data_6946 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of free form of the GTP/GDP binding domain of translation initiation factor IF2 ; _BMRB_accession_number 6946 _BMRB_flat_file_name bmr6946.str _Entry_type original _Submission_date 2006-01-22 _Accession_date 2006-01-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; structure of GTPase domain of IF2 from Bacillus stearothermophilus. Amino acid sequence is GSHM+ residues 241-415 from B.st. IF2. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tischenko Eugene V. . 2 Folkers Gert . . 3 Boelens Rolf . . 4 Gualerzi Claudio O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 671 "13C chemical shifts" 597 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-11-07 original author . stop_ _Original_release_date 2006-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The nucleotide-binding site of bacterial translation initiation factor 2 (IF2) as a metabolic sensor' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16968770 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Milon P. . . 2 Tischenko Eugene V. . 3 Tomsic J. . . 4 Caserta E. . . 5 Folkers Gert . . 6 'La Teana' A. . . 7 Rodnina M. V. . 8 Pon C. L. . 9 Boelens Rolf . . 10 Gualerzi Claudio O. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 103 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13962 _Page_last 13967 _Year 2006 _Details . loop_ _Keyword GTPase 'initiation factor' NMR translation stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'g2 free' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'g2 free' $GTPase_domain_from_IF2 stop_ _System_molecular_weight 19500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GTPase_domain_from_IF2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IF2G2 _Molecular_mass 19500 _Mol_thiol_state 'all free' loop_ _Biological_function 'Translation Initiation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 178 _Mol_residue_sequence ; GSHMVERPPVVTIMGHVDHG KTTLLDAIRHSKVTEQEAGG ITQHIGAYQVTVNDKKITFL DTPGHEAFTTMRARGAQVTD IVILVVAADDGVMPQTVEAI NHAKAANVPIIVAINKMDKP EANPDRVMQELMEYNLVPEE WGGDTIFCKLSAKTKEGLDH LLEMILLVSEMEELKANP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 VAL 6 GLU 7 ARG 8 PRO 9 PRO 10 VAL 11 VAL 12 THR 13 ILE 14 MET 15 GLY 16 HIS 17 VAL 18 ASP 19 HIS 20 GLY 21 LYS 22 THR 23 THR 24 LEU 25 LEU 26 ASP 27 ALA 28 ILE 29 ARG 30 HIS 31 SER 32 LYS 33 VAL 34 THR 35 GLU 36 GLN 37 GLU 38 ALA 39 GLY 40 GLY 41 ILE 42 THR 43 GLN 44 HIS 45 ILE 46 GLY 47 ALA 48 TYR 49 GLN 50 VAL 51 THR 52 VAL 53 ASN 54 ASP 55 LYS 56 LYS 57 ILE 58 THR 59 PHE 60 LEU 61 ASP 62 THR 63 PRO 64 GLY 65 HIS 66 GLU 67 ALA 68 PHE 69 THR 70 THR 71 MET 72 ARG 73 ALA 74 ARG 75 GLY 76 ALA 77 GLN 78 VAL 79 THR 80 ASP 81 ILE 82 VAL 83 ILE 84 LEU 85 VAL 86 VAL 87 ALA 88 ALA 89 ASP 90 ASP 91 GLY 92 VAL 93 MET 94 PRO 95 GLN 96 THR 97 VAL 98 GLU 99 ALA 100 ILE 101 ASN 102 HIS 103 ALA 104 LYS 105 ALA 106 ALA 107 ASN 108 VAL 109 PRO 110 ILE 111 ILE 112 VAL 113 ALA 114 ILE 115 ASN 116 LYS 117 MET 118 ASP 119 LYS 120 PRO 121 GLU 122 ALA 123 ASN 124 PRO 125 ASP 126 ARG 127 VAL 128 MET 129 GLN 130 GLU 131 LEU 132 MET 133 GLU 134 TYR 135 ASN 136 LEU 137 VAL 138 PRO 139 GLU 140 GLU 141 TRP 