data_6919 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the region 655-775 of the human MAN1 ; _BMRB_accession_number 6919 _BMRB_flat_file_name bmr6919.str _Entry_type original _Submission_date 2005-12-07 _Accession_date 2005-12-07 _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 Caputo Sandrine . . 2 Feng Lin . . 3 Gilquin Bernard . . 4 Worman Howard J. . 5 Zinn-Justin Sophie . . 6 Couprie Joel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 589 "13C chemical shifts" 414 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-05 update BMRB 'complete entry citation' 2005-12-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Assignment of Region 655-775 of Human MAN1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16601860 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Caputo Sandrine . . 2 Lin Feng . . 3 Gilquin Bernard . . 4 Worman Howard J. . 5 Zinn-Justin Sophie . . 6 Couprie Joel . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2 _Page_last 2 _Year 2006 _Details . loop_ _Keyword MAN1 NMR 'nuclear envelope' Smad Structure stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MAN1 655-775 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MAN1 655-775 domain' $MAN1_polypeptide stop_ _System_molecular_weight 15892.19 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MAN1_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'MAN1 655-775' _Molecular_mass 15892.19 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; GSPEFRWTKEEEETRQMYDM VVKIIDVLRSHNEACQENKD LQPYMPIPHVRDSLIQPHDR KKMKKVWDRAVDFLAANESR VRTETRRIGGADFLVWRWIQ PSASCDKILVIPSKVWQGQA FHLDRRLERPHRD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PRO 4 GLU 5 PHE 6 ARG 7 TRP 8 THR 9 LYS 10 GLU 11 GLU 12 GLU 13 GLU 14 THR 15 ARG 16 GLN 17 MET 18 TYR 19 ASP 20 MET 21 VAL 22 VAL 23 LYS 24 ILE 25 ILE 26 ASP 27 VAL 28 LEU 29 ARG 30 SER 31 HIS 32 ASN 33 GLU 34 ALA 35 CYS 36 GLN 37 GLU 38 ASN 39 LYS 40 ASP 41 LEU 42 GLN 43 PRO 44 TYR 45 MET 46 PRO 47 ILE 48 PRO 49 HIS 50 VAL 51 ARG 52 ASP 53 SER 54 LEU 55 ILE 56 GLN 57 PRO 58 HIS 59 ASP 60 ARG 61 LYS 62 LYS 63 MET 64 LYS 65 LYS 66 VAL 67 TRP 68 ASP 69 ARG 70 ALA 71 VAL 72 ASP 73 PHE 74 LEU 75 ALA 76 ALA 77 ASN 78 GLU 79 SER 80 ARG 81 VAL 82 ARG 83 THR 84 GLU 85 THR 86 ARG 87 ARG 88 ILE 89 GLY 90 GLY 91 ALA 92 ASP 93 PHE 94 LEU 95 VAL 96 TRP 97 ARG 98 TRP 99 ILE 100 GLN 101 PRO 102 SER 103 ALA 104 SER 105 CYS 106 ASP 107 LYS 108 ILE 109 LEU 110 VAL 111 ILE 112 PRO 113 SER 114 LYS 115 VAL 116 TRP 117 GLN 118 GLY 119 GLN 120 ALA 121 PHE 122 HIS 123 LEU 124 ASP 125 ARG 126 ARG 127 LEU 128 GLU 129 ARG 130 PRO 131 HIS 132 ARG 133 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2CH0 "Solution Structure Of The Human Man1 C-Terminal Domain (Residues 655-775)" 99.25 133 100.00 100.00 1.18e-91 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Plasmid $MAN1_polypeptide Human 9606 Eukaryota Metazoa Homo sapiens pGEX4-T1 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 $MAN1_polypeptide 'recombinant technology' 'E. coli' Escherichia coli 'BL21 DE3 Rosetta pLys S' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_MAN1_N15 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MAN1_polypeptide 0.8 mM '[U-99% 15N; U-10% 2H]' Phosphate 50 mM . NaCl 150 mM . EDTA 1 mM . TCEP 2 mM . TSP 2 mM . NaN3 0.01 % . D2O 10 % . stop_ save_ save_MAN1_N15_C13 _Saveframe_category sample _Sample_type emulsion _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MAN1_polypeptide 0.8 mM '[U-99% 15N; U-99% 13C; U10% 2H]' Phosphate 50 mM . NaCl 150 mM . EDTA 1 mM . TCEP 2 mM . TSP 2 mM . NaN3 0.01 % . D2O 10 % . stop_ save_ save_MAN1_N15_C13_D20 _Saveframe_category sample _Sample_type emulsion _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MAN1_polypeptide 0.8 mM '[U-99% 15N; U-99% 13C; U-100% 2H]' Phosphate 50 mM . NaCl 150 mM . EDTA 1 mM . TCEP 2 mM . TSP 2 mM . NaN3 0.01 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_(HCA)CO(CA)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label . save_ save_CBCACOHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOHA _Sample_label . save_ save_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_13C_HSQC_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_HSQC_NOESY _Sample_label . save_ save_15N_HSQC-NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_HSQC-NOESY _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 0.2 pH temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_TSP _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 _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Felix stop_ loop_ _Experiment_label 1H15N_HSQC HNCO HNCA HNCACB CBCA(CO)NH (HCA)CO(CA)NH CBCACOHA HNHA HBHA(CO)NH HCCH-TOCSY HCCH-COSY 13C_HSQC_NOESY 15N_HSQC-NOESY stop_ loop_ _Sample_label $MAN1_N15 $MAN1_N15_C13 $MAN1_N15_C13_D20 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $TSP _Mol_system_component_name 'MAN1 655-775 domain' _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 2 2 SER H H 7.978 0.03 1 2 2 2 SER HA H 4.798 0.03 1 3 2 2 SER HB2 H 3.859 0.03 1 4 2 2 SER HB3 H 3.859 0.03 1 5 2 2 SER CA C 56.721 