 321 . 34 VAL HG2 H 0.97 0.05 1 322 . 34 VAL CG1 C 24.05 0.05 1 323 . 34 VAL CG2 C 24.05 0.05 1 324 . 35 LEU H H 6.44 0.05 1 325 . 35 LEU N N 111.5 0.5 1 326 . 35 LEU CA C 51.51 0.5 1 327 . 35 LEU C C 175.15 0.5 1 328 . 35 LEU CB C 37.29 0.5 1 329 . 35 LEU HA H 4.51 0.05 1 330 . 35 LEU HB2 H 1.53 0.05 1 331 . 35 LEU HB3 H 1.58 0.05 1 332 . 35 LEU HG H 1.53 0.05 1 333 . 35 LEU HD1 H 1.02 0.05 1 334 . 35 LEU HD2 H 1.02 0.05 1 335 . 35 LEU CG C 25.86 0.5 1 336 . 35 LEU CD1 C 20.61 0.5 1 337 . 35 LEU CD2 C 20.61 0.5 1 338 . 36 CYS H H 7.15 0.05 1 339 . 36 CYS N N 115.8 0.5 1 340 . 36 CYS CA C 55.49 0.5 1 341 . 36 CYS C C 171.74 0.5 1 342 . 36 CYS CB C 34.35 0.5 1 343 . 36 CYS HA H 4.37 0.05 1 344 . 36 CYS HB2 H 3.45 0.05 1 345 . 36 CYS HB3 H 3.45 0.05 1 346 . 37 ARG H H 7.8 0.05 1 347 . 37 ARG N N 116.6 0.5 1 348 . 37 ARG CA C 50.15 0.5 1 349 . 37 ARG C C 171.76 0.5 1 350 . 37 ARG CB C 30.9 0.5 1 351 . 37 ARG HA H 4.4 0.05 1 352 . 37 ARG HB2 H 1.94 0.05 1 353 . 37 ARG HB3 H 1.94 0.05 1 354 . 37 ARG HG2 H 1.30 0.05 1 355 . 37 ARG HG3 H 1.30 0.05 1 356 . 37 ARG HD2 H 3.34 0.05 1 357 . 37 ARG HD3 H 3.34 0.05 1 358 . 37 ARG CG C 24.14 0.5 1 359 . 37 ARG CD C 39.59 0.5 1 360 . 38 SER H H 8.7 0.05 1 361 . 38 SER N N 114.7 0.5 1 362 . 38 SER CA C 55.32 0.5 1 363 . 38 SER C C 176.8 0.5 1 364 . 38 SER HA H 4.54 0.05 1 365 . 38 SER HB2 H 4.04 0.05 1 366 . 38 SER HB3 H 4.18 0.05 1 367 . 39 GLN H H 8.9 0.05 1 368 . 39 GLN N N 120.4 0.5 1 369 . 39 GLN CA C 55.74 0.5 1 370 . 39 GLN C C 176.33 0.5 1 371 . 39 GLN CB C 26.76 0.5 1 372 . 39 GLN HA H 3.73 0.05 1 373 . 39 GLN HB2 H 1.87 0.05 1 374 . 39 GLN HB3 H 1.95 0.05 1 375 . 39 GLN HG2 H 2.12 0.05 1 376 . 39 GLN HG3 H 2.12 0.05 1 377 . 39 GLN CG C 30.10 0.5 1 378 . 40 GLY H H 8.57 0.05 1 379 . 40 GLY N N 108.1 0.5 1 380 . 40 GLY CA C 44.2 0.5 1 381 . 40 GLY C C 173.83 0.5 1 382 . 40 GLY HA2 H 3.67 0.05 1 383 . 41 THR H H 7.62 0.05 1 384 . 41 THR N N 117.5 0.5 1 385 . 41 THR CA C 62.13 0.5 1 386 . 41 THR C C 175.86 0.5 1 387 . 41 THR HA H 3.83 0.05 1 388 . 41 THR HB H 3.76 0.05 1 389 . 41 THR HG2 H 1.18 0.05 1 390 . 41 THR CG2 C 24.81 0.5 1 391 . 42 LEU H H 7.75 0.05 1 392 . 42 LEU N N 120.7 0.5 1 393 . 42 LEU CA C 55.1 0.5 1 394 . 42 LEU C C 175.93 0.5 1 395 . 42 LEU CB C 39.16 0.5 1 396 . 42 LEU HA H 3.64 0.05 1 397 . 42 LEU HB2 H 1.69 0.05 1 398 . 42 LEU HB3 H 1.69 0.05 1 399 . 42 LEU HG H 1.60 0.05 1 400 . 42 LEU HD1 H 0.74 0.05 1 401 . 42 LEU HD2 H 0.74 0.05 1 402 . 42 LEU CG C 30.80 0.5 1 403 . 42 LEU CD1 C 23.41 0.5 1 404 . 42 LEU CD2 C 23.41 0.5 1 405 . 43 SER H H 8.49 0.05 1 406 . 43 SER N N 112.8 0.5 1 407 . 43 SER CA C 59.08 0.5 1 408 . 43 SER C C 174.12 0.5 1 409 . 43 SER CB C 65.32 0.5 1 410 . 43 SER HA H 4.52 0.05 1 411 . 44 ASP H H 7.61 0.05 1 412 . 44 ASP N N 118.5 0.5 1 413 . 44 ASP CA C 54.56 0.5 1 414 . 44 ASP C C 175.06 0.5 1 415 . 44 ASP CB C 38.53 0.5 1 416 . 44 ASP HA H 3.75 0.05 1 417 . 44 ASP HB2 H 2.53 0.05 1 418 . 44 ASP HB3 H 2.97 0.05 1 419 . 45 LEU H H 7.56 0.05 1 420 . 45 LEU N N 118.7 0.5 1 421 . 45 LEU CA C 54.9 0.5 1 422 . 45 LEU C C 173.48 0.5 1 423 . 45 LEU CB C 39.86 0.5 1 424 . 45 LEU HA H 3.98 0.05 1 425 . 45 LEU HB2 H 1.68 0.05 1 426 . 45 LEU HB3 H 1.86 0.05 1 427 . 45 LEU HG H 1.56 0.05 1 428 . 45 LEU HD1 H 0.99 0.05 1 429 . 45 LEU HD2 H 0.99 0.05 1 430 . 45 LEU CG C 27.34 0.5 1 431 . 45 LEU CD1 C 25.69 0.5 1 432 . 45 LEU CD2 C 24.04 0.5 1 433 . 46 LEU H H 7.6 0.05 1 434 . 46 LEU N N 110.9 0.5 1 435 . 46 LEU CA C 52.91 0.5 1 436 . 46 LEU C C 174.3 0.5 1 437 . 46 LEU CB C 38.68 0.5 1 438 . 46 LEU HA H 4.04 0.05 1 439 . 46 LEU HB2 H 1.70 0.05 1 440 . 46 LEU HB3 H 1.76 0.05 1 441 . 46 LEU HG H 1.70 0.05 1 442 . 46 LEU HD1 H 0.74 0.05 1 443 . 46 LEU HD2 H 0.74 0.05 1 444 . 46 LEU CG C 25.02 0.5 1 445 . 46 LEU CD1 C 20.49 0.5 1 446 . 46 LEU CD2 C 20.49 0.5 1 447 . 47 ARG H H 7.52 0.05 1 448 . 47 ARG N N 117.4 0.5 1 449 . 47 ARG CA C 54.77 0.5 1 450 . 47 ARG C C 173.36 0.5 1 451 . 47 ARG CB C 27.83 0.5 1 452 . 47 ARG HA H 3.92 0.05 1 453 . 47 ARG HB2 H 1.92 0.05 1 454 . 47 ARG HB3 H 1.92 0.05 1 455 . 47 ARG HG2 H 1.47 0.05 1 456 . 47 ARG HG3 H 1.10 0.05 1 457 . 47 ARG HD2 H 2.92 0.05 1 458 . 47 ARG HD3 H 2.92 0.05 1 459 . 47 ARG CG C 22.33 0.5 1 460 . 47 ARG CD C 42.25 0.5 1 461 . 48 ASN H H 8.09 0.05 1 462 . 48 ASN N N 116 0.5 1 463 . 48 ASN CA C 49.41 0.5 1 464 . 48 ASN C C 175.49 0.5 1 465 . 48 ASN HA H 4.43 0.05 1 466 . 49 PRO CA C 60.34 0.5 1 467 . 49 PRO C C 171.1 0.5 1 468 . 49 PRO CB C 29.55 0.5 1 469 . 50 LYS H H 8.34 0.05 1 470 . 50 LYS N N 121.3 0.5 1 471 . 50 LYS CA C 53.8 0.5 1 472 . 51 PRO CA C 60.3 0.5 1 473 . 52 TRP H H 9.13 0.05 1 474 . 52 TRP N N 123.5 0.5 1 475 . 52 TRP CA C 58 0.5 1 476 . 52 TRP C C 175.03 0.5 1 477 . 52 TRP CB C 27.79 0.5 1 478 . 52 TRP HA H 4.89 0.05 1 479 . 