142 GLY 143 GLY 144 ASP 145 THR 146 ILE 147 PHE 148 CYS 149 LYS 150 LEU 151 SER 152 ALA 153 LYS 154 THR 155 LYS 156 GLU 157 GLY 158 LEU 159 ASP 160 HIS 161 LEU 162 LEU 163 GLU 164 MET 165 ILE 166 LEU 167 LEU 168 VAL 169 SER 170 GLU 171 MET 172 GLU 173 GLU 174 LEU 175 LYS 176 ALA 177 ASN 178 PRO 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 BMRB 6995 GTPase_domain_from_IF2 100.00 178 100.00 100.00 2.66e-126 PDB 2LKC "Free B.St If2-G2" 100.00 178 100.00 100.00 2.66e-126 PDB 2LKD "If2-G2 Gdp Complex" 100.00 178 100.00 100.00 2.66e-126 DBJ BAD75548 "translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" 98.31 709 98.86 100.00 3.33e-118 DBJ GAD12201 "translation initiation factor IF-2 [Geobacillus kaustophilus GBlys]" 98.31 734 98.86 100.00 6.08e-118 DBJ GAJ59418 "translation initiation factor IF-2 [Geobacillus thermoleovorans B23]" 98.31 739 98.86 100.00 6.24e-118 EMBL CAA27987 "unnamed protein product [Geobacillus stearothermophilus]" 98.31 741 98.86 99.43 8.94e-118 GB ABO66491 "Translation initiation factor IF-2 [Geobacillus thermodenitrificans NG80-2]" 98.31 735 97.14 99.43 6.65e-116 GB ACX78663 "translation initiation factor IF-2 [Geobacillus sp. Y412MC61]" 98.31 739 98.86 100.00 6.24e-118 GB ADI27260 "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" 98.31 739 98.86 100.00 7.25e-118 GB ADU93636 "translation initiation factor IF-2 [Geobacillus sp. Y412MC52]" 98.31 739 98.86 100.00 6.24e-118 GB AEV18768 "Translation initiation factor IF-2 [Geobacillus thermoleovorans CCB_US3_UF5]" 98.31 739 98.86 100.00 6.24e-118 REF WP_008878544 "translation initiation factor IF-2 [Geobacillus sp. G11MC16]" 98.31 735 97.14 99.43 6.65e-116 REF WP_011230763 "translation initiation factor IF-2 [Geobacillus kaustophilus]" 98.31 709 98.86 100.00 3.33e-118 REF WP_011887154 "translation initiation factor IF-2 [Geobacillus thermodenitrificans]" 98.31 735 97.14 99.43 6.65e-116 REF WP_013145729 "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" 98.31 739 98.86 100.00 7.25e-118 REF WP_013523417 "MULTISPECIES: translation initiation factor IF-2 [Geobacillus]" 98.31 739 98.86 100.00 6.24e-118 SP A4IMD7 "RecName: Full=Translation initiation factor IF-2 [Geobacillus thermodenitrificans NG80-2]" 98.31 735 97.14 99.43 6.65e-116 SP P04766 "RecName: Full=Translation initiation factor IF-2 [Geobacillus stearothermophilus]" 98.31 741 98.86 99.43 8.94e-118 SP Q5L0I8 "RecName: Full=Translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" 98.31 709 98.86 100.00 3.33e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GTPase_domain_from_IF2 'Bacillus stearothermophilus' 1422 Bacteria . Bacillus stearothermophilus 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 $GTPase_domain_from_IF2 'recombinant technology' 'E. coli' . . . . 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 _Isotopic_labeling $GTPase_domain_from_IF2 0.6 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM . 'potassiumm chloride' 150 mM . DTT 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.0 loop_ _Vendor _Address _Electronic_address bruker . . stop_ loop_ _Task 'NMR data acquisitiuon' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name nmrPipe/draw _Version . loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task processing stop_ _Details . save_ save_nmrView _Saveframe_category software _Name NMRView _Version 5.0 loop_ _Vendor _Address _Electronic_address Merk . . stop_ loop_ _Task 'spectra analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details ; Bruker AVANCE 600, TXI probe with z gradients ; save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details ; Bruker AVANCE 600, cryo probe with z gradients ; save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 900 _Details ; Bruker AVANCE 900, TXI probe with z gradients ; save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label $sample_1 save_ save_13C_HSQC-CT_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC-CT' _Sample_label $sample_1 save_ save_13C_HSQC-CT-aroma_3 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC-CT-aroma' _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCOCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_1 save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCCONH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH-TOCSY _Sample_label $sample_1 save_ save_hCCCONH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name hCCCONH-TOCSY _Sample_label $sample_1 save_ save_hCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name hCCH-TOCSY _Sample_label $sample_1 save_ save_NOE-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOE-15N HSQC' _Sample_label $sample_1 save_ save_NOE-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOE-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details 'pH 6.5, temperature 315K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 315 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C 13 'methyl protons' ppm 0.0 external indirect . . . 0.25144954 $entry_citation $entry_citation TSP H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation TSP N 15 'methyl protons' ppm 0.0 external indirect . . . 0.10132900 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N HSQC' '13C HSQC-CT' '13C HSQC-CT-aroma' HNCA HNCOCA HNCO HCCCONH-TOCSY hCCCONH-TOCSY hCCH-TOCSY 'NOE-15N HSQC' 'NOE-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'g2 free' _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 10 10 VAL C C 175.34 0.1 1 2 11 11 VAL H H 9.12 0.01 1 3 11 11 VAL HA H 4.98 0.01 1 4 11 11 VAL HB H 1.32 0.01 1 5 11 11 VAL HG1 H 0.73 0.01 2 6 11 11 VAL HG2 H 0.37 0.01 2 7 11 11 VAL CA C 60.20 0.1 1 8 11 11 VAL CB C 33.77 0.1 1 9 11 11 VAL CG1 C 22.80 0.1 2 10 11 11 VAL CG2 C 21.73 0.1 2 11 11 11 VAL N N 129.60 0.1 1 12 12 12 THR HA H 4.81 0.01 1 13 12 12 THR HB H 4.66 0.01 1 14 12 12 THR HG2 H 1.12 0.01 1 15 12 12 THR C C 173.13 0.1 1 16 12 12 THR CA C 61.86 0.1 1 17 12 12 THR CB C 69.72 0.1 1 18 12 12 THR CG2 C 21.49 0.1 1 19 13 13 ILE H H 9.06 0.01 1 20 13 13 ILE HA H 4.95 0.01 1 21 13 13 ILE HB H 1.95 0.01 1 22 13 13 ILE HG2 H 1.03 0.01 1 23 13 13 ILE HD1 H 0.87 0.01 1 24 13 13 ILE C C 175.17 0.1 1 25 13 13 ILE CA C 61.04 0.1 1 26 13 13 ILE CB C 37.93 0.1 1 27 13 13 ILE CG2 C 19.73 0.1 1 28 13 13 ILE CD1 C 13.51 0.1 1 29 13 13 ILE N N 128.96 0.1 1 30 14 14 MET H H 9.41 0.01 1 31 14 14 MET HA H 4.91 0.01 1 32 14 14 MET HB2 H 