0.3 1 6 2 2 SER CB C 62.962 0.3 1 7 2 2 SER N N 121.560 0.3 1 8 3 3 PRO HA H 4.374 0.03 1 9 3 3 PRO HB2 H 1.787 0.03 2 10 3 3 PRO HB3 H 2.226 0.03 2 11 3 3 PRO HG2 H 1.980 0.03 1 12 3 3 PRO HG3 H 1.980 0.03 1 13 3 3 PRO HD2 H 3.699 0.03 1 14 3 3 PRO HD3 H 3.817 0.03 1 15 3 3 PRO C C 176.515 0.3 1 16 3 3 PRO CA C 63.294 0.3 1 17 3 3 PRO CB C 32.137 0.3 1 18 3 3 PRO CG C 27.379 0.3 1 19 3 3 PRO CD C 50.841 0.3 1 20 4 4 GLU H H 8.380 0.03 1 21 4 4 GLU HA H 4.112 0.03 1 22 4 4 GLU HB2 H 1.809 0.03 2 23 4 4 GLU HB3 H 1.858 0.03 2 24 4 4 GLU HG2 H 2.066 0.03 2 25 4 4 GLU HG3 H 2.146 0.03 2 26 4 4 GLU C C 176.490 0.3 1 27 4 4 GLU CA C 56.544 0.3 1 28 4 4 GLU CB C 30.251 0.3 1 29 4 4 GLU CG C 36.198 0.3 1 30 4 4 GLU N N 120.326 0.3 1 31 5 5 PHE H H 8.060 0.03 1 32 5 5 PHE HA H 4.490 0.03 1 33 5 5 PHE HB2 H 2.838 0.03 1 34 5 5 PHE HB3 H 2.838 0.03 1 35 5 5 PHE HD1 H 7.118 0.03 1 36 5 5 PHE HE1 H 7.216 0.03 1 37 5 5 PHE HZ H 7.209 0.03 1 38 5 5 PHE C C 175.178 0.3 1 39 5 5 PHE CA C 57.409 0.3 1 40 5 5 PHE CB C 39.562 0.3 1 41 5 5 PHE CD1 C 131.374 0.3 1 42 5 5 PHE CE1 C 131.364 0.3 1 43 5 5 PHE CZ C 129.461 0.3 1 44 5 5 PHE N N 120.794 0.3 1 45 6 6 ARG H H 8.016 0.03 1 46 6 6 ARG HA H 4.197 0.03 1 47 6 6 ARG HB2 H 1.551 0.03 2 48 6 6 ARG HB3 H 1.617 0.03 2 49 6 6 ARG HG2 H 1.370 0.03 1 50 6 6 ARG HG3 H 1.370 0.03 1 51 6 6 ARG HD2 H 3.043 0.03 1 52 6 6 ARG HD3 H 3.043 0.03 1 53 6 6 ARG C C 175.904 0.3 1 54 6 6 ARG CA C 55.963 0.3 1 55 6 6 ARG CB C 30.869 0.3 1 56 6 6 ARG CG C 26.825 0.3 1 57 6 6 ARG CD C 43.284 0.3 1 58 6 6 ARG N N 122.629 0.3 1 59 7 7 TRP H H 7.978 0.03 1 60 7 7 TRP HA H 4.823 0.03 1 61 7 7 TRP HB2 H 3.187 0.03 2 62 7 7 TRP HB3 H 3.363 0.03 2 63 7 7 TRP HD1 H 7.278 0.03 1 64 7 7 TRP HE1 H 10.268 0.03 1 65 7 7 TRP HE3 H 7.650 0.03 1 66 7 7 TRP HZ2 H 7.340 0.03 1 67 7 7 TRP C C 176.704 0.3 1 68 7 7 TRP CA C 56.936 0.3 1 69 7 7 TRP CB C 30.008 0.3 1 70 7 7 TRP CD1 C 126.860 0.3 1 71 7 7 TRP CE3 C 120.650 0.3 1 72 7 7 TRP N N 121.566 0.3 1 73 7 7 TRP NE1 N 129.255 0.3 1 74 8 8 THR H H 8.344 0.03 1 75 8 8 THR HA H 4.385 0.03 1 76 8 8 THR HB H 4.504 0.03 1 77 8 8 THR HG2 H 1.266 0.03 1 78 8 8 THR C C 174.949 0.3 1 79 8 8 THR CA C 61.659 0.3 1 80 8 8 THR CB C 70.570 0.3 1 81 8 8 THR CG2 C 21.878 0.3 1 82 8 8 THR N N 114.306 0.3 1 83 9 9 LYS H H 8.565 0.03 1 84 9 9 LYS HA H 4.117 0.03 1 85 9 9 LYS HB2 H 1.720 0.03 2 86 9 9 LYS HB3 H 1.860 0.03 2 87 9 9 LYS HG2 H 1.460 0.03 1 88 9 9 LYS HG3 H 1.460 0.03 1 89 9 9 LYS HE2 H 3.000 0.03 1 90 9 9 LYS HE3 H 3.000 0.03 1 91 9 9 LYS C C 178.195 0.3 1 92 9 9 LYS CA C 58.526 0.3 1 93 9 9 LYS N N 121.730 0.3 1 94 10 10 GLU H H 8.531 0.03 1 95 10 10 GLU HA H 4.093 0.03 1 96 10 10 GLU HB2 H 1.967 0.03 2 97 10 10 GLU HB3 H 2.037 0.03 2 98 10 10 GLU HG2 H 2.258 0.03 2 99 10 10 GLU HG3 H 2.351 0.03 2 100 10 10 GLU C C 179.137 0.3 1 101 10 10 GLU CA C 59.339 0.3 1 102 10 10 GLU CB C 29.219 0.3 1 103 10 10 GLU CG C 36.724 0.3 1 104 10 10 GLU N N 119.384 0.3 1 105 11 11 GLU H H 8.286 0.03 1 106 11 11 GLU HA H 4.064 0.03 1 107 11 11 GLU HB2 H 2.109 0.03 2 108 11 11 GLU HB3 H 2.290 0.03 2 109 11 11 GLU HG2 H 2.410 0.03 2 110 11 11 GLU HG3 H 2.657 0.03 2 111 11 11 GLU CA C 59.154 0.3 1 112 11 11 GLU CB C 29.514 0.3 1 113 11 11 GLU CG C 34.386 0.3 1 114 11 11 GLU N N 117.546 0.3 1 115 13 13 GLU H H 8.307 0.03 1 116 13 13 GLU HA H 4.002 0.03 1 117 13 13 GLU HB2 H 1.966 0.03 2 118 13 13 GLU HB3 H 2.149 0.03 2 119 13 13 GLU HG2 H 2.099 0.03 2 120 13 13 GLU HG3 H 2.351 0.03 2 121 13 13 GLU C C 178.883 0.3 1 122 13 13 GLU CA C 59.786 0.3 1 123 13 13 GLU CB C 30.189 0.3 1 124 13 13 GLU CG C 37.580 0.3 1 125 13 13 GLU N N 119.391 0.3 1 126 14 14 THR H H 8.034 0.03 1 127 14 14 THR HA H 3.756 0.03 1 128 14 14 THR HB H 4.254 0.03 1 129 14 14 THR HG2 H 1.157 0.03 1 130 14 14 THR CA C 66.260 0.3 1 131 14 14 THR CB C 67.924 0.3 1 132 14 14 THR N N 117.020 0.3 1 133 17 17 MET HA H 3.763 0.03 1 134 17 17 MET HB2 H 2.250 0.03 1 135 17 17 MET HB3 H 2.250 0.03 1 136 17 17 MET HG2 H 1.880 0.03 1 137 17 17 MET HG3 H 1.880 0.03 1 138 17 17 MET HE H 1.235 0.03 1 139 17 17 MET CA C 59.976 0.3 1 140 17 17 MET CE C 18.320 0.3 1 141 18 18 TYR HA H 3.870 0.03 1 142 18 18 TYR HB2 H 2.810 0.03 2 143 18 18 TYR HB3 H 3.000 0.03 2 144 18 18 TYR HD1 H 6.870 0.03 1 145 18 18 TYR HE1 H 6.580 0.03 1 146 18 18 TYR CD1 C 131.980 0.3 1 147 18 18 TYR CE1 C 117.680 0.3 1 148 20 20 MET HA H 4.447 0.03 1 149 20 20 MET HB2 H 2.228 0.03 1 150 20 20 MET HB3 H 2.228 0.03 1 151 20 20 MET HG2 H 2.565 0.03 1 152 20 20 MET HG3 H 2.565 0.03 1 153 20 20 MET HE H 2.197 0.03 1 154 20 20 MET C C 177.422 0.3 1 155 20 20 MET CA C 57.126 0.3 1 156 20 20 MET CB C 31.151 0.3 1 157 20 20 MET CG C 32.879 0.3 1 158 20 20 MET CE C 17.698 0.3 1 159 21 21 VAL H H 8.426 0.03 1 160 21 21 VAL HA H 3.314 0.03 1 161 21 21 VAL HB H 2.238 0.03 1 162 21 21 VAL HG1 H 0.919 0.03 1 163 21 21 VAL HG2 H 0.929 0.03 1 164 21 21 VAL C C 179.234 0.3 1 165 21 21 VAL CA C 67.649 0.3 1 166 21 21 VAL CB C 31.768 0.3 1 167 21 21 VAL CG1 C 24.566 0.3 1 168 21 21 VAL CG2 C 21.387 0.3 1 169 21 21 VAL N N 119.856 0.3 1 170 22 22 VAL HA H 3.418 0.03 1 