52 TRP HB2 H 3.15 0.05 1 480 . 52 TRP HB3 H 3.36 0.05 1 481 . 52 TRP HD1 H 7.05 0.05 1 482 . 52 TRP HE1 H 10.08 0.05 1 483 . 52 TRP HE3 H 7.21 0.05 1 484 . 52 TRP HZ2 H 7.45 0.05 1 485 . 52 TRP HZ3 H 6.98 0.05 1 486 . 52 TRP HH2 H 6.94 0.05 1 487 . 52 TRP CD1 C 121.6 0.5 1 488 . 52 TRP CE3 C 128.3 0.5 1 489 . 52 TRP CZ2 C 114.9 0.5 1 490 . 52 TRP CZ3 C 117.8 0.5 1 491 . 52 TRP CH2 C 116.9 0.5 1 492 . 53 SER H H 8.83 0.05 1 493 . 53 SER N N 109.9 0.5 1 494 . 53 SER CA C 57.94 0.5 1 495 . 53 SER C C 173.42 0.5 1 496 . 53 SER HA H 3.74 0.05 1 497 . 53 SER HB2 H 3.76 0.05 1 498 . 53 SER HB3 H 3.96 0.05 1 499 . 54 LYS H H 7.84 0.05 1 500 . 54 LYS N N 119.1 0.5 1 501 . 54 LYS CA C 52.12 0.5 1 502 . 54 LYS C C 176.3 0.5 1 503 . 54 LYS CB C 30.72 0.5 1 504 . 54 LYS HA H 4.13 0.05 1 505 . 54 LYS HB2 H 1.88 0.05 1 506 . 54 LYS HB3 H 2.09 0.05 1 507 . 54 LYS HG2 H 1.27 0.05 1 508 . 54 LYS HG3 H 1.27 0.05 1 509 . 54 LYS HD2 H 1.87 0.05 1 510 . 54 LYS HD3 H 1.87 0.05 1 511 . 54 LYS HE2 H 3.52 0.05 1 512 . 54 LYS HE3 H 3.53 0.05 1 513 . 54 LYS CG C 22.53 0.5 1 514 . 54 LYS CD C 27.64 0.5 1 515 . 54 LYS CE C 41.03 0.5 1 516 . 55 LEU H H 7.07 0.05 1 517 . 55 LEU N N 121 0.5 1 518 . 55 LEU CA C 52.82 0.5 1 519 . 55 LEU C C 175.47 0.5 1 520 . 55 LEU CB C 39.93 0.5 1 521 . 55 LEU HA H 4.05 0.05 1 522 . 55 LEU HB2 H 1.76 0.05 1 523 . 55 LEU HB3 H 1.85 0.05 1 524 . 55 LEU HG H 1.70 0.05 1 525 . 55 LEU HD1 H 0.65 0.05 1 526 . 55 LEU HD2 H 0.65 0.05 1 527 . 55 LEU CG C 27.27 0.5 1 528 . 55 LEU CD1 C 21.90 0.5 1 529 . 55 LEU CD2 C 21.90 0.5 1 530 . 58 GLY CA C 43.64 0.5 1 531 . 59 ARG H H 8.06 0.05 1 532 . 59 ARG N N 121 0.5 1 533 . 59 ARG CA C 58.21 0.5 1 534 . 59 ARG C C 176.11 0.5 1 535 . 59 ARG HA H 4.37 0.05 1 536 . 59 ARG HB2 H 1.94 0.05 1 537 . 59 ARG HB3 H 1.94 0.05 1 538 . 59 ARG HG2 H 1.86 0.05 1 539 . 59 ARG HG3 H 1.86 0.05 1 540 . 59 ARG HD2 H 3.40 0.05 1 541 . 59 ARG HD3 H 3.40 0.05 1 542 . 59 ARG CG C 26.84 0.5 1 543 . 59 ARG CD C 43.08 0.5 1 544 . 60 GLU H H 8.71 0.05 1 545 . 60 GLU N N 118.1 0.5 1 546 . 60 GLU CA C 56.26 0.5 1 547 . 60 GLU C C 172.92 0.5 1 548 . 60 GLU CB C 25.76 0.5 1 549 . 60 GLU HA H 4.31 0.05 1 550 . 60 GLU HB2 H 2.07 0.05 1 551 . 60 GLU HB3 H 2.07 0.05 1 552 . 60 GLU HG2 H 2.62 0.05 1 553 . 60 GLU HG3 H 2.62 0.05 1 554 . 60 GLU CG C 30.43 0.5 1 555 . 61 THR H H 7.8 0.05 1 556 . 61 THR N N 117.5 0.5 1 557 . 61 THR CA C 64.04 0.5 1 558 . 61 THR C C 172.46 0.5 1 559 . 61 THR HA H 3.88 0.05 1 560 . 61 THR HB H 4.39 0.05 1 561 . 61 THR HG2 H 1.26 0.05 1 562 . 61 THR CG2 C 19.59 0.5 1 563 . 62 PHE H H 8.56 0.05 1 564 . 62 PHE N N 120 0.5 1 565 . 62 PHE CA C 61.23 0.5 1 566 . 62 PHE C C 174.82 0.5 1 567 . 62 PHE CB C 37.43 0.5 1 568 . 62 PHE HA H 3.92 0.05 1 569 . 62 PHE HB2 H 3.22 0.05 1 570 . 62 PHE HB3 H 3.22 0.05 1 571 . 62 PHE HD1 H 7.17 0.05 1 572 . 62 PHE HD2 H 7.17 0.05 1 573 . 62 PHE HE1 H 6.92 0.05 1 574 . 62 PHE HE2 H 6.92 0.05 1 575 . 62 PHE HZ H 7.10 0.05 1 576 . 62 PHE CD1 C 128.2 0.5 1 577 . 62 PHE CE1 C 116.9 0.5 1 578 . 62 PHE CZ C 124.1 0.5 1 579 . 63 ARG H H 8.75 0.05 1 580 . 63 ARG N N 120 0.5 1 581 . 63 ARG CA C 57.94 0.5 1 582 . 63 ARG C C 172.72 0.5 1 583 . 63 ARG CB C 32.63 0.5 1 584 . 63 ARG HA H 4.25 0.05 1 585 . 63 ARG HB2 H 2.10 0.05 1 586 . 63 ARG HB3 H 2.10 0.05 1 587 . 63 ARG HG2 H 1.48 0.05 1 588 . 63 ARG HG3 H 1.20 0.05 1 589 . 63 ARG HD2 H 2.76 0.05 1 590 . 63 ARG HD3 H 2.76 0.05 1 591 . 63 ARG CG C 22.77 0.05 1 592 . 63 ARG CD C 41.91 0.05 1 593 . 64 ARG H H 8.24 0.05 1 594 . 64 ARG N N 118.5 0.5 1 595 . 64 ARG CA C 56.94 0.5 1 596 . 64 ARG C C 172.7 0.5 1 597 . 64 ARG CB C 28.22 0.5 1 598 . 64 ARG HA H 4.5 0.05 1 599 . 64 ARG HB2 H 1.78 0.05 1 600 . 64 ARG HB3 H 1.85 0.05 1 601 . 64 ARG HG2 H 1.72 0.05 1 602 . 64 ARG HG3 H 1.72 0.05 1 603 . 64 ARG HD2 H 3.32 0.05 1 604 . 64 ARG HD3 H 3.32 0.05 1 605 . 64 ARG CG C 22.48 0.5 1 606 . 64 ARG CD C 39.39 0.5 1 607 . 65 MET H H 8.12 0.05 1 608 . 65 MET N N 118.8 0.5 1 609 . 65 MET CA C 58.71 0.5 1 610 . 65 MET C C 171.5 0.5 1 611 . 65 MET CB C 32.38 0.5 1 612 . 65 MET HA H 3.91 0.05 1 613 . 65 MET HB2 H 1.90 0.05 1 614 . 65 MET HB3 H 1.90 0.05 1 615 . 65 MET HG2 H 2.73 0.05 1 616 . 65 MET HG3 H 2.73 0.05 1 617 . 65 MET HE H 2.30 0.05 1 618 . 65 MET CG C 29.24 0.5 1 619 . 65 MET CE C 22.35 0.5 1 620 . 66 TRP H H 8.66 0.05 1 621 . 66 TRP N N 119.4 0.5 1 622 . 66 TRP CA C 58.6 0.5 1 623 . 66 TRP C C 174.09 0.5 1 624 . 66 TRP CB C 27.92 0.5 1 625 . 66 TRP HA H 4.17 0.05 1 626 . 66 TRP HB2 H 3.07 0.05 1 627 . 66 TRP HB3 H 3.52 0.05 1 628 . 66 TRP HD1 H 6.95 0.05 1 629 . 66 TRP HE1 H 10.14 0.05 1 630 . 66 TRP HE3 H 7.05 0.05 1 631 . 66 TRP HZ2 H 7.38 0.05 1 632 . 66 TRP HZ3 H 6.69 0.05 1 633 . 66 TRP HH2 H 6.36 0.05 1 634 . 66 TRP CD1 C 117.7 0.5 1 635 . 66 TRP CE3 C 121.5 0.5 1 636 . 66 TRP CZ2 C 116.7 0.5 1 637 . 