2.32 0.01 2 33 14 14 MET HB3 H 1.58 0.01 2 34 14 14 MET HG2 H 2.32 0.01 2 35 14 14 MET HG3 H 1.58 0.01 2 36 14 14 MET HE H 1.96 0.01 1 37 14 14 MET C C 173.65 0.1 1 38 14 14 MET CA C 54.67 0.1 1 39 14 14 MET CB C 39.13 0.1 1 40 14 14 MET CG C 33.24 0.1 1 41 14 14 MET CE C 17.74 0.1 1 42 14 14 MET N N 126.16 0.1 1 43 15 15 GLY H H 8.67 0.01 1 44 15 15 GLY HA2 H 5.02 0.01 2 45 15 15 GLY HA3 H 3.37 0.01 2 46 15 15 GLY C C 171.67 0.1 1 47 15 15 GLY N N 106.33 0.1 1 48 16 16 HIS H H 9.31 0.01 1 49 16 16 HIS HA H 4.56 0.01 1 50 16 16 HIS HB2 H 2.48 0.01 2 51 16 16 HIS HD2 H 6.33 0.01 1 52 16 16 HIS HE1 H 7.82 0.01 1 53 16 16 HIS C C 176.39 0.1 1 54 16 16 HIS CA C 56.49 0.1 1 55 16 16 HIS CB C 31.68 0.1 1 56 16 16 HIS CD2 C 116.73 0.1 1 57 16 16 HIS CE1 C 140.05 0.1 1 58 16 16 HIS N N 121.02 0.1 1 59 17 17 VAL HA H 3.73 0.01 1 60 17 17 VAL HG1 H 1.08 0.01 2 61 17 17 VAL HG2 H 0.97 0.01 2 62 17 17 VAL CA C 66.92 0.1 1 63 17 17 VAL CB C 31.70 0.1 1 64 17 17 VAL CG1 C 21.56 0.1 2 65 17 17 VAL CG2 C 20.50 0.1 2 66 18 18 ASP HA H 4.60 0.01 1 67 18 18 ASP HB2 H 2.78 0.01 2 68 18 18 ASP HB3 H 2.37 0.01 2 69 18 18 ASP C C 176.60 0.1 1 70 18 18 ASP CA C 56.18 0.1 1 71 18 18 ASP CB C 39.90 0.1 1 72 19 19 HIS H H 7.68 0.01 1 73 19 19 HIS HA H 4.73 0.01 1 74 19 19 HIS HB2 H 3.42 0.01 2 75 19 19 HIS HB3 H 3.01 0.01 2 76 19 19 HIS HD2 H 7.09 0.01 1 77 19 19 HIS HE1 H 7.89 0.01 1 78 19 19 HIS C C 175.98 0.1 1 79 19 19 HIS CA C 55.16 0.1 1 80 19 19 HIS CB C 31.67 0.1 1 81 19 19 HIS CD2 C 116.29 0.1 1 82 19 19 HIS CE1 C 138.87 0.1 1 83 19 19 HIS N N 117.81 0.1 1 84 20 20 GLY H H 7.79 0.01 1 85 20 20 GLY HA2 H 4.16 0.01 2 86 20 20 GLY C C 174.47 0.1 1 87 20 20 GLY CA C 46.05 0.1 1 88 20 20 GLY N N 103.89 0.1 1 89 21 21 LYS H H 7.22 0.01 1 90 21 21 LYS HA H 3.81 0.01 1 91 21 21 LYS HB2 H 1.70 0.01 2 92 21 21 LYS HB3 H 1.62 0.01 2 93 21 21 LYS C C 176.26 0.1 1 94 21 21 LYS CA C 60.91 0.1 1 95 21 21 LYS CB C 32.72 0.1 1 96 21 21 LYS CG C 23.95 0.1 1 97 21 21 LYS CD C 29.87 0.1 1 98 21 21 LYS CE C 42.31 0.1 1 99 21 21 LYS N N 120.51 0.1 1 100 22 22 THR H H 8.46 0.01 1 101 22 22 THR HA H 4.08 0.01 1 102 22 22 THR HG2 H 1.31 0.01 1 103 22 22 THR C C 176.31 0.1 1 104 22 22 THR CA C 64.69 0.1 1 105 22 22 THR CG2 C 22.91 0.1 1 106 22 22 THR N N 113.71 0.1 1 107 23 23 THR H H 7.45 0.01 1 108 23 23 THR HA H 4.10 0.01 1 109 23 23 THR HG2 H 1.31 0.01 1 110 23 23 THR C C 177.81 0.1 1 111 23 23 THR CA C 64.80 0.1 1 112 23 23 THR CG2 C 23.06 0.1 1 113 23 23 THR N N 117.66 0.1 1 114 24 24 LEU H H 8.42 0.01 1 115 24 24 LEU HA H 4.14 0.01 1 116 24 24 LEU HD1 H 0.72 0.01 2 117 24 24 LEU C C 177.09 0.1 1 118 24 24 LEU CA C 58.34 0.1 1 119 24 24 LEU CB C 41.50 0.1 1 120 24 24 LEU CD1 C 26.29 0.1 2 121 24 24 LEU CD2 C 24.05 0.1 2 122 24 24 LEU N N 123.63 0.1 1 123 25 25 LEU H H 7.24 0.01 1 124 25 25 LEU HA H 3.77 0.01 1 125 25 25 LEU HB2 H 1.98 0.01 2 126 25 25 LEU HB3 H 1.62 0.01 2 127 25 25 LEU HG H 1.46 0.01 1 128 25 25 LEU HD1 H 1.02 0.01 2 129 25 25 LEU HD2 H 0.88 0.01 2 130 25 25 LEU C C 179.27 0.1 1 131 25 25 LEU CA C 58.15 0.1 1 132 25 25 LEU CB C 41.46 0.1 1 133 25 25 LEU CG C 27.07 0.1 1 134 25 25 LEU CD1 C 25.62 0.1 2 135 25 25 LEU CD2 C 23.66 0.1 2 136 25 25 LEU N N 120.27 