171 22 22 VAL HB H 2.200 0.03 1 172 22 22 VAL HG1 H 0.900 0.03 1 173 22 22 VAL HG2 H 1.050 0.03 1 174 22 22 VAL C C 174.143 0.3 1 175 22 22 VAL CA C 66.590 0.3 1 176 23 23 LYS H H 7.614 0.03 1 177 23 23 LYS HA H 4.105 0.03 1 178 23 23 LYS HB2 H 1.846 0.03 1 179 23 23 LYS HB3 H 1.846 0.03 1 180 23 23 LYS HG2 H 1.385 0.03 1 181 23 23 LYS HG3 H 1.506 0.03 1 182 23 23 LYS HD2 H 1.709 0.03 1 183 23 23 LYS HD3 H 1.709 0.03 1 184 23 23 LYS HE2 H 3.002 0.03 1 185 23 23 LYS HE3 H 3.002 0.03 1 186 23 23 LYS C C 179.503 0.3 1 187 23 23 LYS CA C 59.663 0.3 1 188 23 23 LYS CB C 31.971 0.3 1 189 23 23 LYS CG C 25.298 0.3 1 190 23 23 LYS CD C 29.153 0.3 1 191 23 23 LYS CE C 41.957 0.3 1 192 23 23 LYS N N 118.864 0.3 1 193 24 24 ILE H H 8.607 0.03 1 194 24 24 ILE HA H 3.345 0.03 1 195 24 24 ILE HB H 1.717 0.03 1 196 24 24 ILE HG12 H 0.906 0.03 2 197 24 24 ILE HG13 H 1.864 0.03 2 198 24 24 ILE HG2 H 0.213 0.03 1 199 24 24 ILE HD1 H 0.401 0.03 1 200 24 24 ILE C C 177.425 0.3 1 201 24 24 ILE CA C 66.112 0.3 1 202 24 24 ILE CB C 38.698 0.3 1 203 24 24 ILE CG1 C 29.813 0.3 1 204 24 24 ILE CG2 C 19.011 0.3 1 205 24 24 ILE CD1 C 15.393 0.3 1 206 24 24 ILE N N 120.698 0.3 1 207 25 25 ILE H H 8.232 0.03 1 208 25 25 ILE HA H 3.304 0.03 1 209 25 25 ILE HB H 1.938 0.03 1 210 25 25 ILE HG12 H 1.051 0.03 2 211 25 25 ILE HG13 H 1.756 0.03 2 212 25 25 ILE HG2 H 0.831 0.03 1 213 25 25 ILE HD1 H 0.861 0.03 1 214 25 25 ILE C C 177.177 0.3 1 215 25 25 ILE CA C 65.611 0.3 1 216 25 25 ILE CB C 37.352 0.3 1 217 25 25 ILE CG1 C 29.838 0.3 1 218 25 25 ILE CG2 C 17.428 0.3 1 219 25 25 ILE CD1 C 14.068 0.3 1 220 25 25 ILE N N 118.559 0.3 1 221 26 26 ASP H H 8.099 0.03 1 222 26 26 ASP HA H 4.288 0.03 1 223 26 26 ASP HB2 H 2.656 0.03 2 224 26 26 ASP HB3 H 2.769 0.03 2 225 26 26 ASP C C 179.645 0.3 1 226 26 26 ASP CA C 57.807 0.3 1 227 26 26 ASP CB C 40.720 0.3 1 228 26 26 ASP N N 118.264 0.3 1 229 27 27 VAL H H 8.009 0.03 1 230 27 27 VAL HA H 3.683 0.03 1 231 27 27 VAL HB H 2.387 0.03 1 232 27 27 VAL HG1 H 1.051 0.03 1 233 27 27 VAL HG2 H 1.176 0.03 1 234 27 27 VAL C C 179.003 0.3 1 235 27 27 VAL CA C 66.530 0.3 1 236 27 27 VAL CB C 31.671 0.3 1 237 27 27 VAL CG1 C 22.012 0.3 1 238 27 27 VAL CG2 C 23.560 0.3 1 239 27 27 VAL N N 121.076 0.3 1 240 28 28 LEU H H 8.452 0.03 1 241 28 28 LEU HA H 4.123 0.03 1 242 28 28 LEU HB2 H 1.923 0.03 1 243 28 28 LEU HB3 H 1.923 0.03 1 244 28 28 LEU HG H 2.002 0.03 1 245 28 28 LEU HD1 H 0.641 0.03 1 246 28 28 LEU HD2 H 1.080 0.03 1 247 28 28 LEU C C 179.742 0.3 1 248 28 28 LEU CA C 57.954 0.3 1 249 28 28 LEU CB C 42.672 0.3 1 250 28 28 LEU CG C 26.880 0.3 1 251 28 28 LEU CD1 C 27.539 0.3 1 252 28 28 LEU CD2 C 23.258 0.3 1 253 28 28 LEU N N 120.574 0.3 1 254 29 29 ARG H H 8.980 0.03 1 255 29 29 ARG HA H 4.170 0.03 1 256 29 29 ARG HB2 H 1.990 0.03 1 257 29 29 ARG HB3 H 1.990 0.03 1 258 29 29 ARG HG2 H 0.940 0.03 1 259 29 29 ARG HG3 H 0.940 0.03 1 260 29 29 ARG C C 179.271 0.3 1 261 29 29 ARG N N 121.990 0.3 1 262 30 30 SER H H 8.066 0.03 1 263 30 30 SER HA H 4.167 0.03 1 264 30 30 SER HB2 H 3.918 0.03 2 265 30 30 SER HB3 H 4.006 0.03 2 266 30 30 SER C C 177.349 0.3 1 267 30 30 SER CA C 61.966 0.3 1 268 30 30 SER CB C 62.025 0.3 1 269 30 30 SER N N 115.103 0.3 1 270 31 31 HIS H H 8.364 0.03 1 271 31 31 HIS HA H 4.386 0.03 1 272 31 31 HIS HB2 H 3.361 0.03 1 273 31 31 HIS HB3 H 3.361 0.03 1 274 31 31 HIS HD2 H 7.081 0.03 1 275 31 31 HIS HE1 H 8.125 0.03 1 276 31 31 HIS C C 176.649 0.3 1 277 31 31 HIS CA C 59.736 0.3 1 278 31 31 HIS CB C 29.904 0.3 1 279 31 31 HIS CD2 C 117.766 0.3 1 280 31 31 HIS CE1 C 137.055 0.3 1 281 31 31 HIS N N 122.826 0.3 1 282 32 32 ASN H H 8.159 0.03 1 283 32 32 ASN HA H 4.293 0.03 1 284 32 32 ASN HB2 H 2.850 0.03 2 285 32 32 ASN HB3 H 2.790 0.03 2 286 32 32 ASN HD21 H 7.211 0.03 2 287 32 32 ASN HD22 H 8.150 0.03 2 288 32 32 ASN C C 177.673 0.3 1 289 32 32 ASN CA C 57.854 0.3 1 290 32 32 ASN CB C 40.776 0.3 1 291 32 32 ASN N N 115.287 0.3 1 292 32 32 ASN ND2 N 118.165 0.3 1 293 33 33 GLU H H 7.885 0.03 1 294 33 33 GLU HA H 3.946 0.03 1 295 33 33 GLU HB2 H 2.136 0.03 2 296 33 33 GLU HB3 H 2.043 0.03 2 297 33 33 GLU HG2 H 2.237 0.03 2 298 33 33 GLU HG3 H 2.388 0.03 2 299 33 33 GLU C C 179.364 0.3 1 300 33 33 GLU CA C 59.400 0.3 1 301 33 33 GLU CB C 29.163 0.3 1 302 33 33 GLU CG C 36.278 0.3 1 303 33 33 GLU N N 118.481 0.3 1 304 34 34 ALA H H 7.880 0.03 1 305 34 34 ALA HA H 4.129 0.03 1 306 34 34 ALA HB H 1.435 0.03 1 307 34 34 ALA C C 180.738 0.3 1 308 34 34 ALA CA C 55.060 0.3 1 309 34 34 ALA CB C 18.032 0.3 1 310 34 34 ALA N N 123.067 0.3 1 311 35 35 CYS H H 7.926 0.03 1 312 35 35 CYS HA H 4.198 0.03 1 313 35 35 CYS HB2 H 2.803 0.03 2 314 35 35 CYS HB3 H 2.956 0.03 2 315 35 35 CYS C C 175.597 0.3 1 316 35 35 CYS CA C 61.966 0.3 1 317 35 35 CYS CB C 26.893 0.3 1 318 35 35 CYS N N 116.159 0.3 1 319 36 36 GLN H H 7.531 0.03 1 320 36 36 GLN HA H 3.999 0.03 1 321 36 36 GLN HB2 H 2.169 0.03 1 322 36 36 GLN HB3 H 2.169 0.03 1 323 36 36 GLN HG2 H 2.518 0.03 1 324 36 36 GLN HG3 H 2.518 0.03 1 325 36 36 GLN HE21 H 6.891 0.03 2 326 36 36 GLN HE22 H 7.298 0.03 2 327 36 36 GLN C C 177.038 0.3 1 