66 TRP CZ3 C 114.9 0.5 1 638 . 66 TRP CH2 C 116.6 0.5 1 639 . 67 LYS H H 8.62 0.05 1 640 . 67 LYS N N 117.8 0.5 1 641 . 67 LYS CA C 56.74 0.5 1 642 . 67 LYS C C 173.69 0.5 1 643 . 67 LYS CB C 26.2 0.5 1 644 . 67 LYS HA H 4.30 0.05 1 645 . 67 LYS HB2 H 2.39 0.05 1 646 . 67 LYS HB3 H 2.39 0.05 1 647 . 67 LYS HG2 H 1.44 0.05 1 648 . 67 LYS HG3 H 1.44 0.05 1 649 . 67 LYS HD2 H 1.72 0.05 1 650 . 67 LYS HD3 H 1.72 0.05 1 651 . 67 LYS HE2 H 3.06 0.05 1 652 . 67 LYS HE3 H 3.06 0.05 1 653 . 67 LYS CG C 22.25 0.5 1 654 . 67 LYS CD C 24.26 0.5 1 655 . 67 LYS CE C 37.10 0.5 1 656 . 68 TRP H H 7.87 0.05 1 657 . 68 TRP N N 120 0.5 1 658 . 68 TRP CA C 59.56 0.5 1 659 . 68 TRP C C 175.23 0.5 1 660 . 68 TRP CB C 29.3 0.5 1 661 . 68 TRP HA H 3.92 0.05 1 662 . 68 TRP HB2 H 2.92 0.05 1 663 . 68 TRP HB3 H 3.46 0.05 1 664 . 69 LEU H H 7.77 0.05 1 665 . 69 LEU N N 114 0.5 1 666 . 69 LEU CA C 53.95 0.5 1 667 . 69 LEU C C 174.35 0.5 1 668 . 69 LEU CB C 39.91 0.5 1 669 . 69 LEU HA H 4.47 0.05 1 670 . 69 LEU HB2 H 1.77 0.05 1 671 . 69 LEU HB3 H 1.77 0.05 1 672 . 69 LEU HG H 1.27 0.05 1 673 . 69 LEU HD1 H 1.01 0.05 1 674 . 69 LEU HD2 H 1.01 0.05 1 675 . 69 LEU CG C 25.24 0.5 1 676 . 69 LEU CD1 C 21.38 0.5 1 677 . 69 LEU CD2 C 19.87 0.5 1 678 . 70 GLN H H 7.15 0.05 1 679 . 70 GLN N N 113.8 0.5 1 680 . 70 GLN CA C 52.83 0.5 1 681 . 70 GLN C C 172.56 0.5 1 682 . 70 GLN CB C 30.63 0.5 1 683 . 70 GLN HA H 4.26 0.05 1 684 . 70 GLN HB2 H 1.81 0.05 1 685 . 70 GLN HB3 H 1.94 0.05 1 686 . 70 GLN HG2 H 2.17 0.05 1 687 . 70 GLN HG3 H 2.17 0.05 1 688 . 70 GLN CG C 22.88 0.5 1 689 . 71 GLU H H 7.1 0.05 1 690 . 71 GLU N N 121 0.5 1 691 . 71 GLU CA C 52.02 0.5 1 692 . 71 GLU C C 175.05 0.5 1 693 . 71 GLU CB C 26.1 0.5 1 694 . 71 GLU HA H 4.03 0.05 1 695 . 72 PRO CA C 59.3 0.5 1 696 . 72 PRO CB C 30.93 0.5 1 697 . 72 PRO HA H 4.31 0.05 1 698 . 72 PRO HB2 H 2.80 0.05 1 699 . 72 PRO HB3 H 2.80 0.05 1 700 . 72 PRO HG2 H 2.18 0.05 1 701 . 72 PRO HG3 H 2.18 0.05 1 702 . 72 PRO HD2 H 3.76 0.05 1 703 . 72 PRO HD3 H 3.76 0.05 1 704 . 73 GLU H H 8.6 0.05 1 705 . 73 GLU N N 121.9 0.5 1 706 . 73 GLU CA C 58.02 0.5 1 707 . 73 GLU C C 174.34 0.5 1 708 . 73 GLU HA H 4.52 0.05 1 709 . 73 GLU HB2 H 2.34 0.05 1 710 . 73 GLU HB3 H 2.67 0.05 1 711 . 73 GLU HG2 H 3.21 0.05 1 712 . 73 GLU HG3 H 3.21 0.05 1 713 . 73 GLU CG C 31.42 0.5 1 714 . 74 PHE H H 8.53 0.05 1 715 . 74 PHE N N 115.3 0.5 1 716 . 74 PHE CA C 58.02 0.5 1 717 . 74 PHE C C 174.08 0.5 1 718 . 74 PHE HA H 4.17 0.05 1 719 . 74 PHE HB2 H 2.92 0.05 1 720 . 74 PHE HB3 H 2.70 0.05 1 721 . 75 GLN H H 7 0.05 1 722 . 75 GLN N N 120 0.5 1 723 . 75 GLN CA C 55.18 0.5 1 724 . 75 GLN C C 173.38 0.5 1 725 . 75 GLN CB C 26.01 0.5 1 726 . 75 GLN HA H 3.79 0.05 1 727 . 75 GLN HB2 H 1.65 0.05 1 728 . 75 GLN HB3 H 2.21 0.05 1 729 . 75 GLN HG2 H 2.72 0.05 1 730 . 75 GLN HG3 H 2.72 0.05 1 731 . 75 GLN CG C 33.66 0.5 1 732 . 76 ARG H H 8.12 0.05 1 733 . 76 ARG N N 121 0.5 1 734 . 76 ARG CA C 56.9 0.5 1 735 . 76 ARG C C 172.94 0.5 1 736 . 76 ARG CB C 27.31 0.5 1 737 . 76 ARG HA H 4.38 0.05 1 738 . 76 ARG HB2 H 1.95 0.05 1 739 . 76 ARG HB3 H 2.28 0.05 1 740 . 76 ARG HG2 H 1.61 0.05 1 741 . 76 ARG HG3 H 1.61 0.05 1 742 . 76 ARG HD2 H 3.41 0.05 1 743 . 76 ARG HD3 H 3.41 0.05 1 744 . 76 ARG CG C 29.15 0.5 1 745 . 76 ARG CD C 37.22 0.5 1 746 . 77 MET H H 7.79 0.05 1 747 . 77 MET N N 114.4 0.5 1 748 . 77 MET CA C 53.46 0.5 1 749 . 77 MET C C 171.95 0.5 1 750 . 77 MET CB C 30.91 0.5 1 751 . 77 MET HA H 4.41 0.05 1 752 . 77 MET HB2 H 1.57 0.05 1 753 . 77 MET HB3 H 1.57 0.05 1 754 . 77 MET HG2 H 2.62 0.05 1 755 . 77 MET HG3 H 2.62 0.05 1 756 . 77 MET HE H 1.67 0.05 1 757 . 77 MET CG C 28.75 0.5 1 758 . 77 MET CE C 16.99 0.5 1 759 . 78 SER H H 7.86 0.05 1 760 . 78 SER N N 117.2 0.5 1 761 . 78 SER CA C 58.69 0.5 1 762 . 78 SER C C 171.6 0.5 1 763 . 78 SER HA H 4.15 0.05 1 764 . 78 SER HB2 H 3.83 0.05 1 765 . 78 SER HB3 H 3.83 0.05 1 766 . 79 ALA H H 7.71 0.05 1 767 . 79 ALA N N 121.9 0.5 1 768 . 79 ALA CA C 51.11 0.5 1 769 . 79 ALA C C 175.69 0.5 1 770 . 79 ALA CB C 15.71 0.5 1 771 . 79 ALA HA H 4.01 0.05 1 772 . 79 ALA HB H 1.02 0.05 1 773 . 80 LEU H H 7.11 0.05 1 774 . 80 LEU N N 114.4 0.5 1 775 . 80 LEU CA C 53.63 0.5 1 776 . 80 LEU C C 172.72 0.5 1 777 . 80 LEU CB C 38.71 0.5 1 778 . 80 LEU HA H 4.55 0.05 1 779 . 80 LEU HB2 H 1.76 0.05 1 780 . 80 LEU HB3 H 1.76 0.05 1 781 . 80 LEU HG H 1.67 0.05 1 782 . 80 LEU HD1 H 0.76 0.05 1 783 . 80 LEU HD2 H 0.76 0.05 1 784 . 80 LEU CG C 24.46 0.5 1 785 . 80 LEU CD1 C 20.64 0.5 1 786 . 80 LEU CD2 C 20.64 0.5 1 787 . 81 ARG H H 7.49 0.05 1 788 . 81 ARG N N 116.8 0.5 1 789 . 81 ARG CA C 54.83 0.5 1 790 . 81 ARG C C 174.32 0.5 1 791 . 81 ARG CB C 27.89 0.5 1 792 . 81 ARG HA H 3.92 0.05 1 793 . 81 ARG HB2 H 1.74 0.05 1 794 . 81 ARG HB3 H 1.74 0.05 1 795 . 