0.1 1 137 26 26 ASP H H 8.16 0.01 1 138 26 26 ASP HA H 4.22 0.01 1 139 26 26 ASP HB2 H 2.71 0.01 2 140 26 26 ASP HB3 H 2.56 0.01 2 141 26 26 ASP C C 177.50 0.1 1 142 26 26 ASP CA C 57.13 0.1 1 143 26 26 ASP CB C 40.62 0.1 1 144 26 26 ASP N N 119.69 0.1 1 145 27 27 ALA H H 8.13 0.01 1 146 27 27 ALA HA H 4.16 0.01 1 147 27 27 ALA HB H 1.58 0.01 1 148 27 27 ALA C C 180.48 0.1 1 149 27 27 ALA CA C 54.88 0.1 1 150 27 27 ALA CB C 18.68 0.1 1 151 27 27 ALA N N 123.53 0.1 1 152 28 28 ILE H H 7.85 0.01 1 153 28 28 ILE HA H 3.39 0.01 1 154 28 28 ILE HB H 1.68 0.01 1 155 28 28 ILE HG12 H 1.75 0.01 2 156 28 28 ILE HG13 H 0.65 0.01 2 157 28 28 ILE HG2 H 0.41 0.01 1 158 28 28 ILE HD1 H 0.38 0.01 1 159 28 28 ILE CA C 65.41 0.1 1 160 28 28 ILE CB C 37.76 0.1 1 161 28 28 ILE CG1 C 30.14 0.1 1 162 28 28 ILE CG2 C 17.71 0.1 1 163 28 28 ILE CD1 C 13.44 0.1 1 164 28 28 ILE N N 119.77 0.1 1 165 29 29 ARG HA H 3.48 0.01 1 166 29 29 ARG HB2 H 1.34 0.01 2 167 29 29 ARG HG2 H 0.98 0.01 2 168 29 29 ARG HD2 H 2.60 0.01 2 169 29 29 ARG C C 177.46 0.1 1 170 29 29 ARG CA C 58.72 0.1 1 171 29 29 ARG CB C 29.85 0.1 1 172 29 29 ARG CG C 26.58 0.1 1 173 29 29 ARG CD C 43.33 0.1 1 174 30 30 HIS H H 7.93 0.01 1 175 30 30 HIS HA H 4.58 0.01 1 176 30 30 HIS HB2 H 3.31 0.01 2 177 30 30 HIS HB3 H 3.11 0.01 2 178 30 30 HIS HD2 H 7.13 0.01 1 179 30 30 HIS C C 176.26 0.1 1 180 30 30 HIS CA C 57.20 0.1 1 181 30 30 HIS CB C 29.64 0.1 1 182 30 30 HIS CD2 C 119.94 0.1 1 183 30 30 HIS N N 115.75 0.1 1 184 31 31 SER H H 7.76 0.01 1 185 31 31 SER HA H 4.53 0.01 1 186 31 31 SER HB2 H 3.99 0.01 2 187 31 31 SER C C 174.74 0.1 1 188 31 31 SER CA C 59.78 0.1 1 189 31 31 SER CB C 64.31 0.1 1 190 31 31 SER N N 114.53 0.1 1 191 32 32 LYS H H 7.92 0.01 1 192 32 32 LYS HA H 4.69 0.01 1 193 32 32 LYS HB2 H 2.00 0.01 2 194 32 32 LYS HB3 H 1.88 0.01 2 195 32 32 LYS HG2 H 1.52 0.01 2 196 32 32 LYS HG3 H 1.32 0.01 2 197 32 32 LYS HD2 H 1.75 0.01 2 198 32 32 LYS HE2 H 3.01 0.01 2 199 32 32 LYS HE3 H 2.87 0.01 2 200 32 32 LYS C C 176.36 0.1 1 201 32 32 LYS CA C 54.70 0.1 1 202 32 32 LYS CB C 33.23 0.1 1 203 32 32 LYS CG C 24.41 0.1 1 204 32 32 LYS CD C 28.21 0.1 1 205 32 32 LYS CE C 42.01 0.1 1 206 32 32 LYS N N 120.56 0.1 1 207 33 33 VAL H H 7.98 0.01 1 208 33 33 VAL HA H 4.26 0.01 1 209 33 33 VAL HB H 2.26 0.01 1 210 33 33 VAL HG1 H 1.03 0.01 2 211 33 33 VAL C C 176.27 0.1 1 212 33 33 VAL CA C 63.03 0.1 1 213 33 33 VAL CB C 32.09 0.1 1 214 33 33 VAL CG1 C 21.53 0.1 2 215 33 33 VAL N N 121.58 0.1 1 216 34 34 THR H H 8.22 0.01 1 217 34 34 THR HA H 4.67 0.01 1 218 34 34 THR HB H 4.28 0.01 1 219 34 34 THR HG2 H 1.24 0.01 1 220 34 34 THR C C 174.66 0.1 1 221 34 34 THR CA C 61.62 0.1 1 222 34 34 THR CB C 70.28 0.1 1 223 34 34 THR CG2 C 22.03 0.1 1 224 34 34 THR N N 119.72 0.1 1 225 35 35 GLU H H 8.51 0.01 1 226 35 35 GLU HA H 4.46 0.01 1 227 35 35 GLU HB2 H 2.12 0.01 2 228 35 35 GLU HB3 H 2.00 0.01 2 229 35 35 GLU HG2 H 2.29 0.01 2 230 35 35 GLU C C 176.37 0.1 1 231 35 35 GLU CA C 56.44 0.1 1 232 35 35 GLU CB C 30.81 0.1 1 233 35 35 GLU CG C 36.32 0.1 1 234 35 35 GLU N N 124.14 0.1 1 235 36 36 GLN H H 8.45 0.01 1 236 36 36 GLN HA H 4.42 0.01 1 237 36 36 GLN HB2 H 2.16 0.01 2 238 36 36 GLN HB3 H 2.05 0.01 