328 36 36 GLN CA C 57.569 0.3 1 329 36 36 GLN CB C 28.186 0.3 1 330 36 36 GLN CG C 33.795 0.3 1 331 36 36 GLN N N 116.694 0.3 1 332 36 36 GLN NE2 N 112.286 0.3 1 333 37 37 GLU H H 7.155 0.03 1 334 37 37 GLU HA H 4.367 0.03 1 335 37 37 GLU HB2 H 1.904 0.03 2 336 37 37 GLU HB3 H 2.132 0.03 2 337 37 37 GLU HG2 H 2.208 0.03 2 338 37 37 GLU HG3 H 2.297 0.03 2 339 37 37 GLU C C 175.652 0.3 1 340 37 37 GLU CA C 56.339 0.3 1 341 37 37 GLU CB C 31.012 0.3 1 342 37 37 GLU CG C 36.062 0.3 1 343 37 37 GLU N N 114.706 0.3 1 344 38 38 ASN H H 7.605 0.03 1 345 38 38 ASN HA H 4.845 0.03 1 346 38 38 ASN HB2 H 2.661 0.03 2 347 38 38 ASN HB3 H 2.909 0.03 2 348 38 38 ASN HD21 H 7.091 0.03 2 349 38 38 ASN HD22 H 7.617 0.03 2 350 38 38 ASN C C 174.802 0.3 1 351 38 38 ASN CA C 52.026 0.3 1 352 38 38 ASN CB C 38.521 0.3 1 353 38 38 ASN N N 110.613 0.3 1 354 38 38 ASN ND2 N 117.086 0.3 1 355 39 39 LYS H H 8.531 0.03 1 356 39 39 LYS HA H 4.312 0.03 1 357 39 39 LYS HB2 H 1.832 0.03 2 358 39 39 LYS HB3 H 1.953 0.03 2 359 39 39 LYS HG2 H 1.477 0.03 1 360 39 39 LYS HG3 H 1.477 0.03 1 361 39 39 LYS HD2 H 1.703 0.03 1 362 39 39 LYS HD3 H 1.704 0.03 1 363 39 39 LYS HE2 H 3.025 0.03 2 364 39 39 LYS HE3 H 3.102 0.03 2 365 39 39 LYS C C 176.489 0.3 1 366 39 39 LYS CA C 57.153 0.3 1 367 39 39 LYS CB C 31.595 0.3 1 368 39 39 LYS CG C 24.605 0.3 1 369 39 39 LYS CD C 28.885 0.3 1 370 39 39 LYS CE C 42.328 0.3 1 371 39 39 LYS N N 121.900 0.3 1 372 40 40 ASP H H 8.200 0.03 1 373 40 40 ASP HA H 4.627 0.03 1 374 40 40 ASP HB2 H 2.645 0.03 2 375 40 40 ASP HB3 H 2.732 0.03 2 376 40 40 ASP C C 176.644 0.3 1 377 40 40 ASP CA C 54.932 0.3 1 378 40 40 ASP CB C 41.034 0.3 1 379 40 40 ASP N N 117.308 0.3 1 380 41 41 LEU H H 7.202 0.03 1 381 41 41 LEU HA H 4.296 0.03 1 382 41 41 LEU HB2 H 1.463 0.03 2 383 41 41 LEU HB3 H 1.739 0.03 2 384 41 41 LEU HG H 1.546 0.03 1 385 41 41 LEU HD1 H 0.844 0.03 1 386 41 41 LEU HD2 H 0.793 0.03 1 387 41 41 LEU C C 176.871 0.3 1 388 41 41 LEU CA C 54.399 0.3 1 389 41 41 LEU CB C 43.542 0.3 1 390 41 41 LEU CG C 26.941 0.3 1 391 41 41 LEU CD1 C 25.293 0.3 1 392 41 41 LEU CD2 C 22.954 0.3 1 393 41 41 LEU N N 120.075 0.3 1 394 42 42 GLN H H 8.635 0.03 1 395 42 42 GLN HA H 4.562 0.03 1 396 42 42 GLN HB2 H 1.587 0.03 2 397 42 42 GLN HB3 H 1.702 0.03 2 398 42 42 GLN HG2 H 2.363 0.03 1 399 42 42 GLN HG3 H 2.363 0.03 1 400 42 42 GLN HE21 H 6.845 0.03 2 401 42 42 GLN HE22 H 7.468 0.03 2 402 42 42 GLN CA C 53.114 0.3 1 403 42 42 GLN CB C 28.430 0.3 1 404 42 42 GLN CG C 33.377 0.3 1 405 42 42 GLN N N 121.961 0.3 1 406 42 42 GLN NE2 N 111.821 0.3 1 407 43 43 PRO HA H 4.961 0.03 1 408 43 43 PRO HB2 H 2.154 0.03 2 409 43 43 PRO HB3 H 2.266 0.03 2 410 43 43 PRO HG2 H 2.192 0.03 1 411 43 43 PRO HG3 H 2.192 0.03 1 412 43 43 PRO HD2 H 3.653 0.03 1 413 43 43 PRO HD3 H 3.817 0.03 1 414 43 43 PRO C C 175.315 0.3 1 415 43 43 PRO CA C 64.046 0.3 1 416 43 43 PRO CB C 30.831 0.3 1 417 43 43 PRO CG C 27.565 0.3 1 418 43 43 PRO CD C 50.802 0.3 1 419 44 44 TYR H H 7.090 0.03 1 420 44 44 TYR HA H 5.278 0.03 1 421 44 44 TYR HB2 H 2.774 0.03 1 422 44 44 TYR HB3 H 2.774 0.03 1 423 44 44 TYR HD1 H 6.740 0.03 1 424 44 44 TYR HE1 H 6.789 0.03 1 425 44 44 TYR C C 174.248 0.3 1 426 44 44 TYR CA C 55.159 0.3 1 427 44 44 TYR CB C 40.391 0.3 1 428 44 44 TYR CD1 C 132.687 0.3 1 429 44 44 TYR CE1 C 117.891 0.3 1 430 44 44 TYR N N 115.276 0.3 1 431 45 45 MET H H 9.048 0.03 1 432 45 45 MET HA H 4.990 0.03 1 433 45 45 MET HB2 H 1.801 0.03 2 434 45 45 MET HB3 H 1.867 0.03 2 435 45 45 MET HG2 H 2.065 0.03 2 436 45 45 MET HG3 H 2.143 0.03 2 437 45 45 MET HE H 1.786 0.03 1 438 45 45 MET C C 173.327 0.3 1 439 45 45 MET CA C 52.614 0.3 1 440 45 45 MET CB C 36.223 0.3 1 441 45 45 MET CG C 30.189 0.3 1 442 45 45 MET CE C 17.509 0.3 1 443 45 45 MET N N 116.813 0.3 1 444 46 46 PRO HA H 4.756 0.03 1 445 46 46 PRO HB2 H 2.030 0.03 2 446 46 46 PRO HB3 H 2.820 0.03 2 447 46 46 PRO HG2 H 1.660 0.03 1 448 46 46 PRO HG3 H 1.660 0.03 1 449 46 46 PRO HD2 H 3.524 0.03 1 450 46 46 PRO HD3 H 3.802 0.03 1 451 46 46 PRO C C 176.811 0.3 1 452 46 46 PRO CA C 62.209 0.3 1 453 46 46 PRO CD C 51.377 0.3 1 454 47 47 ILE H H 8.787 0.03 1 455 47 47 ILE HA H 3.424 0.03 1 456 47 47 ILE HB H 1.559 0.03 1 457 47 47 ILE HG12 H -1.227 0.03 2 458 47 47 ILE HG13 H 0.579 0.03 2 459 47 47 ILE HG2 H 0.639 0.03 1 460 47 47 ILE HD1 H 0.024 0.03 1 461 47 47 ILE CA C 67.806 0.3 1 462 47 47 ILE CB C 35.251 0.3 1 463 47 47 ILE CG1 C 28.610 0.3 1 464 47 47 ILE CG2 C 17.414 0.3 1 465 47 47 ILE CD1 C 13.457 0.3 1 466 47 47 ILE N N 127.657 0.3 1 467 48 48 PRO HA H 4.036 0.03 1 468 48 48 PRO HB2 H 1.881 0.03 2 469 48 48 PRO HB3 H 2.345 0.03 2 470 48 48 PRO HG2 H 2.080 0.03 1 471 48 48 PRO HG3 H 2.080 0.03 1 472 48 48 PRO HD2 H 3.630 0.03 1 473 48 48 PRO HD3 H 3.852 0.03 1 474 48 48 PRO C C 177.427 0.3 1 475 48 48 PRO CA C 65.295 0.3 1 476 48 48 PRO CB C 31.217 0.3 1 477 48 48 PRO CG C 28.905 0.3 1 478 48 48 PRO CD C 50.486 0.3 1 479 49 49 HIS H H 6.879 0.03 1 480 49 49 HIS HA H 4.450 0.03 1 481 49 49 HIS HB2 H 3.183 0.03 2 482 49 49 HIS HB3 H 3.242 0.03 2 483 49 49 HIS HD2 H 6.898 0.03 1 484 49 49 HIS HE1 H 