81 ARG HG2 H 1.32 0.05 1 796 . 81 ARG HG3 H 1.32 0.05 1 797 . 81 ARG HD2 H 3.00 0.05 1 798 . 81 ARG HD3 H 3.00 0.05 1 799 . 81 ARG CG C 25.71 0.5 1 800 . 81 ARG CD C 41.09 0.5 1 801 . 82 LEU H H 7.65 0.05 1 802 . 82 LEU N N 119.1 0.5 1 803 . 82 LEU CA C 52.58 0.5 1 804 . 82 LEU C C 174.61 0.5 1 805 . 82 LEU CB C 39.59 0.5 1 806 . 82 LEU HA H 4.01 0.05 1 807 . 82 LEU HB2 H 1.47 0.05 1 808 . 82 LEU HB3 H 1.76 0.05 1 809 . 82 LEU HG H 1.39 0.05 1 810 . 82 LEU HD1 H 0.65 0.05 1 811 . 82 LEU HD2 H 0.65 0.05 1 812 . 82 LEU CG C 24.65 0.5 1 813 . 82 LEU CD1 C 20.18 0.5 1 814 . 82 LEU CD2 C 20.18 0.5 1 815 . 83 ALA H H 7.88 0.05 1 816 . 83 ALA N N 121.9 0.5 1 817 . 83 ALA CA C 49.59 0.5 1 818 . 83 ALA C C 175.34 0.5 1 819 . 83 ALA HA H 3.95 0.05 1 820 . 83 ALA HB H 1.17 0.05 1 821 . 84 ALA H H 8.33 0.05 1 822 . 84 ALA N N 123.2 0.5 1 823 . 84 ALA CA C 50.17 0.5 1 824 . 84 ALA C C 175.45 0.5 1 825 . 84 ALA CB C 16.53 0.5 1 826 . 84 ALA HA H 4.28 0.05 1 827 . 84 ALA HB H 1.10 0.05 1 828 . 85 CYS H H 8.16 0.05 1 829 . 85 CYS N N 116.2 0.5 1 830 . 85 CYS CA C 52.75 0.5 1 831 . 85 CYS C C 173.62 0.5 1 832 . 85 CYS HA H 4.44 0.05 1 833 . 91 GLU CA C 56.03 0.5 1 834 . 92 HIS H H 7.8 0.05 1 835 . 92 HIS N N 114.4 0.5 1 836 . 92 HIS CA C 53.34 0.5 1 837 . 92 HIS C C 173.73 0.5 1 838 . 92 HIS CB C 27.87 0.5 1 839 . 92 HIS HA H 4.43 0.05 1 840 . 92 HIS HB2 H 2.98 0.05 1 841 . 92 HIS HB3 H 2.98 0.05 1 842 . 92 HIS HD2 H 7.00 0.05 1 843 . 92 HIS HE1 H 8.41 0.05 1 844 . 92 HIS CD2 C 116.84 0.5 1 845 . 92 HIS CE1 C 134.93 0.5 1 846 . 93 GLY H H 8.44 0.05 1 847 . 93 GLY N N 109.8 0.5 1 848 . 93 GLY CA C 42.9 0.5 1 849 . 93 GLY C C 176.01 0.5 1 850 . 93 GLY HA2 H 4.52 0.05 1 851 . 94 LYS H H 8.16 0.05 1 852 . 94 LYS N N 120.4 0.5 1 853 . 94 LYS CA C 53.3 0.5 1 854 . 94 LYS C C 177.49 0.5 1 855 . 94 LYS CB C 26.93 0.5 1 856 . 94 LYS HA H 4.46 0.05 1 857 . 94 LYS HB2 H 2.63 0.05 1 858 . 94 LYS HB3 H 2.63 0.05 1 859 . 94 LYS HG2 H 2.20 0.05 1 860 . 94 LYS HG3 H 2.20 0.05 1 861 . 94 LYS HD2 H 1.76 0.05 1 862 . 94 LYS HD3 H 1.76 0.05 1 863 . 94 LYS HE2 H 3.22 0.05 1 864 . 94 LYS HE3 H 3.22 0.05 1 865 . 94 LYS CG C 20.33 0.5 1 866 . 94 LYS CD C 25.68 0.5 1 867 . 94 LYS CE C 38.38 0.5 1 868 . 95 ASP H H 8.02 0.05 1 869 . 95 ASP N N 120 0.5 1 870 . 95 ASP CA C 51.88 0.5 1 871 . 95 ASP C C 176.3 0.5 1 872 . 95 ASP CB C 38.77 0.5 1 873 . 95 ASP HA H 4.3 0.05 1 874 . 95 ASP HB2 H 2.72 0.05 1 875 . 95 ASP HB3 H 2.80 0.05 1 876 . 96 ARG H H 8.34 0.05 1 877 . 96 ARG N N 120 0.5 1 878 . 96 ARG CA C 53.68 0.5 1 879 . 96 ARG C C 175.05 0.5 1 880 . 96 ARG CB C 28.22 0.5 1 881 . 96 ARG HA H 4.51 0.05 1 882 . 96 ARG HB2 H 1.66 0.05 1 883 . 96 ARG HB3 H 1.66 0.05 1 884 . 96 ARG HG2 H 1.48 0.05 1 885 . 96 ARG HG3 H 1.48 0.05 1 886 . 96 ARG HD2 H 2.96 0.05 1 887 . 96 ARG HD3 H 2.96 0.05 1 888 . 97 GLY H H 8.38 0.05 1 889 . 97 GLY N N 108.7 0.5 1 890 . 97 GLY CA C 43.09 0.5 1 891 . 97 GLY C C 174.61 0.5 1 892 . 97 GLY HA2 H 4.13 0.05 1 893 . 98 ASN H H 8.25 0.05 1 894 . 98 ASN N N 118.2 0.5 1 895 . 98 ASN CA C 50.57 0.5 1 896 . 98 ASN C C 177.78 0.5 1 897 . 98 ASN CB C 36.36 0.5 1 898 . 98 ASN HA H 4.52 0.05 1 899 . 98 ASN HB2 H 2.47 0.05 1 900 . 98 ASN HB3 H 2.56 0.05 1 901 . 99 THR H H 8.08 0.05 1 902 . 99 THR N N 116.9 0.5 1 903 . 99 THR CA C 57.34 0.5 1 904 . 99 THR C C 176.07 0.5 1 905 . 99 THR CB C 66.81 0.5 1 906 . 99 THR HA H 4.38 0.05 1 907 . 100 PRO CA C 60.13 0.5 1 908 . 100 PRO CB C 29.44 0.5 1 909 . 101 LYS H H 8.31 0.05 1 910 . 101 LYS N N 121.3 0.5 1 911 . 101 LYS CA C 53.21 0.5 1 912 . 101 LYS CB C 30.1 0.5 1 913 . 101 LYS HA H 4.1 0.05 1 914 . 102 LYS H H 8.31 0.05 1 915 . 102 LYS N N 121.2 0.5 1 916 . 102 LYS CA C 53.35 0.5 1 917 . 102 LYS HA H 4.1 0.05 1 918 . 103 PRO CA C 60.33 0.5 1 919 . 103 PRO CG C 30.25 0.5 1 920 . 103 PRO CD C 48.68 0.5 1 921 . 104 ARG H H 8.16 0.05 1 922 . 104 ARG N N 124.2 0.5 1 923 . 104 ARG CA C 53.38 0.5 1 924 . 104 ARG C C 175.74 0.5 1 925 . 104 ARG HA H 4.05 0.05 1 926 . 104 ARG HB2 H 2.22 0.05 1 927 . 104 ARG HB3 H 2.22 0.05 1 928 . 104 ARG HG2 H 1.35 0.05 1 929 . 104 ARG HG3 H 1.35 0.05 1 930 . 104 ARG HD2 H 2.82 0.05 1 931 . 104 ARG CG C 23.71 0.5 1 932 . 104 ARG CD C 39.27 0.5 1 933 . 105 LEU H H 7.96 0.05 1 934 . 105 LEU N N 123 0.5 1 935 . 105 LEU CA C 52.02 0.5 1 936 . 105 LEU C C 175.47 0.5 1 937 . 105 LEU CB C 38.83 0.5 1 938 . 105 LEU HA H 3.84 0.05 1 939 . 105 LEU HB2 H 1.47 0.05 1 940 . 105 LEU HB3 H 1.47 0.05 1 941 . 105 LEU HG H 1.17 0.05 1 942 . 105 LEU HD1 H 0.1 0.05 1 943 . 105 LEU HD2 H 0.1 0.05 1 944 . 105 LEU CG C 24.22 0.5 1 945 . 105 LEU CD1 C 20.01 0.5 1 946 . 105 LEU CD2 C 20.01 0.5 1 947 . 106 VAL H H 8.18 0.05 1 948 . 106 VAL N N 122.6 0.5 1 949 . 106 VAL CA C 59.1 0.5 1 950 . 106 VAL C C 177.03 0.5 1 951 . 106 VAL CB C 30.83 0.5 1 952 . 