2 239 36 36 GLN HG2 H 2.41 0.01 2 240 36 36 GLN C C 176.02 0.1 1 241 36 36 GLN CA C 56.41 0.1 1 242 36 36 GLN CB C 29.55 0.1 1 243 36 36 GLN CG C 33.88 0.1 1 244 36 36 GLN N N 122.22 0.1 1 245 37 37 GLU H H 8.36 0.01 1 246 37 37 GLU HA H 4.32 0.01 1 247 37 37 GLU HB2 H 2.10 0.01 2 248 37 37 GLU HB3 H 2.02 0.01 2 249 37 37 GLU HG2 H 2.31 0.01 2 250 37 37 GLU HG3 H 1.95 0.01 2 251 37 37 GLU C C 176.37 0.1 1 252 37 37 GLU CA C 56.61 0.1 1 253 37 37 GLU CB C 30.32 0.1 1 254 37 37 GLU CG C 36.30 0.1 1 255 37 37 GLU N N 123.42 0.1 1 256 38 38 ALA H H 8.36 0.01 1 257 38 38 ALA HA H 4.37 0.01 1 258 38 38 ALA HB H 1.45 0.01 1 259 38 38 ALA C C 178.19 0.1 1 260 38 38 ALA CA C 52.69 0.1 1 261 38 38 ALA CB C 19.28 0.1 1 262 38 38 ALA N N 126.46 0.1 1 263 39 39 GLY H H 8.35 0.01 1 264 39 39 GLY HA2 H 3.97 0.01 2 265 39 39 GLY C C 174.76 0.1 1 266 39 39 GLY CA C 45.53 0.1 1 267 39 39 GLY N N 109.04 0.1 1 268 40 40 GLY H H 8.21 0.01 1 269 40 40 GLY HA2 H 4.00 0.01 2 270 40 40 GLY C C 174.39 0.1 1 271 40 40 GLY CA C 45.42 0.1 1 272 40 40 GLY N N 109.58 0.1 1 273 41 41 ILE H H 8.01 0.01 1 274 41 41 ILE HA H 4.29 0.01 1 275 41 41 ILE HB H 1.95 0.01 1 276 41 41 ILE HG12 H 1.49 0.01 2 277 41 41 ILE HG13 H 1.19 0.01 2 278 41 41 ILE HG2 H 0.91 0.01 1 279 41 41 ILE HD1 H 0.87 0.01 1 280 41 41 ILE C C 176.56 0.1 1 281 41 41 ILE CA C 61.46 0.1 1 282 41 41 ILE CB C 38.80 0.1 1 283 41 41 ILE CG1 C 27.32 0.1 1 284 41 41 ILE CG2 C 17.62 0.1 1 285 41 41 ILE CD1 C 13.15 0.1 1 286 41 41 ILE N N 120.73 0.1 1 287 42 42 THR H H 8.12 0.01 1 288 42 42 THR HA H 4.35 0.01 1 289 42 42 THR HB H 4.22 0.01 1 290 42 42 THR HG2 H 1.20 0.01 1 291 42 42 THR C C 174.32 0.1 1 292 42 42 THR CA C 61.94 0.1 1 293 42 42 THR CB C 69.71 0.1 1 294 42 42 THR CG2 C 21.59 0.1 1 295 42 42 THR N N 117.82 0.1 1 296 43 43 GLN H H 8.21 0.01 1 297 43 43 GLN N N 123.08 0.1 1 298 45 45 ILE HA H 4.22 0.01 1 299 45 45 ILE HB H 1.87 0.01 1 300 45 45 ILE HG12 H 1.48 0.01 2 301 45 45 ILE HG13 H 1.21 0.01 2 302 45 45 ILE HG2 H 0.93 0.01 1 303 45 45 ILE HD1 H 0.88 0.01 1 304 45 45 ILE C C 176.31 0.1 1 305 45 45 ILE CA C 61.23 0.1 1 306 45 45 ILE CB C 38.88 0.1 1 307 45 45 ILE CG1 C 27.23 0.1 1 308 45 45 ILE CG2 C 17.61 0.1 1 309 45 45 ILE CD1 C 13.06 0.1 1 310 46 46 GLY H H 8.58 0.01 1 311 46 46 GLY HA2 H 3.97 0.01 2 312 46 46 GLY C C 172.94 0.1 1 313 46 46 GLY CA C 45.69 0.1 1 314 46 46 GLY N N 114.15 0.1 1 315 47 47 ALA H H 7.76 0.01 1 316 47 47 ALA HA H 5.02 0.01 1 317 47 47 ALA HB H 1.24 0.01 1 318 47 47 ALA C C 176.39 0.1 1 319 47 47 ALA CA C 51.42 0.1 1 320 47 47 ALA CB C 21.53 0.1 1 321 47 47 ALA N N 123.42 0.1 1 322 48 48 TYR H H 8.72 0.01 1 323 48 48 TYR HA H 5.00 0.01 1 324 48 48 TYR HB2 H 3.04 0.01 2 325 48 48 TYR HB3 H 2.99 0.01 2 326 48 48 TYR HD1 H 6.96 0.01 3 327 48 48 TYR HE1 H 6.58 0.01 3 328 48 48 TYR C C 173.55 0.1 1 329 48 48 TYR CA C 56.74 0.1 1 330 48 48 TYR CB C 40.67 0.1 1 331 48 48 TYR CD1 C 133.41 0.1 3 332 48 48 TYR CE1 C 118.66 0.1 3 333 48 48 TYR N N 118.79 0.1 1 334 49 49 GLN H H 8.89 0.01 1 335 49 49 GLN HA H 5.66 0.01 1 336 49 49 GLN HB2 H 1.91 0.01 2 337 49 49 GLN HG2 H 2.29 0.01 2 338 49 49 GLN C C 175.25 0.1 1 339 49 49 GLN CA C 54.44 0.1 1 340 49 49 GLN CB C 32.16 0.1 1 