7.992 0.03 1 485 49 49 HIS C C 178.576 0.3 1 486 49 49 HIS CA C 57.733 0.3 1 487 49 49 HIS CB C 30.494 0.3 1 488 49 49 HIS CD2 C 117.134 0.3 1 489 49 49 HIS CE1 C 137.914 0.3 1 490 49 49 HIS N N 112.918 0.3 1 491 50 50 VAL H H 7.858 0.03 1 492 50 50 VAL HA H 3.627 0.03 1 493 50 50 VAL HB H 2.798 0.03 1 494 50 50 VAL HG1 H 1.447 0.03 1 495 50 50 VAL HG2 H 1.346 0.03 1 496 50 50 VAL C C 177.876 0.3 1 497 50 50 VAL CA C 66.596 0.3 1 498 50 50 VAL CB C 31.877 0.3 1 499 50 50 VAL CG1 C 23.084 0.3 1 500 50 50 VAL CG2 C 23.672 0.3 1 501 50 50 VAL N N 121.270 0.3 1 502 51 51 ARG H H 8.159 0.03 1 503 51 51 ARG HA H 4.440 0.03 1 504 51 51 ARG C C 177.865 0.3 1 505 51 51 ARG N N 121.083 0.3 1 506 52 52 ASP H H 7.868 0.03 1 507 52 52 ASP HA H 4.264 0.03 1 508 52 52 ASP HB2 H 2.572 0.03 2 509 52 52 ASP HB3 H 2.620 0.03 2 510 52 52 ASP C C 177.131 0.3 1 511 52 52 ASP CA C 56.089 0.3 1 512 52 52 ASP CB C 39.687 0.3 1 513 52 52 ASP N N 115.746 0.3 1 514 53 53 SER H H 7.542 0.03 1 515 53 53 SER HA H 4.285 0.03 1 516 53 53 SER HB2 H 3.864 0.03 2 517 53 53 SER HB3 H 4.000 0.03 2 518 53 53 SER C C 174.949 0.3 1 519 53 53 SER CA C 60.340 0.3 1 520 53 53 SER CB C 63.114 0.3 1 521 53 53 SER N N 113.839 0.3 1 522 54 54 LEU H H 7.467 0.03 1 523 54 54 LEU HA H 4.418 0.03 1 524 54 54 LEU HB2 H 1.850 0.03 2 525 54 54 LEU HB3 H 1.508 0.03 2 526 54 54 LEU HG H 1.741 0.03 1 527 54 54 LEU HD1 H 1.036 0.03 1 528 54 54 LEU HD2 H 0.891 0.03 1 529 54 54 LEU C C 175.994 0.3 1 530 54 54 LEU CA C 55.742 0.3 1 531 54 54 LEU CB C 44.383 0.3 1 532 54 54 LEU CG C 29.622 0.3 1 533 54 54 LEU CD1 C 27.185 0.3 1 534 54 54 LEU CD2 C 23.562 0.3 1 535 54 54 LEU N N 119.535 0.3 1 536 55 55 ILE H H 8.074 0.03 1 537 55 55 ILE HA H 4.240 0.03 1 538 55 55 ILE HB H 1.454 0.03 1 539 55 55 ILE HG12 H 0.887 0.03 2 540 55 55 ILE HG13 H 1.542 0.03 2 541 55 55 ILE HG2 H 0.711 0.03 1 542 55 55 ILE HD1 H 0.749 0.03 1 543 55 55 ILE C C 175.305 0.3 1 544 55 55 ILE CA C 60.219 0.3 1 545 55 55 ILE CB C 39.420 0.3 1 546 55 55 ILE CG1 C 26.524 0.3 1 547 55 55 ILE CG2 C 18.357 0.3 1 548 55 55 ILE CD1 C 14.737 0.3 1 549 55 55 ILE N N 120.539 0.3 1 550 56 56 GLN H H 9.175 0.03 1 551 56 56 GLN HA H 4.388 0.03 1 552 56 56 GLN HB2 H 1.640 0.03 2 553 56 56 GLN HB3 H 2.110 0.03 2 554 56 56 GLN HG2 H 2.449 0.03 1 555 56 56 GLN HG3 H 2.449 0.03 1 556 56 56 GLN HE21 H 6.851 0.03 2 557 56 56 GLN HE22 H 7.548 0.03 2 558 56 56 GLN CA C 55.107 0.3 1 559 56 56 GLN CB C 27.150 0.3 1 560 56 56 GLN CG C 33.900 0.3 1 561 56 56 GLN N N 127.628 0.3 1 562 56 56 GLN NE2 N 112.743 0.3 1 563 57 57 PRO HG2 H 1.980 0.03 1 564 57 57 PRO HG3 H 1.980 0.03 1 565 57 57 PRO HD2 H 3.756 0.03 1 566 57 57 PRO HD3 H 3.899 0.03 1 567 57 57 PRO CG C 27.379 0.3 1 568 57 57 PRO CD C 50.274 0.3 1 569 58 58 HIS HA H 4.478 0.03 1 570 58 58 HIS HB2 H 3.085 0.03 2 571 58 58 HIS HB3 H 3.278 0.03 2 572 58 58 HIS HD2 H 7.079 0.03 1 573 58 58 HIS C C 175.523 0.3 1 574 58 58 HIS CA C 57.723 0.3 1 575 58 58 HIS CB C 29.048 0.3 1 576 58 58 HIS CD2 C 118.894 0.3 1 577 59 59 ASP H H 7.848 0.03 1 578 59 59 ASP HA H 4.962 0.03 1 579 59 59 ASP HB2 H 2.420 0.03 2 580 59 59 ASP HB3 H 2.780 0.03 2 581 59 59 ASP C C 176.127 0.3 1 582 59 59 ASP CA C 54.256 0.3 1 583 59 59 ASP CB C 42.755 0.3 1 584 59 59 ASP N N 119.042 0.3 1 585 60 60 ARG H H 7.183 0.03 1 586 60 60 ARG HA H 3.608 0.03 1 587 60 60 ARG HB2 H 1.753 0.03 1 588 60 60 ARG HB3 H 1.753 0.03 1 589 60 60 ARG HG2 H 1.357 0.03 1 590 60 60 ARG HG3 H 1.357 0.03 1 591 60 60 ARG HD2 H 2.969 0.03 2 592 60 60 ARG HD3 H 3.048 0.03 2 593 60 60 ARG C C 178.235 0.3 1 594 60 60 ARG CA C 60.690 0.3 1 595 60 60 ARG CB C 29.591 0.3 1 596 60 60 ARG CG C 28.218 0.3 1 597 60 60 ARG CD C 43.106 0.3 1 598 60 60 ARG N N 119.842 0.3 1 599 61 61 LYS H H 8.330 0.03 1 600 61 61 LYS HA H 4.107 0.03 1 601 61 61 LYS HB2 H 1.845 0.03 1 602 61 61 LYS HB3 H 1.845 0.03 1 603 61 61 LYS HG2 H 1.510 0.03 1 604 61 61 LYS HG3 H 1.510 0.03 1 605 61 61 LYS HD2 H 1.707 0.03 1 606 61 61 LYS HD3 H 1.707 0.03 1 607 61 61 LYS HE2 H 2.994 0.03 1 608 61 61 LYS HE3 H 2.994 0.03 1 609 61 61 LYS C C 179.297 0.3 1 610 61 61 LYS CA C 59.701 0.3 1 611 61 61 LYS CB C 31.905 0.3 1 612 61 61 LYS CG C 25.214 0.3 1 613 61 61 LYS CD C 29.072 0.3 1 614 61 61 LYS CE C 41.980 0.3 1 615 61 61 LYS N N 118.480 0.3 1 616 62 62 LYS H H 8.275 0.03 1 617 62 62 LYS HA H 4.158 0.03 1 618 62 62 LYS HB2 H 1.796 0.03 2 619 62 62 LYS HB3 H 1.985 0.03 2 620 62 62 LYS HG2 H 1.459 0.03 1 621 62 62 LYS HG3 H 1.459 0.03 1 622 62 62 LYS HE2 H 2.995 0.03 1 623 62 62 LYS HE3 H 2.995 0.03 1 624 62 62 LYS C C 178.505 0.3 1 625 62 62 LYS CA C 58.761 0.3 1 626 62 62 LYS CB C 32.400 0.3 1 627 62 62 LYS CG C 24.848 0.3 1 628 62 62 LYS CE C 41.969 0.3 1 629 62 62 LYS N N 119.697 0.3 1 630 63 63 MET H H 7.829 0.03 1 631 63 63 MET HA H 4.879 0.03 1 632 63 63 MET HB2 H 1.974 0.03 2 633 63 63 MET HB3 H 2.330 0.03 2 634 63 63 MET HG2 H 2.566 0.03 2 635 63 63 MET HG3 H 2.808 0.03 2 636 63 63 MET HE H 2.096 0.03 1 637 63 63 MET C C 176.252 0.3 1 638 63 63 MET CA C 53.971 0.3 1 639 63 63 MET CB C 31.884 0.3 1 640 63 63 MET CG C 33.119 0.3 1 641 63 63 MET CE C 