106 VAL HA H 4.07 0.05 1 953 . 106 VAL HB H 1.66 0.05 1 954 . 106 VAL HG1 H 0.58 0.05 1 955 . 106 VAL HG2 H 0.58 0.05 1 956 . 106 VAL CG1 C 17.91 0.5 1 957 . 106 VAL CG2 C 17.91 0.5 1 958 . 107 PHE H H 8.14 0.05 1 959 . 107 PHE N N 122.8 0.5 1 960 . 107 PHE CA C 53.19 0.5 1 961 . 107 PHE C C 176.12 0.5 1 962 . 107 PHE CB C 38.36 0.5 1 963 . 107 PHE HA H 4.1 0.05 1 964 . 107 PHE HB2 H 2.78 0.05 1 965 . 107 PHE HB3 H 3.04 0.05 1 966 . 107 PHE HD1 H 7.03 0.05 1 967 . 107 PHE HD2 H 7.03 0.05 1 968 . 107 PHE HE1 H 6.93 0.05 1 969 . 107 PHE HE2 H 6.93 0.05 1 970 . 107 PHE HZ H 7.45 0.05 1 971 . 107 PHE CD1 C 123.8 0.5 1 972 . 107 PHE CE1 C 116.9 0.5 1 973 . 107 PHE CZ C 117.9 0.5 1 974 . 108 THR H H 8.78 0.05 1 975 . 108 THR N N 113.1 0.5 1 976 . 108 THR CA C 58.17 0.5 1 977 . 108 THR C C 174.15 0.5 1 978 . 108 THR CB C 67.62 0.5 1 979 . 108 THR HA H 4.2 0.05 1 980 . 108 THR HB H 4.53 0.05 1 981 . 108 THR HG2 H 1.24 0.05 1 982 . 108 THR CG2 C 16.38 0.5 1 983 . 109 ASP H H 8.87 0.05 1 984 . 109 ASP N N 121 0.5 1 985 . 109 ASP CA C 55.54 0.5 1 986 . 109 ASP C C 176.44 0.5 1 987 . 109 ASP CB C 37.74 0.5 1 988 . 109 ASP HA H 4.55 0.05 1 989 . 109 ASP HB2 H 2.50 0.05 1 990 . 109 ASP HB3 H 2.58 0.05 1 991 . 110 VAL H H 8.09 0.05 1 992 . 110 VAL N N 117.4 0.5 1 993 . 110 VAL CA C 63.09 0.5 1 994 . 110 VAL C C 173.08 0.5 1 995 . 110 VAL CB C 29.16 0.5 1 996 . 110 VAL HA H 3.47 0.05 1 997 . 110 VAL HB H 2.15 0.05 1 998 . 110 VAL HG1 H 0.50 0.05 1 999 . 110 VAL HG2 H 0.50 0.05 1 1000 . 110 VAL CG1 C 20.19 0.5 1 1001 . 110 VAL CG2 C 20.19 0.5 1 1002 . 111 GLN H H 7.49 0.05 1 1003 . 111 GLN N N 121 0.5 1 1004 . 111 GLN CA C 56.48 0.5 1 1005 . 111 GLN C C 175.62 0.5 1 1006 . 111 GLN CB C 25 0.5 1 1007 . 111 GLN HA H 4.16 0.05 1 1008 . 111 GLN HB2 H 2.00 0.05 1 1009 . 111 GLN HB3 H 2.13 0.05 1 1010 . 111 GLN HG2 H 2.90 0.05 1 1011 . 111 GLN HG3 H 2.90 0.05 1 1012 . 111 GLN CG C 28.49 0.5 1 1013 . 112 ARG H H 8.46 0.05 1 1014 . 112 ARG N N 117.4 0.5 1 1015 . 112 ARG CA C 57.16 0.5 1 1016 . 112 ARG C C 174.66 0.5 1 1017 . 112 ARG CB C 27.52 0.5 1 1018 . 112 ARG HA H 4.10 0.05 1 1019 . 112 ARG HB2 H 2.07 0.05 1 1020 . 112 ARG HB3 H 2.07 0.05 1 1021 . 112 ARG HG2 H 1.56 0.05 1 1022 . 112 ARG HG3 H 1.56 0.05 1 1023 . 112 ARG HD2 H 3.10 0.05 1 1024 . 112 ARG HD3 H 3.10 0.05 1 1025 . 112 ARG CG C 31.00 0.5 1 1026 . 112 ARG CD C 42.25 0.5 1 1027 . 113 ARG H H 8.3 0.05 1 1028 . 113 ARG N N 116.6 0.5 1 1029 . 113 ARG CA C 56.87 0.5 1 1030 . 113 ARG C C 173.51 0.5 1 1031 . 113 ARG CB C 27.4 0.5 1 1032 . 113 ARG HA H 3.81 0.05 1 1033 . 113 ARG HB2 H 2.20 0.05 1 1034 . 113 ARG HB3 H 2.20 0.05 1 1035 . 113 ARG HG2 H 1.72 0.05 1 1036 . 113 ARG HG3 H 1.72 0.05 1 1037 . 113 ARG HD2 H 3.22 0.05 1 1038 . 113 ARG HD3 H 3.22 0.05 1 1039 . 113 ARG CG C 30.90 0.5 1 1040 . 113 ARG CD C 40.58 0.5 1 1041 . 114 THR H H 7.76 0.05 1 1042 . 114 THR N N 116.6 0.5 1 1043 . 114 THR CA C 64.03 0.5 1 1044 . 114 THR C C 171.78 0.5 1 1045 . 114 THR CB C 65.46 0.5 1 1046 . 114 THR HA H 4.37 0.05 1 1047 . 114 THR HB H 4.02 0.05 1 1048 . 114 THR HG2 H 1.54 0.05 1 1049 . 115 LEU H H 7.78 0.05 1 1050 . 115 LEU N N 120.7 0.5 1 1051 . 115 LEU CA C 55.67 0.5 1 1052 . 115 LEU C C 175.64 0.5 1 1053 . 115 LEU CB C 36.16 0.5 1 1054 . 115 LEU HA H 3.97 0.05 1 1055 . 115 LEU HB2 H 1.42 0.05 1 1056 . 115 LEU HB3 H 1.57 0.05 1 1057 . 115 LEU HG H 1.01 0.05 1 1058 . 115 LEU HD1 H 0.46 0.05 1 1059 . 115 LEU HD2 H 0.46 0.05 1 1060 . 115 LEU CG C 26.51 0.5 1 1061 . 115 LEU CD1 C 20.39 0.5 1 1062 . 115 LEU CD2 C 20.39 0.5 1 1063 . 116 HIS H H 8.08 0.05 1 1064 . 116 HIS N N 116 0.5 1 1065 . 116 HIS CA C 57.88 0.5 1 1066 . 116 HIS C C 172.94 0.5 1 1067 . 116 HIS CB C 27.98 0.5 1 1068 . 116 HIS HA H 4.45 0.05 1 1069 . 116 HIS HB2 H 2.68 0.05 1 1070 . 116 HIS HB3 H 2.91 0.05 1 1071 . 116 HIS HD2 H 6.93 0.05 1 1072 . 116 HIS HE1 H 8.63 0.05 1 1073 . 116 HIS CD2 C 119.01 0.5 1 1074 . 116 HIS CE1 C 133.54 0.5 1 1075 . 117 ALA H H 7.85 0.05 1 1076 . 117 ALA N N 121.6 0.5 1 1077 . 117 ALA CA C 52.57 0.5 1 1078 . 117 ALA C C 175.31 0.5 1 1079 . 117 ALA CB C 15.1 0.5 1 1080 . 117 ALA HA H 3.88 0.05 1 1081 . 117 ALA HB H 1.31 0.05 1 1082 . 118 ILE H H 8.02 0.05 1 1083 . 118 ILE N N 118.8 0.5 1 1084 . 118 ILE CA C 61.86 0.5 1 1085 . 118 ILE C C 170.54 0.5 1 1086 . 118 ILE CB C 41.92 0.5 1 1087 . 118 ILE HA H 4.43 0.05 1 1088 . 118 ILE HB H 1.98 0.05 1 1089 . 118 ILE HG12 H 1.52 0.05 1 1090 . 118 ILE HG2 H 1.02 0.05 1 1091 . 118 ILE HD1 H 0.98 0.05 1 1092 . 118 ILE CG1 C 33.61 0.5 1 1093 . 118 ILE CG2 C 22.16 0.5 1 1094 . 118 ILE CD1 C 14.98 0.5 1 1095 . 119 PHE H H 8.25 0.05 1 1096 . 119 PHE N N 119.4 0.5 1 1097 . 119 PHE CA C 57.48 0.5 1 1098 . 119 PHE C C 173.6 0.5 1 1099 . 119 PHE CB C 40.78 0.5 1 1100 . 119 PHE HA H 4.48 0.05 1 1101 . 119 PHE HB2 H 2.88 0.05 1 1102 . 