341 49 49 GLN CG C 34.62 0.1 1 342 49 49 GLN N N 122.13 0.1 1 343 50 50 VAL H H 9.06 0.01 1 344 50 50 VAL HA H 4.76 0.01 1 345 50 50 VAL HB H 2.14 0.01 1 346 50 50 VAL HG1 H 1.02 0.01 2 347 50 50 VAL C C 174.47 0.1 1 348 50 50 VAL CA C 59.93 0.1 1 349 50 50 VAL CB C 35.48 0.1 1 350 50 50 VAL CG1 C 21.56 0.1 2 351 50 50 VAL CG2 C 21.36 0.1 2 352 50 50 VAL N N 122.03 0.1 1 353 51 51 THR H H 8.58 0.01 1 354 51 51 THR HA H 5.12 0.01 1 355 51 51 THR HB H 4.01 0.01 1 356 51 51 THR HG2 H 1.12 0.01 1 357 51 51 THR C C 174.13 0.1 1 358 51 51 THR CA C 61.68 0.1 1 359 51 51 THR CB C 69.71 0.1 1 360 51 51 THR CG2 C 21.53 0.1 1 361 51 51 THR N N 121.38 0.1 1 362 52 52 VAL H H 9.04 0.01 1 363 52 52 VAL HA H 4.22 0.01 1 364 52 52 VAL HB H 1.96 0.01 1 365 52 52 VAL HG1 H 0.94 0.01 2 366 52 52 VAL HG2 H 0.90 0.01 2 367 52 52 VAL C C 174.86 0.1 1 368 52 52 VAL CA C 60.88 0.1 1 369 52 52 VAL CB C 33.89 0.1 1 370 52 52 VAL CG1 C 21.61 0.1 2 371 52 52 VAL CG2 C 20.66 0.1 2 372 52 52 VAL N N 128.59 0.1 1 373 53 53 ASN H H 9.16 0.01 1 374 53 53 ASN HA H 4.27 0.01 1 375 53 53 ASN HB2 H 3.03 0.01 2 376 53 53 ASN HB3 H 2.91 0.01 2 377 53 53 ASN C C 174.03 0.1 1 378 53 53 ASN CA C 54.85 0.1 1 379 53 53 ASN CB C 36.85 0.1 1 380 53 53 ASN N N 126.62 0.1 1 381 54 54 ASP H H 8.49 0.01 1 382 54 54 ASP HA H 4.28 0.01 1 383 54 54 ASP HB2 H 2.92 0.01 2 384 54 54 ASP C C 174.87 0.1 1 385 54 54 ASP CA C 55.60 0.1 1 386 54 54 ASP CB C 40.16 0.1 1 387 54 54 ASP N N 113.84 0.1 1 388 55 55 LYS H H 8.18 0.01 1 389 55 55 LYS N N 122.65 0.1 1 390 57 57 ILE HA H 4.10 0.01 1 391 57 57 ILE HG2 H 0.37 0.01 1 392 57 57 ILE HD1 H 0.85 0.01 1 393 57 57 ILE CA C 61.06 0.1 1 394 57 57 ILE CG2 C 19.74 0.1 1 395 57 57 ILE CD1 C 15.03 0.1 1 396 58 58 THR HA H 4.95 0.01 1 397 58 58 THR HB H 4.08 0.01 1 398 58 58 THR HG2 H 1.08 0.01 1 399 58 58 THR C C 172.47 0.1 1 400 58 58 THR CA C 62.15 0.1 1 401 58 58 THR CB C 69.82 0.1 1 402 58 58 THR CG2 C 22.09 0.1 1 403 59 59 PHE H H 9.33 0.01 1 404 59 59 PHE HA H 5.05 0.01 1 405 59 59 PHE C C 174.96 0.1 1 406 59 59 PHE CA C 56.73 0.1 1 407 59 59 PHE CB C 41.41 0.1 1 408 59 59 PHE N N 127.20 0.1 1 409 60 60 LEU H H 8.48 0.01 1 410 60 60 LEU N N 122.24 0.1 1 411 63 63 PRO HA H 4.52 0.01 1 412 63 63 PRO HB2 H 2.27 0.01 2 413 63 63 PRO HG2 H 2.03 0.01 2 414 63 63 PRO HD2 H 3.83 0.01 2 415 63 63 PRO C C 177.57 0.1 1 416 63 63 PRO CA C 63.40 0.1 1 417 63 63 PRO CB C 31.93 0.1 1 418 63 63 PRO CG C 27.27 0.1 1 419 63 63 PRO CD C 50.97 0.1 1 420 64 64 GLY H H 8.36 0.01 1 421 64 64 GLY N N 109.56 0.1 1 422 71 71 MET HE H 1.90 0.01 1 423 71 71 MET CE C 17.79 0.1 1 424 74 74 ARG HA H 4.34 0.01 1 425 74 74 ARG HB2 H 1.87 0.01 2 426 74 74 ARG HB3 H 1.97 0.01 2 427 74 74 ARG HG2 H 1.85 0.01 2 428 74 74 ARG HG3 H 1.94 0.01 2 429 74 74 ARG HD2 H 3.22 0.01 2 430 74 74 ARG C C 176.94 0.1 1 431 74 74 ARG CA C 56.54 0.1 1 432 74 74 ARG CB C 30.35 0.1 1 433 74 74 ARG CG C 27.34 0.1 1 434 74 74 ARG CD C 43.53 0.1 1 435 75 75 GLY H H 8.19 0.01 1 436 75 75 GLY N N 110.11 0.1 1 437 81 81 ILE HA H 4.28 0.01 1 438 81 81 ILE HB H 1.42 0.01 1 439 81 81 ILE HG2 H 0.74 0.01 1 440 81 81 ILE HD1 H 0.76 0.01 1 441 81 81 ILE C C 174.10 0.1 1 442 81 81 ILE CA C 60.38 0.1 1 443 81 81 