17.066 0.3 1 642 63 63 MET N N 113.538 0.3 1 643 64 64 LYS H H 7.384 0.03 1 644 64 64 LYS HA H 4.018 0.03 1 645 64 64 LYS HB2 H 1.917 0.03 2 646 64 64 LYS HB3 H 2.160 0.03 2 647 64 64 LYS HG2 H 1.498 0.03 2 648 64 64 LYS HG3 H 1.579 0.03 2 649 64 64 LYS C C 176.562 0.3 1 650 64 64 LYS CA C 61.024 0.3 1 651 64 64 LYS CB C 33.026 0.3 1 652 64 64 LYS CG C 24.945 0.3 1 653 64 64 LYS N N 122.858 0.3 1 654 65 65 LYS H H 8.344 0.03 1 655 65 65 LYS HA H 4.216 0.03 1 656 65 65 LYS C C 179.204 0.3 1 657 65 65 LYS CA C 59.393 0.3 1 658 65 65 LYS N N 116.155 0.3 1 659 66 66 VAL H H 7.610 0.03 1 660 66 66 VAL HA H 3.418 0.03 1 661 66 66 VAL HB H 2.149 0.03 1 662 66 66 VAL HG1 H 0.886 0.03 1 663 66 66 VAL HG2 H 1.146 0.03 1 664 66 66 VAL C C 176.997 0.3 1 665 66 66 VAL CA C 66.597 0.3 1 666 66 66 VAL CB C 32.074 0.3 1 667 66 66 VAL CG1 C 21.587 0.3 1 668 66 66 VAL CG2 C 23.416 0.3 1 669 66 66 VAL N N 118.821 0.3 1 670 67 67 TRP H H 8.542 0.03 1 671 67 67 TRP HA H 4.250 0.03 1 672 67 67 TRP HB2 H 3.211 0.03 2 673 67 67 TRP HB3 H 3.481 0.03 2 674 67 67 TRP HD1 H 7.385 0.03 1 675 67 67 TRP HE1 H 9.859 0.03 1 676 67 67 TRP HE3 H 7.170 0.03 1 677 67 67 TRP HZ2 H 7.330 0.03 1 678 67 67 TRP HZ3 H 7.390 0.03 1 679 67 67 TRP HH2 H 6.910 0.03 1 680 67 67 TRP C C 176.456 0.3 1 681 67 67 TRP CA C 60.687 0.3 1 682 67 67 TRP CB C 29.019 0.3 1 683 67 67 TRP CD1 C 127.143 0.3 1 684 67 67 TRP CE3 C 124.290 0.3 1 685 67 67 TRP CZ2 C 114.170 0.3 1 686 67 67 TRP CZ3 C 113.320 0.3 1 687 67 67 TRP CH2 C 123.840 0.3 1 688 67 67 TRP N N 119.418 0.3 1 689 67 67 TRP NE1 N 128.795 0.3 1 690 68 68 ASP H H 8.670 0.03 1 691 68 68 ASP HA H 4.187 0.03 1 692 68 68 ASP HB2 H 2.710 0.03 2 693 68 68 ASP HB3 H 2.782 0.03 2 694 68 68 ASP C C 179.691 0.3 1 695 68 68 ASP CA C 57.707 0.3 1 696 68 68 ASP CB C 39.679 0.3 1 697 68 68 ASP N N 117.097 0.3 1 698 69 69 ARG H H 8.109 0.03 1 699 69 69 ARG HA H 4.094 0.03 1 700 69 69 ARG HB2 H 1.887 0.03 2 701 69 69 ARG HB3 H 1.953 0.03 2 702 69 69 ARG HG2 H 1.690 0.03 2 703 69 69 ARG HG3 H 2.038 0.03 2 704 69 69 ARG HD2 H 2.921 0.03 2 705 69 69 ARG HD3 H 3.276 0.03 2 706 69 69 ARG C C 179.073 0.3 1 707 69 69 ARG CA C 59.289 0.3 1 708 69 69 ARG CG C 27.566 0.3 1 709 69 69 ARG CD C 43.993 0.3 1 710 69 69 ARG N N 117.782 0.3 1 711 70 70 ALA H H 8.430 0.03 1 712 70 70 ALA HA H 3.823 0.03 1 713 70 70 ALA HB H 1.235 0.03 1 714 70 70 ALA C C 178.587 0.03 1 715 70 70 ALA CA C 55.300 0.03 1 716 70 70 ALA CB C 18.317 0.03 1 717 70 70 ALA N N 124.957 0.03 1 718 71 71 VAL H H 8.289 0.03 1 719 71 71 VAL HA H 3.476 0.03 1 720 71 71 VAL HB H 2.056 0.03 1 721 71 71 VAL HG1 H 0.987 0.03 1 722 71 71 VAL HG2 H 0.530 0.03 1 723 71 71 VAL C C 179.402 0.3 1 724 71 71 VAL CA C 67.299 0.3 1 725 71 71 VAL CB C 31.896 0.3 1 726 71 71 VAL CG1 C 21.336 0.3 1 727 71 71 VAL CG2 C 22.270 0.3 1 728 71 71 VAL N N 118.772 0.3 1 729 72 72 ASP H H 7.767 0.03 1 730 72 72 ASP HA H 4.438 0.03 1 731 72 72 ASP HB2 H 2.655 0.03 2 732 72 72 ASP HB3 H 2.749 0.03 2 733 72 72 ASP C C 178.516 0.3 1 734 72 72 ASP CA C 57.195 0.3 1 735 72 72 ASP CB C 40.668 0.3 1 736 72 72 ASP N N 119.969 0.3 1 737 73 73 PHE H H 8.673 0.03 1 738 73 73 PHE HA H 4.016 0.03 1 739 73 73 PHE HB2 H 3.200 0.03 2 740 73 73 PHE HB3 H 3.359 0.03 2 741 73 73 PHE HD1 H 7.093 0.03 1 742 73 73 PHE C C 178.917 0.3 1 743 73 73 PHE CA C 61.920 0.3 1 744 73 73 PHE CB C 39.528 0.3 1 745 73 73 PHE CD1 C 131.844 0.3 1 746 73 73 PHE N N 122.654 0.3 1 747 74 74 LEU H H 8.550 0.03 1 748 74 74 LEU HA H 3.861 0.03 1 749 74 74 LEU HB2 H 1.301 0.03 2 750 74 74 LEU HB3 H 1.988 0.03 2 751 74 74 LEU HG H 1.794 0.03 1 752 74 74 LEU HD1 H 0.682 0.03 2 753 74 74 LEU HD2 H 0.508 0.03 2 754 74 74 LEU C C 179.296 0.3 1 755 74 74 LEU CA C 57.860 0.3 1 756 74 74 LEU CB C 42.522 0.3 1 757 74 74 LEU CG C 27.049 0.3 1 758 74 74 LEU CD1 C 24.902 0.3 1 759 74 74 LEU CD2 C 26.912 0.3 1 760 74 74 LEU N N 120.308 0.3 1 761 75 75 ALA H H 7.805 0.03 1 762 75 75 ALA HA H 4.174 0.03 1 763 75 75 ALA HB H 1.581 0.03 1 764 75 75 ALA C C 179.201 0.3 1 765 75 75 ALA CA C 54.589 0.3 1 766 75 75 ALA CB C 18.514 0.3 1 767 75 75 ALA N N 120.078 0.3 1 768 76 76 ALA H H 7.440 0.03 1 769 76 76 ALA HA H 4.261 0.03 1 770 76 76 ALA HB H 1.271 0.03 1 771 76 76 ALA CA C 53.472 0.3 1 772 76 76 ALA CB C 19.980 0.3 1 773 76 76 ALA N N 116.242 0.3 1 774 80 80 ARG HA H 3.895 0.03 1 775 80 80 ARG HB2 H 1.701 0.03 1 776 80 80 ARG HB3 H 1.701 0.03 1 777 80 80 ARG C C 173.631 0.3 1 778 80 80 ARG CA C 56.846 0.3 1 779 81 81 VAL H H 7.057 0.03 1 780 81 81 VAL HA H 4.697 0.03 1 781 81 81 VAL HB H 1.654 0.03 1 782 81 81 VAL HG1 H 0.433 0.03 1 783 81 81 VAL HG2 H 0.742 0.03 1 784 81 81 VAL C C 174.755 0.3 1 785 81 81 VAL CA C 60.535 0.3 1 786 81 81 VAL CB C 34.045 0.3 1 787 81 81 VAL CG1 C 21.685 0.3 1 788 81 81 VAL CG2 C 22.667 0.3 1 789 81 81 VAL N N 114.930 0.3 1 790 82 82 ARG H H 8.857 0.03 1 791 82 82 ARG HA H 4.841 0.03 1 792 82 82 ARG HB2 H 1.722 0.03 2 793 82 82 ARG HB3 H 1.817 0.03 2 794 82 82 ARG HG2 H 1.582 0.03 2 795 82 82 ARG HG3 H 1.655 0.03 2 796 82 82 ARG HD2 H 3.216 0.03 2 797 82 82 ARG HD3 H 3.238 0.03 2 798 82 82 ARG C C 175.331 