119 PHE HB3 H 3.11 0.05 1 1103 . 119 PHE HD1 H 7.21 0.05 1 1104 . 119 PHE HD2 H 7.21 0.05 1 1105 . 119 PHE HE1 H 6.98 0.05 1 1106 . 119 PHE HE2 H 6.98 0.05 1 1107 . 119 PHE HZ H 7.06 0.05 1 1108 . 119 PHE CD1 C 128.3 0.5 1 1109 . 119 PHE CE1 C 117.1 0.5 1 1110 . 119 PHE CZ C 121.6 0.5 1 1111 . 120 LYS H H 7.66 0.05 1 1112 . 120 LYS N N 115 0.5 1 1113 . 120 LYS CA C 56.25 0.5 1 1114 . 120 LYS C C 175.75 0.5 1 1115 . 120 LYS CB C 27.08 0.5 1 1116 . 120 LYS HA H 4.1 0.05 1 1117 . 120 LYS HB2 H 2.04 0.05 1 1118 . 120 LYS HB3 H 2.04 0.05 1 1119 . 120 LYS HG2 H 1.55 0.05 1 1120 . 120 LYS HG3 H 1.55 0.05 1 1121 . 120 LYS HD2 H 1.83 0.05 1 1122 . 120 LYS HD3 H 1.83 0.05 1 1123 . 120 LYS HE2 H 3.30 0.05 1 1124 . 120 LYS HE3 H 3.30 0.05 1 1125 . 120 LYS CG C 22.77 0.5 1 1126 . 120 LYS CD C 25.51 0.5 1 1127 . 120 LYS CE C 39.54 0.5 1 1128 . 121 GLU H H 7.03 0.05 1 1129 . 121 GLU N N 114.4 0.5 1 1130 . 121 GLU CA C 53.67 0.5 1 1131 . 121 GLU C C 174.02 0.5 1 1132 . 121 GLU CB C 28.57 0.5 1 1133 . 121 GLU HA H 4.02 0.05 1 1134 . 121 GLU HB2 H 1.75 0.05 1 1135 . 121 GLU HB3 H 2.05 0.05 1 1136 . 121 GLU HG2 H 2.35 0.05 1 1137 . 121 GLU HG3 H 2.35 0.05 1 1138 . 121 GLU CG C 35.90 0.5 1 1139 . 122 ASN H H 8.26 0.05 1 1140 . 122 ASN N N 120 0.5 1 1141 . 122 ASN CA C 49.79 0.5 1 1142 . 122 ASN C C 175.37 0.5 1 1143 . 122 ASN CB C 36.01 0.5 1 1144 . 122 ASN HA H 4.46 0.05 1 1145 . 122 ASN HB2 H 2.74 0.05 1 1146 . 122 ASN HB3 H 2.81 0.05 1 1147 . 123 LYS H H 8.11 0.05 1 1148 . 123 LYS N N 122.6 0.5 1 1149 . 123 LYS CA C 53.93 0.5 1 1150 . 123 LYS C C 175.32 0.5 1 1151 . 123 LYS CB C 30.11 0.5 1 1152 . 123 LYS HA H 3.91 0.05 1 1153 . 123 LYS HB2 H 2.62 0.05 1 1154 . 123 LYS HB3 H 2.62 0.05 1 1155 . 123 LYS HG2 H 1.45 0.05 1 1156 . 123 LYS HG3 H 1.45 0.05 1 1157 . 123 LYS HD2 H 1.60 0.05 1 1158 . 123 LYS HD3 H 1.60 0.05 1 1159 . 123 LYS HE2 H 3.08 0.05 1 1160 . 123 LYS HE3 H 3.08 0.05 1 1161 . 123 LYS CG C 19.23 0.5 1 1162 . 123 LYS CD C 24.22 0.5 1 1163 . 123 LYS CE C 40.09 0.5 1 1164 . 124 ARG H H 7.9 0.05 1 1165 . 124 ARG N N 120.4 0.5 1 1166 . 124 ARG CA C 55.12 0.5 1 1167 . 124 ARG C C 174.93 0.5 1 1168 . 124 ARG HA H 4.16 0.05 1 1169 . 125 PRO CA C 59.81 0.5 1 1170 . 125 PRO CB C 29.8 0.5 1 1171 . 125 PRO HA H 4.10 0.05 1 1172 . 125 PRO HB2 H 2.62 0.05 1 1173 . 125 PRO HB3 H 2.62 0.05 1 1174 . 125 PRO HG2 H 2.22 0.05 1 1175 . 125 PRO HG3 H 2.22 0.05 1 1176 . 125 PRO HD2 H 3.54 0.05 1 1177 . 125 PRO HD3 H 3.54 0.05 1 1178 . 125 PRO CG C 27.00 0.5 1 1179 . 125 PRO CD C 47.40 0.5 1 1180 . 126 SER H H 8.65 0.05 1 1181 . 126 SER N N 119.7 0.5 1 1182 . 126 SER CA C 54.83 0.5 1 1183 . 126 SER C C 174.05 0.5 1 1184 . 126 SER CB C 62.2 0.5 1 1185 . 126 SER HA H 4.12 0.05 1 1186 . 126 SER HB2 H 3.78 0.05 1 1187 . 126 SER HB3 H 3.86 0.05 1 1188 . 127 LYS H H 8.92 0.05 1 1189 . 127 LYS N N 122.3 0.5 1 1190 . 127 LYS CA C 57.21 0.5 1 1191 . 127 LYS C C 177.1 0.5 1 1192 . 127 LYS CB C 28.72 0.5 1 1193 . 127 LYS HA H 4.52 0.05 1 1194 . 127 LYS HB2 H 1.68 0.05 1 1195 . 127 LYS HB3 H 1.78 0.05 1 1196 . 127 LYS HG2 H 1.18 0.05 1 1197 . 127 LYS HG3 H 1.18 0.05 1 1198 . 127 LYS HD2 H 1.45 0.05 1 1199 . 127 LYS HD3 H 1.45 0.05 1 1200 . 127 LYS HE2 H 3.02 0.05 1 1201 . 127 LYS HE3 H 3.03 0.05 1 1202 . 127 LYS CG C 27.15 0.05 1 1203 . 127 LYS CD C 24.73 0.05 1 1204 . 127 LYS CE C 39.78 0.05 1 1205 . 128 GLU H H 8.54 0.05 1 1206 . 128 GLU N N 116.3 0.5 1 1207 . 128 GLU CA C 57.66 0.5 1 1208 . 128 GLU C C 173.38 0.5 1 1209 . 128 GLU CB C 26.24 0.5 1 1210 . 128 GLU HA H 3.62 0.05 1 1211 . 128 GLU HB2 H 1.78 0.05 1 1212 . 128 GLU HB3 H 2.00 0.05 1 1213 . 128 GLU HG2 H 2.47 0.05 1 1214 . 128 GLU HG3 H 2.47 0.05 1 1215 . 128 GLU CG C 32.99 0.5 1 1216 . 129 LEU H H 7.78 0.05 1 1217 . 129 LEU N N 121.9 0.5 1 1218 . 129 LEU CA C 54.88 0.5 1 1219 . 129 LEU C C 172.63 0.5 1 1220 . 129 LEU CB C 37.73 0.5 1 1221 . 129 LEU HA H 3.96 0.05 1 1222 . 129 LEU HB2 H 1.59 0.05 1 1223 . 129 LEU HB3 H 1.59 0.05 1 1224 . 129 LEU HG H 1.29 0.05 1 1225 . 129 LEU HD1 H 0.68 0.05 1 1226 . 129 LEU HD2 H 0.68 0.05 1 1227 . 129 LEU CG C 30.85 0.5 1 1228 . 129 LEU CD1 C 21.16 0.5 1 1229 . 129 LEU CD2 C 21.16 0.5 1 1230 . 130 GLN H H 8.34 0.05 1 1231 . 130 GLN N N 117.5 0.5 1 1232 . 130 GLN CA C 57.9 0.5 1 1233 . 130 GLN C C 172.71 0.5 1 1234 . 130 GLN CB C 26.77 0.5 1 1235 . 130 GLN HA H 4.53 0.05 1 1236 . 130 GLN HB2 H 1.78 0.05 1 1237 . 130 GLN HB3 H 1.90 0.05 1 1238 . 130 GLN HG2 H 2.10 0.05 1 1239 . 130 GLN HG3 H 2.10 0.05 1 1240 . 130 GLN CG C 35.55 0.5 1 1241 . 131 ILE H H 8.24 0.05 1 1242 . 131 ILE N N 120.4 0.5 1 1243 . 131 ILE CA C 63.28 0.5 1 1244 . 131 ILE C C 173.01 0.5 1 1245 . 131 ILE CB C 36.13 0.5 1 1246 . 131 ILE HA H 4.29 0.05 1 1247 . 131 ILE HB H 2.01 0.05 1 1248 . 131 ILE HG12 H 1.56 0.05 1 1249 . 131 ILE HG2 H 1.02 0.05 1 1250 . 131 ILE HD1 H 0.50 0.05 1 1251 . 131 ILE CG1 C 29.80 0.5 1 1252 . 131 ILE CG2 C 21.60 0.5 1 1253 . 131 ILE CD1 C 15.20 0.5 1 1254 . 132 THR H H 7.88 0.05 1 1255 . 132 THR N N 118.5 0.5 1 1256 . 132 THR CA C 64.19 0.5 1 1257 . 132 THR C C 172.89 0.5 1 1258 . 132 THR CB C 65.59 0.5 1 1259 . 132 THR HA H 4.52 0.05 1 1260 . 132 THR HB H 4.35 0.05 1 1261 . 132 THR HG2 H 1.05 0.05 1 1262 . 132 THR CG2 C 21.01 0.5 1 1263 . 133 ILE H H 8.77 0.05 1 1264 . 133 ILE N N 121.8 0.5 1 1265 . 133 ILE CA C 61.26 0.5 1 1266 . 133 ILE C C 174.92 0.5 1 1267 . 133 ILE CB C 34.9 0.5 1 1268 . 133 ILE HA H 3.49 0.05 1 1269 . 133 ILE HB H 1.63 0.05 1 1270 . 133 ILE HG12 H 1.57 0.05 1 1271 . 133 ILE HG2 H 1.29 0.05 1 1272 . 133 ILE HD1 H 0.67 0.05 1 1273 . 133 ILE CG1 C 30.59 0.5 1 1274 . 133 ILE CG2 C 20.39 0.5 1 1275 . 133 ILE CD1 C 13.62 0.5 1 1276 . 134 SER H H 8.33 0.05 1 1277 . 134 SER N N 115.9 0.5 1 1278 . 134 SER CA C 59.83 0.5 1 1279 . 134 SER C C 173.74 0.5 1 1280 . 134 SER CB C 60.15 0.5 1 1281 . 134 SER HB2 H 3.89 0.05 1 1282 . 134 SER HB3 H 3.99 0.05 1 1283 . 135 GLN H H 7.85 0.05 1 1284 . 135 GLN N N 120 0.5 1 1285 . 135 GLN CA C 55.84 0.5 1 1286 . 135 GLN C C 175 0.5 1 1287 . 135 GLN CB C 25.44 0.5 1 1288 . 135 GLN HA H 3.97 0.05 1 1289 . 135 GLN HB2 H 1.88 0.05 1 1290 . 135 GLN HB3 H 2.08 0.05 1 1291 . 135 GLN HG2 H 2.42 0.05 1 1292 . 135 GLN HG3 H 2.42 0.05 1 1293 . 135 GLN CG C 30.43 0.5 1 1294 . 136 GLN H H 8.42 0.05 1 1295 . 136 GLN N N 118.8 0.5 1 1296 . 136 GLN CA C 56.04 0.5 1 1297 . 136 GLN C C 172.51 0.5 1 1298 . 136 GLN CB C 26.08 0.5 1 1299 . 136 GLN HA H 3.71 0.05 1 1300 . 136 GLN HB2 H 1.80 0.05 1 1301 . 136 GLN HB3 H 2.16 0.05 1 1302 . 136 GLN HG2 H 2.48 0.05 1 1303 . 136 GLN HG3 H 2.48 0.05 1 1304 . 136 GLN CG C 35.68 0.5 1 1305 . 137 LEU H H 8.17 0.05 1 1306 . 137 LEU N N 113.4 0.5 1 1307 . 137 LEU CA C 51.93 0.5 1 1308 . 137 LEU C C 173.1 0.5 1 1309 . 137 LEU CB C 40.28 0.5 1 1310 . 137 LEU HA H 4.25 0.05 1 1311 . 137 LEU HB2 H 1.69 0.05 1 1312 . 137 LEU HB3 H 1.81 0.05 1 1313 . 137 LEU HG H 1.50 0.05 1 1314 . 137 LEU HD1 H 0.50 0.05 1 1315 . 137 LEU HD2 H 0.50 0.05 1 1316 . 137 LEU CG C 22.72 0.5 1 1317 . 137 LEU CD1 C 20.04 0.5 1 1318 . 137 LEU CD2 C 20.04 0.5 1 1319 . 138 GLY H H 7.67 0.05 1 1320 . 138 GLY N N 109.9 0.5 1 1321 . 138 GLY CA C 44.37 0.5 1 1322 . 138 GLY C C 174.18 0.5 1 1323 . 138 GLY HA2 H 3.71 0.05 1 1324 . 139 LEU H H 7.93 0.05 1 1325 . 139 LEU N N 118.5 0.5 1 1326 . 139 LEU CA C 49.89 0.5 1 1327 . 139 LEU C C 172.91 0.5 1 1328 . 139 LEU CB C 36.14 0.5 1 1329 . 139 LEU HA H 4.48 0.05 1 1330 . 139 LEU HB2 H 1.78 0.05 1 1331 . 139 LEU HB3 H 1.85 0.05 1 1332 . 139 LEU HG H 1.25 0.05 1 1333 . 139 LEU HD1 H 0.74 0.05 1 1334 . 139 LEU HD2 H 0.74 0.05 1 1335 . 139 LEU CG C 27.52 0.5 1 1336 . 139 LEU CD1 C 21.19 0.5 1 1337 . 139 LEU CD2 C 21.81 0.5 1 1338 . 140 GLU H H 8.54 0.05 1 1339 . 140 GLU N N 120 0.5 1 1340 . 140 GLU CA C 53.93 0.5 1 1341 . 140 GLU C C 175.53 0.5 1 1342 . 140 GLU CB C 27.3 0.5 1 1343 . 140 GLU HA H 3.9 0.05 1 1344 . 140 GLU HB2 H 1.76 0.05 1 1345 . 140 GLU HB3 H 2.13 0.05 1 1346 . 140 GLU HG2 H 2.22 0.05 1 1347 . 140 GLU HG3 H 2.22 0.05 1 1348 . 140 GLU CG C 31.21 0.5 1 1349 . 141 LEU H H 8.83 0.05 1 1350 . 141 LEU N N 125.4 0.5 1 1351 . 141 LEU CA C 55.77 0.5 1 1352 . 141 LEU C C 173.5 0.5 1 1353 . 141 LEU CB C 38.72 0.5 1 1354 . 141 LEU HA H 4.03 0.05 1 1355 . 141 LEU HB2 H 1.77 0.05 1 1356 . 141 LEU HB3 H 1.77 0.05 1 1357 . 141 LEU HG H 1.51 0.05 1 1358 . 141 LEU HD1 H 0.83 0.05 1 1359 . 141 LEU HD2 H 0.83 0.05 1 1360 . 141 LEU CG C 26.11 0.5 1 1361 . 141 LEU CD1 C 20.88 0.5 1 1362 . 141 LEU CD2 C 20.88 0.5 1 1363 . 142 SER H H 8.66 0.05 1 1364 . 142 SER N N 111.4 0.5 1 1365 . 142 SER CA C 58.37 0.5 1 1366 . 142 SER C C 172.8 0.5 1 1367 . 142 SER CB C 65.9 0.5 1 1368 . 142 SER HA H 4.54 0.05 1 1369 . 142 SER HB2 H 3.99 0.05 1 1370 . 142 SER HB3 H 4.07 0.05 1 1371 . 143 THR H H 7.17 0.05 1 1372 . 143 THR N N 118.8 0.5 1 1373 . 143 THR CA C 63.17 0.5 1 1374 . 143 THR C C 174.8 0.5 1 1375 . 143 THR CB C 65.23 0.5 1 1376 . 143 THR HA H 3.88 0.05 1 1377 . 143 THR HB H 3.52 0.05 1 1378 . 143 THR HG2 H 1.17 0.05 1 1379 . 143 THR CG2 C 21.12 0.05 1 1380 . 144 VAL H H 7.51 0.05 1 1381 . 144 VAL N N 122.8 0.5 1 1382 . 144 VAL CA C 64.67 0.5 1 1383 . 144 VAL C C 174.89 0.5 1 1384 . 144 VAL CB C 29.52 0.5 1 1385 . 144 VAL HA H 3.28 0.05 1 1386 . 144 VAL HB H 2.16 0.05 1 1387 . 144 VAL HG1 H 0.90 0.05 1 1388 . 144 VAL HG2 H 0.90 0.05 1 1389 . 144 VAL CG1 C 20.58 0.5 1 1390 . 144 VAL CG2 C 21.41 0.5 1 1391 . 145 SER H H 9.07 0.05 1 1392 . 145 SER N N 114.7 0.5 1 1393 . 145 SER CA C 58.92 0.5 1 1394 . 145 SER C C 174.49 0.5 1 1395 . 145 SER CB C 60.15 0.5 1 1396 . 145 SER HA H 4.27 0.05 1 1397 . 145 SER HB2 H 3.80 0.05 1 1398 . 