0.3 1 799 82 82 ARG CA C 53.933 0.3 1 800 82 82 ARG CB C 33.661 0.3 1 801 82 82 ARG CG C 27.067 0.3 1 802 82 82 ARG CD C 43.171 0.3 1 803 82 82 ARG N N 126.760 0.3 1 804 83 83 THR H H 8.763 0.03 1 805 83 83 THR HA H 5.638 0.03 1 806 83 83 THR HB H 4.051 0.03 1 807 83 83 THR HG2 H 1.186 0.03 1 808 83 83 THR C C 174.626 0.3 1 809 83 83 THR CA C 61.959 0.3 1 810 83 83 THR CB C 69.360 0.3 1 811 83 83 THR CG2 C 22.260 0.3 1 812 83 83 THR N N 120.629 0.3 1 813 84 84 GLU H H 9.074 0.03 1 814 84 84 GLU HA H 4.726 0.03 1 815 84 84 GLU HB2 H 1.649 0.03 2 816 84 84 GLU HB3 H 2.015 0.03 2 817 84 84 GLU HG2 H 1.912 0.03 2 818 84 84 GLU HG3 H 2.170 0.03 2 819 84 84 GLU C C 174.118 0.3 1 820 84 84 GLU CA C 54.115 0.3 1 821 84 84 GLU CB C 33.878 0.3 1 822 84 84 GLU CG C 36.200 0.3 1 823 84 84 GLU N N 124.431 0.3 1 824 85 85 THR H H 8.369 0.03 1 825 85 85 THR HA H 5.197 0.03 1 826 85 85 THR HB H 3.861 0.03 1 827 85 85 THR HG2 H 0.999 0.03 1 828 85 85 THR C C 174.976 0.3 1 829 85 85 THR CA C 61.688 0.3 1 830 85 85 THR CB C 69.393 0.3 1 831 85 85 THR CG2 C 21.326 0.3 1 832 85 85 THR N N 115.677 0.3 1 833 86 86 ARG H H 9.033 0.03 1 834 86 86 ARG HA H 4.514 0.03 1 835 86 86 ARG HB2 H 1.169 0.03 2 836 86 86 ARG HB3 H 1.445 0.03 2 837 86 86 ARG HG2 H 0.651 0.03 2 838 86 86 ARG HG3 H 1.070 0.03 2 839 86 86 ARG HD2 H 2.663 0.03 2 840 86 86 ARG HD3 H 2.921 0.03 2 841 86 86 ARG C C 173.505 0.3 1 842 86 86 ARG CA C 53.690 0.3 1 843 86 86 ARG CB C 34.466 0.3 1 844 86 86 ARG CG C 26.945 0.3 1 845 86 86 ARG CD C 42.477 0.3 1 846 86 86 ARG N N 125.095 0.3 1 847 87 87 ARG H H 8.437 0.03 1 848 87 87 ARG HA H 5.088 0.03 1 849 87 87 ARG HB2 H 1.671 0.03 2 850 87 87 ARG HB3 H 1.761 0.03 2 851 87 87 ARG HG2 H 1.263 0.03 2 852 87 87 ARG HG3 H 1.511 0.03 2 853 87 87 ARG HD2 H 3.016 0.03 1 854 87 87 ARG HD3 H 3.016 0.03 1 855 87 87 ARG C C 176.113 0.3 1 856 87 87 ARG CA C 55.119 0.3 1 857 87 87 ARG CB C 30.222 0.3 1 858 87 87 ARG CG C 26.828 0.3 1 859 87 87 ARG CD C 42.972 0.3 1 860 87 87 ARG N N 123.889 0.3 1 861 88 88 ILE H H 9.183 0.03 1 862 88 88 ILE HA H 4.322 0.03 1 863 88 88 ILE HB H 1.845 0.03 1 864 88 88 ILE HG12 H 1.045 0.03 2 865 88 88 ILE HG13 H 1.426 0.03 2 866 88 88 ILE HG2 H 0.816 0.03 1 867 88 88 ILE HD1 H 0.616 0.03 1 868 88 88 ILE C C 176.867 0.3 1 869 88 88 ILE CA C 60.801 0.3 1 870 88 88 ILE CB C 40.250 0.3 1 871 88 88 ILE CG1 C 26.765 0.3 1 872 88 88 ILE CG2 C 17.311 0.3 1 873 88 88 ILE CD1 C 13.818 0.3 1 874 88 88 ILE N N 128.370 0.3 1 875 89 89 GLY H H 9.207 0.03 1 876 89 89 GLY HA2 H 3.850 0.03 2 877 89 89 GLY HA3 H 3.931 0.03 2 878 89 89 GLY C C 175.332 0.3 1 879 89 89 GLY CA C 47.130 0.3 1 880 89 89 GLY N N 117.795 0.3 1 881 90 90 GLY H H 8.547 0.03 1 882 90 90 GLY HA2 H 3.732 0.03 2 883 90 90 GLY HA3 H 4.025 0.03 2 884 90 90 GLY C C 172.545 0.03 1 885 90 90 GLY CA C 45.143 0.03 1 886 90 90 GLY N N 106.952 0.3 1 887 91 91 ALA H H 7.633 0.03 1 888 91 91 ALA HA H 4.587 0.03 1 889 91 91 ALA HB H 1.229 0.03 1 890 91 91 ALA C C 174.431 0.3 1 891 91 91 ALA CA C 50.469 0.3 1 892 91 91 ALA CB C 22.076 0.3 1 893 91 91 ALA N N 122.605 0.3 1 894 92 92 ASP H H 8.206 0.03 1 895 92 92 ASP HA H 5.067 0.03 1 896 92 92 ASP HB2 H 2.211 0.03 2 897 92 92 ASP HB3 H 2.335 0.03 2 898 92 92 ASP C C 175.878 0.3 1 899 92 92 ASP CA C 54.247 0.3 1 900 92 92 ASP CB C 41.934 0.3 1 901 92 92 ASP N N 119.847 0.3 1 902 93 93 PHE H H 9.041 0.03 1 903 93 93 PHE HA H 4.651 0.03 1 904 93 93 PHE HB2 H 2.613 0.03 2 905 93 93 PHE HB3 H 2.862 0.03 2 906 93 93 PHE HD1 H 7.180 0.03 1 907 93 93 PHE HE1 H 7.400 0.03 1 908 93 93 PHE HZ H 7.330 0.03 1 909 93 93 PHE C C 174.451 0.3 1 910 93 93 PHE CA C 56.958 0.3 1 911 93 93 PHE CB C 42.818 0.3 1 912 93 93 PHE CD1 C 131.600 0.3 1 913 93 93 PHE CE1 C 131.300 0.3 1 914 93 93 PHE CZ C 129.500 0.3 1 915 93 93 PHE N N 120.646 0.3 1 916 94 94 LEU H H 8.448 0.03 1 917 94 94 LEU HA H 4.924 0.03 1 918 94 94 LEU HB2 H 1.206 0.03 2 919 94 94 LEU HB3 H 1.564 0.03 2 920 94 94 LEU HG H 1.550 0.03 1 921 94 94 LEU HD1 H 0.712 0.03 1 922 94 94 LEU HD2 H 0.802 0.03 1 923 94 94 LEU C C 176.997 0.3 1 924 94 94 LEU CA C 54.475 0.3 1 925 94 94 LEU CB C 43.246 0.3 1 926 94 94 LEU CG C 27.077 0.3 1 927 94 94 LEU CD1 C 23.922 0.3 1 928 94 94 LEU CD2 C 25.233 0.3 1 929 94 94 LEU N N 121.624 0.3 1 930 95 95 VAL H H 9.238 0.03 1 931 95 95 VAL HA H 4.977 0.03 1 932 95 95 VAL HB H 1.844 0.03 1 933 95 95 VAL HG1 H 0.449 0.03 1 934 95 95 VAL HG2 H 0.574 0.03 1 935 95 95 VAL C C 173.244 0.3 1 936 95 95 VAL CA C 57.629 0.3 1 937 95 95 VAL CB C 34.975 0.3 1 938 95 95 VAL CG1 C 20.291 0.3 1 939 95 95 VAL CG2 C 21.015 0.3 1 940 95 95 VAL N N 115.782 0.3 1 941 96 96 TRP H H 8.657 0.03 1 942 96 96 TRP HA H 6.008 0.03 1 943 96 96 TRP HB2 H 3.001 0.03 1 944 96 96 TRP HB3 H 3.001 0.03 1 945 96 96 TRP HD1 H 7.310 0.03 1 946 96 96 TRP HE1 H 9.640 0.03 1 947 96 96 TRP HE3 H 7.210 0.03 1 948 96 96 TRP HZ2 H 7.390 0.03 1 949 96 96 TRP HZ3 H 7.410 0.03 1 950 96 96 TRP HH2 H 7.180 0.03 1 951 96 96 TRP C C 176.798 0.3 1 952 96 96 TRP CA C 55.013 0.3 1 953 96 96 TRP CB C 34.284 0.3 1 954 96 96 TRP CD1 C 126.410 0.3 1 955 96 96 TRP CE3 C 124.100 0.3 1 