145 SER HB3 H 3.95 0.05 1 1399 . 146 ASN H H 8.36 0.05 1 1400 . 146 ASN N N 118.5 0.5 1 1401 . 146 ASN CA C 53.81 0.5 1 1402 . 146 ASN C C 172.92 0.5 1 1403 . 146 ASN CB C 35.89 0.5 1 1404 . 146 ASN HA H 4.41 0.05 1 1405 . 146 ASN HB2 H 2.82 0.05 1 1406 . 146 ASN HB3 H 2.60 0.05 1 1407 . 147 PHE H H 7.99 0.05 1 1408 . 147 PHE N N 120.8 0.5 1 1409 . 147 PHE CA C 59.2 0.5 1 1410 . 147 PHE C C 175.35 0.5 1 1411 . 147 PHE CB C 35.34 0.5 1 1412 . 147 PHE HA H 4.28 0.05 1 1413 . 147 PHE HB2 H 2.84 0.05 1 1414 . 147 PHE HB3 H 3.30 0.05 1 1415 . 147 PHE HD1 H 7.08 0.05 1 1416 . 147 PHE HD2 H 7.08 0.05 1 1417 . 147 PHE HE1 H 6.77 0.05 1 1418 . 147 PHE HE2 H 6.77 0.05 1 1419 . 147 PHE HZ H 6.98 0.05 1 1420 . 147 PHE CD1 C 121.7 0.5 1 1421 . 147 PHE CE1 C 116.5 0.5 1 1422 . 147 PHE CZ C 118.9 0.5 1 1423 . 148 PHE H H 7.67 0.05 1 1424 . 148 PHE N N 116.6 0.5 1 1425 . 148 PHE CA C 60.2 0.5 1 1426 . 148 PHE C C 174.09 0.5 1 1427 . 148 PHE CB C 35.92 0.5 1 1428 . 148 PHE HA H 3.99 0.05 1 1429 . 148 PHE HB2 H 3.01 0.05 1 1430 . 148 PHE HB3 H 3.38 0.05 1 1431 . 148 PHE HD1 H 7.04 0.05 1 1432 . 148 PHE HD2 H 7.04 0.05 1 1433 . 148 PHE HE1 H 6.84 0.05 1 1434 . 148 PHE HE2 H 6.84 0.05 1 1435 . 148 PHE HZ H 7.43 0.05 1 1436 . 148 PHE CD1 C 121.6 0.5 1 1437 . 148 PHE CE1 C 116.7 0.5 1 1438 . 148 PHE CZ C 117.9 0.5 1 1439 . 149 MET H H 7.98 0.05 1 1440 . 149 MET N N 118.4 0.5 1 1441 . 149 MET CA C 56.48 0.5 1 1442 . 149 MET C C 179.5 0.5 1 1443 . 149 MET CB C 29.82 0.5 1 1444 . 149 MET HA H 3.81 0.05 1 1445 . 149 MET HB2 H 2.11 0.05 1 1446 . 149 MET HB3 H 2.11 0.05 1 1447 . 149 MET HG2 H 2.56 0.05 1 1448 . 149 MET HG3 H 2.56 0.05 1 1449 . 149 MET HE H 2.22 0.05 1 1450 . 149 MET CG C 31.07 0.5 1 1451 . 149 MET CE C 20.08 0.5 1 1452 . 150 ASN H H 8.11 0.05 1 1453 . 150 ASN N N 116.8 0.5 1 1454 . 150 ASN CA C 53.14 0.5 1 1455 . 150 ASN C C 172.98 0.5 1 1456 . 150 ASN CB C 35.84 0.5 1 1457 . 150 ASN HA H 4.25 0.05 1 1458 . 150 ASN HB2 H 2.29 0.05 1 1459 . 150 ASN HB3 H 2.38 0.05 1 1460 . 151 ALA H H 7.98 0.05 1 1461 . 151 ALA N N 123.2 0.5 1 1462 . 151 ALA CA C 51.93 0.5 1 1463 . 151 ALA C C 174.65 0.5 1 1464 . 151 ALA CB C 15.92 0.5 1 1465 . 151 ALA HA H 3.75 0.05 1 1466 . 151 ALA HB H 1.23 0.05 1 1467 . 152 ARG H H 7.67 0.05 1 1468 . 152 ARG N N 116.6 0.5 1 1469 . 152 ARG CA C 56.75 0.5 1 1470 . 152 ARG C C 174.12 0.5 1 1471 . 152 ARG CB C 30.62 0.5 1 1472 . 152 ARG HA H 4.53 0.05 1 1473 . 152 ARG HB2 H 2.49 0.05 1 1474 . 152 ARG HB3 H 2.49 0.05 1 1475 . 152 ARG HG2 H 1.52 0.05 1 1476 . 152 ARG HG3 H 1.52 0.05 1 1477 . 152 ARG HD2 H 3.48 0.05 1 1478 . 152 ARG HD3 H 3.48 0.05 1 1479 . 152 ARG CG C 26.14 0.5 1 1480 . 152 ARG CD C 41.01 0.5 1 1481 . 153 ARG H H 7.54 0.05 1 1482 . 153 ARG N N 118.8 0.5 1 1483 . 153 ARG CA C 55.22 0.5 1 1484 . 153 ARG C C 173.55 0.5 1 1485 . 153 ARG CB C 28.08 0.5 1 1486 . 153 ARG HA H 3.92 0.05 1 1487 . 153 ARG HB2 H 2.04 0.05 1 1488 . 153 ARG HB3 H 2.04 0.05 1 1489 . 153 ARG HG2 H 1.60 0.05 1 1490 . 153 ARG HG3 H 1.60 0.05 1 1491 . 153 ARG HD2 H 3.51 0.05 1 1492 . 153 ARG HD3 H 3.51 0.05 1 1493 . 153 ARG CG C 24.12 0.5 1 1494 . 153 ARG CD C 38.89 0.5 1 1495 . 154 ARG H H 7.84 0.05 1 1496 . 154 ARG N N 117.8 0.5 1 1497 . 154 ARG CA C 54.33 0.5 1 1498 . 154 ARG C C 174.34 0.5 1 1499 . 154 ARG CB C 27.8 0.5 1 1500 . 154 ARG HA H 3.82 0.05 1 1501 . 155 SER H H 7.92 0.05 1 1502 . 155 SER N N 114.4 0.5 1 1503 . 155 SER CA C 56.23 0.5 1 1504 . 155 SER C C 174.72 0.5 1 1505 . 155 SER CB C 60.83 0.5 1 1506 . 155 SER HA H 4.35 0.05 1 1507 . 155 SER HB2 H 3.96 0.05 1 1508 . 155 SER HB3 H 3.96 0.05 1 1509 . 156 LEU H H 7.93 0.05 1 1510 . 156 LEU N N 121.9 0.5 1 1511 . 156 LEU CA C 53.14 0.5 1 1512 . 156 LEU C C 176.76 0.5 1 1513 . 156 LEU CB C 39.62 0.5 1 1514 . 156 LEU HA H 4.02 0.05 1 1515 . 156 LEU HB2 H 1.62 0.05 1 1516 . 156 LEU HB3 H 1.62 0.05 1 1517 . 156 LEU HG H 1.55 0.05 1 1518 . 156 LEU HD1 H 1.13 0.05 1 1519 . 156 LEU HD2 H 1.13 0.05 1 1520 . 156 LEU CG C 29.30 0.5 1 1521 . 156 LEU CD1 C 22.35 0.5 1 1522 . 156 LEU CD2 C 22.35 0.5 1 1523 . 157 ASP H H 7.51 0.05 1 1524 . 157 ASP N N 117.9 0.5 1 1525 . 157 ASP CA C 54.8 0.5 1 1526 . 157 ASP C C 173.39 0.5 1 1527 . 157 ASP CB C 38.62 0.5 1 1528 . 157 ASP HA H 3.9 0.05 1 1529 . 158 LYS CA C 52.14 0.5 1 1530 . 159 TRP H H 7.91 0.05 1 1531 . 159 TRP N N 122.6 0.5 1 1532 . 159 TRP CA C 59.1 0.5 1 1533 . 159 TRP CB C 30.83 0.5 1 1534 . 159 TRP HA H 4.01 0.05 1 1535 . 160 GLN H H 8.13 0.05 1 1536 . 160 GLN N N 122.6 0.5 1 1537 . 160 GLN CA C 53.23 0.5 1 1538 . 160 GLN HA H 4.39 0.05 1 1539 . 161 ASP H H 7.97 0.05 1 1540 . 161 ASP N N 118.5 0.5 1 1541 . 161 ASP CA C 53.97 0.5 1 1542 . 161 ASP HA H 4.45 0.05 1 1543 . 162 LEU H H 7.69 0.05 1 1544 . 162 LEU N N 115.6 0.5 1 1545 . 162 LEU CA C 50.42 0.5 1 1546 . 162 LEU HA H 4.11 0.05 1 stop_ save_