956 96 96 TRP CZ2 C 114.120 0.3 1 957 96 96 TRP CZ3 C 131.450 0.3 1 958 96 96 TRP CH2 C 131.540 0.3 1 959 96 96 TRP N N 119.578 0.3 1 960 96 96 TRP NE1 N 128.251 0.3 1 961 97 97 ARG H H 8.947 0.03 1 962 97 97 ARG HA H 4.870 0.03 1 963 97 97 ARG HB2 H 1.697 0.03 2 964 97 97 ARG HB3 H 1.810 0.03 2 965 97 97 ARG HG2 H 1.647 0.03 1 966 97 97 ARG HG3 H 1.647 0.03 1 967 97 97 ARG HD2 H 3.089 0.03 1 968 97 97 ARG HD3 H 3.089 0.03 1 969 97 97 ARG C C 173.792 0.3 1 970 97 97 ARG CA C 55.029 0.3 1 971 97 97 ARG CB C 34.975 0.3 1 972 97 97 ARG CG C 27.436 0.3 1 973 97 97 ARG CD C 43.801 0.3 1 974 97 97 ARG N N 118.076 0.3 1 975 98 98 TRP H H 9.010 0.03 1 976 98 98 TRP HA H 5.185 0.03 1 977 98 98 TRP HB2 H 2.947 0.03 2 978 98 98 TRP HB3 H 3.124 0.03 2 979 98 98 TRP HD1 H 6.920 0.03 1 980 98 98 TRP HE1 H 10.209 0.03 1 981 98 98 TRP HE3 H 7.210 0.03 1 982 98 98 TRP HZ2 H 7.390 0.03 1 983 98 98 TRP C C 175.376 0.3 1 984 98 98 TRP CA C 56.458 0.3 1 985 98 98 TRP CB C 31.161 0.3 1 986 98 98 TRP CD1 C 125.930 0.3 1 987 98 98 TRP N N 125.759 0.3 1 988 98 98 TRP NE1 N 128.098 0.3 1 989 99 99 ILE H H 8.614 0.03 1 990 99 99 ILE HA H 4.136 0.03 1 991 99 99 ILE HB H 1.685 0.03 1 992 99 99 ILE HG12 H 0.964 0.03 2 993 99 99 ILE HG13 H 1.140 0.03 2 994 99 99 ILE HG2 H 0.669 0.03 1 995 99 99 ILE HD1 H 0.647 0.03 1 996 99 99 ILE C C 174.443 0.3 1 997 99 99 ILE CA C 59.227 0.3 1 998 99 99 ILE CB C 38.233 0.3 1 999 99 99 ILE CG1 C 26.570 0.3 1 1000 99 99 ILE CG2 C 17.889 0.3 1 1001 99 99 ILE CD1 C 12.559 0.3 1 1002 99 99 ILE N N 127.897 0.3 1 1003 100 100 GLN H H 7.934 0.03 1 1004 100 100 GLN HA H 4.448 0.03 1 1005 100 100 GLN HB2 H 1.936 0.03 2 1006 100 100 GLN HB3 H 2.030 0.03 2 1007 100 100 GLN HG2 H 2.446 0.03 1 1008 100 100 GLN HG3 H 2.446 0.03 1 1009 100 100 GLN HE21 H 6.998 0.03 1 1010 100 100 GLN HE22 H 7.648 0.03 1 1011 100 100 GLN C C 173.956 0.3 1 1012 100 100 GLN CA C 53.176 0.3 1 1013 100 100 GLN CB C 29.392 0.3 1 1014 100 100 GLN CG C 33.119 0.3 1 1015 100 100 GLN N N 124.957 0.3 1 1016 100 100 GLN NE2 N 112.159 0.3 1 1017 101 101 PRO HA H 4.405 0.03 1 1018 101 101 PRO HB2 H 1.914 0.03 2 1019 101 101 PRO HB3 H 2.270 0.03 2 1020 101 101 PRO HG2 H 1.902 0.03 2 1021 101 101 PRO HG3 H 2.033 0.03 2 1022 101 101 PRO HD2 H 3.662 0.03 2 1023 101 101 PRO HD3 H 3.749 0.03 2 1024 101 101 PRO C C 176.752 0.3 1 1025 101 101 PRO CA C 62.960 0.3 1 1026 101 101 PRO CB C 32.238 0.3 1 1027 101 101 PRO CG C 27.419 0.3 1 1028 101 101 PRO CD C 50.879 0.3 1 1029 102 102 SER H H 8.404 0.03 1 1030 102 102 SER HA H 4.410 0.03 1 1031 102 102 SER HB2 H 3.863 0.03 1 1032 102 102 SER HB3 H 3.863 0.03 1 1033 102 102 SER C C 174.200 0.3 1 1034 102 102 SER CA C 58.371 0.3 1 1035 102 102 SER CB C 63.516 0.3 1 1036 102 102 SER N N 116.064 0.3 1 1037 103 103 ALA H H 8.379 0.03 1 1038 103 103 ALA HA H 4.380 0.03 1 1039 103 103 ALA HB H 1.407 0.03 1 1040 103 103 ALA C C 177.500 0.3 1 1041 103 103 ALA CA C 52.547 0.3 1 1042 103 103 ALA CB C 19.771 0.3 1 1043 103 103 ALA N N 125.296 0.3 1 1044 104 104 SER H H 8.255 0.03 1 1045 104 104 SER HA H 4.410 0.03 1 1046 104 104 SER HB2 H 3.863 0.03 1 1047 104 104 SER HB3 H 3.863 0.03 1 1048 104 104 SER C C 174.481 0.3 1 1049 104 104 SER CA C 58.371 0.3 1 1050 104 104 SER CB C 63.516 0.3 1 1051 104 104 SER N N 114.078 0.3 1 1052 105 105 CYS H H 7.920 0.03 1 1053 105 105 CYS N N 127.570 0.3 1 1054 108 108 ILE H H 8.121 0.03 1 1055 108 108 ILE HB H 1.828 0.03 1 1056 108 108 ILE HG12 H 1.151 0.03 2 1057 108 108 ILE HG13 H 1.448 0.03 2 1058 108 108 ILE HG2 H 0.860 0.03 1 1059 108 108 ILE HD1 H 0.824 0.03 1 1060 108 108 ILE C C 175.657 0.3 1 1061 108 108 ILE CB C 38.698 0.3 1 1062 108 108 ILE CG1 C 27.219 0.3 1 1063 108 108 ILE CG2 C 17.706 0.3 1 1064 108 108 ILE CD1 C 13.089 0.3 1 1065 108 108 ILE N N 121.553 0.3 1 1066 109 109 LEU H H 8.288 0.03 1 1067 109 109 LEU HA H 4.385 0.03 1 1068 109 109 LEU HB2 H 1.594 0.03 1 1069 109 109 LEU HB3 H 1.594 0.03 1 1070 109 109 LEU HG H 1.545 0.03 1 1071 109 109 LEU HD1 H 0.811 0.03 1 1072 109 109 LEU HD2 H 0.900 0.03 1 1073 109 109 LEU C C 176.387 0.3 1 1074 109 109 LEU CA C 54.980 0.3 1 1075 109 109 LEU CB C 42.650 0.3 1 1076 109 109 LEU CG C 26.935 0.3 1 1077 109 109 LEU N N 126.214 0.3 1 1078 110 110 VAL H H 8.138 0.03 1 1079 110 110 VAL HA H 4.065 0.03 1 1080 110 110 VAL HB H 1.970 0.03 1 1081 110 110 VAL HG1 H 0.893 0.03 1 1082 110 110 VAL C C 175.338 0.3 1 1083 110 110 VAL CA C 61.988 0.3 1 1084 110 110 VAL CB C 32.797 0.3 1 1085 110 110 VAL N N 122.603 0.3 1 1086 111 111 ILE H H 8.232 0.03 1 1087 111 111 ILE HA H 4.431 0.03 1 1088 111 111 ILE HB H 1.829 0.03 1 1089 111 111 ILE HG12 H 1.151 0.03 2 1090 111 111 ILE HG13 H 1.448 0.03 2 1091 111 111 ILE HG2 H 0.860 0.03 1 1092 111 111 ILE HD1 H 0.824 0.03 1 1093 111 111 ILE C C 174.309 0.3 1 1094 111 111 ILE CA C 58.328 0.3 1 1095 111 111 ILE CB C 38.698 0.3 1 1096 111 111 ILE CG1 C 27.219 0.3 1 1097 111 111 ILE CG2 C 17.706 0.3 1 1098 111 111 ILE CD1 C 13.089 0.3 1 1099 111 111 ILE N N 126.208 0.3 1 1100 112 112 PRO HD2 H 3.623 0.03 2 1101 112 112 PRO HD3 H 3.865 0.03 2 1102 112 112 PRO CD C 51.152 0.3 1 stop_ save_