ILE CB C 44.11 0.1 1 444 81 81 ILE CG1 C 27.70 0.1 1 445 81 81 ILE CG2 C 17.12 0.1 1 446 81 81 ILE CD1 C 15.01 0.1 1 447 82 82 VAL H H 8.44 0.01 1 448 82 82 VAL HA H 4.90 0.01 1 449 82 82 VAL HB H 1.83 0.01 1 450 82 82 VAL HG1 H 0.89 0.01 2 451 82 82 VAL HG2 H 0.77 0.01 2 452 82 82 VAL C C 175.05 0.1 1 453 82 82 VAL CA C 60.59 0.1 1 454 82 82 VAL CB C 34.72 0.1 1 455 82 82 VAL CG1 C 23.59 0.1 2 456 82 82 VAL CG2 C 20.23 0.1 2 457 82 82 VAL N N 127.48 0.1 1 458 83 83 ILE H H 8.51 0.01 1 459 83 83 ILE HA H 5.03 0.01 1 460 83 83 ILE HB H 1.90 0.01 1 461 83 83 ILE HG12 H 1.31 0.01 2 462 83 83 ILE HG13 H 1.15 0.01 2 463 83 83 ILE HG2 H 0.69 0.01 1 464 83 83 ILE HD1 H 0.78 0.01 1 465 83 83 ILE C C 174.27 0.1 1 466 83 83 ILE CA C 57.92 0.1 1 467 83 83 ILE CB C 37.98 0.1 1 468 83 83 ILE CG1 C 27.18 0.1 1 469 83 83 ILE CG2 C 17.92 0.1 1 470 83 83 ILE CD1 C 13.20 0.1 1 471 83 83 ILE N N 126.30 0.1 1 472 84 84 LEU H H 9.00 0.01 1 473 84 84 LEU HA H 4.71 0.01 1 474 84 84 LEU HB2 H 1.79 0.01 2 475 84 84 LEU HD1 H 0.69 0.01 2 476 84 84 LEU HD2 H 0.89 0.01 2 477 84 84 LEU C C 174.51 0.1 1 478 84 84 LEU CA C 52.33 0.1 1 479 84 84 LEU CB C 44.85 0.1 1 480 84 84 LEU CG C 27.21 0.1 1 481 84 84 LEU CD1 C 26.35 0.1 2 482 84 84 LEU CD2 C 24.31 0.1 2 483 84 84 LEU N N 131.45 0.1 1 484 85 85 VAL H H 8.98 0.01 1 485 85 85 VAL HA H 5.15 0.01 1 486 85 85 VAL HB H 1.92 0.01 1 487 85 85 VAL HG1 H 0.95 0.01 2 488 85 85 VAL HG2 H 0.78 0.01 2 489 85 85 VAL C C 175.34 0.1 1 490 85 85 VAL CA C 61.33 0.1 1 491 85 85 VAL CB C 32.48 0.1 1 492 85 85 VAL CG1 C 24.18 0.1 2 493 85 85 VAL CG2 C 21.22 0.1 2 494 85 85 VAL N N 128.91 0.1 1 495 86 86 VAL H H 8.79 0.01 1 496 86 86 VAL HA H 4.83 0.01 1 497 86 86 VAL HB H 2.56 0.01 1 498 86 86 VAL HG1 H 0.96 0.01 2 499 86 86 VAL HG2 H 0.66 0.01 2 500 86 86 VAL C C 172.76 0.1 1 501 86 86 VAL CA C 59.53 0.1 1 502 86 86 VAL CB C 33.80 0.1 1 503 86 86 VAL CG1 C 22.43 0.1 2 504 86 86 VAL CG2 C 20.02 0.1 2 505 86 86 VAL N N 122.65 0.1 1 506 87 87 ALA H H 8.30 0.01 1 507 87 87 ALA HA H 4.84 0.01 1 508 87 87 ALA HB H 1.39 0.01 1 509 87 87 ALA C C 178.32 0.1 1 510 87 87 ALA CA C 50.31 0.1 1 511 87 87 ALA CB C 22.93 0.1 1 512 87 87 ALA N N 122.75 0.1 1 513 88 88 ALA H H 8.70 0.01 1 514 88 88 ALA HA H 3.91 0.01 1 515 88 88 ALA HB H 1.37 0.01 1 516 88 88 ALA C C 176.81 0.1 1 517 88 88 ALA CA C 53.60 0.1 1 518 88 88 ALA CB C 19.93 0.1 1 519 88 88 ALA N N 120.27 0.1 1 520 89 89 ASP H H 8.35 0.01 1 521 89 89 ASP HA H 4.80 0.01 1 522 89 89 ASP HB2 H 3.06 0.01 2 523 89 89 ASP HB3 H 1.95 0.01 2 524 89 89 ASP C C 174.18 0.1 1 525 89 89 ASP CA C 52.09 0.1 1 526 89 89 ASP CB C 40.67 0.1 1 527 89 89 ASP N N 117.10 0.1 1 528 90 90 ASP H H 7.47 0.01 1 529 90 90 ASP HA H 5.07 0.01 1 530 90 90 ASP HB2 H 2.81 0.01 2 531 90 90 ASP HB3 H 2.48 0.01 2 532 90 90 ASP C C 175.64 0.1 1 533 90 90 ASP CA C 52.40 0.1 1 534 90 90 ASP CB C 45.05 0.1 1 535 90 90 ASP N N 120.08 0.1 1 536 91 91 GLY H H 8.12 0.01 1 537 91 91 GLY HA2 H 4.35 0.01 2 538 91 91 GLY HA3 H 3.92 0.01 2 539 91 91 GLY C C 174.31 0.1 1 540 91 91 GLY CA C 43.45 0.1 1 541 91 91 GLY N N 107.94 0.1 1 542 92 92 VAL H H 8.73 0.01 1 543 92 92 VAL HA H 3.77 0.01 1 544 92 92 VAL HB H 2.20 0.01 1 545 92 92 VAL HG1 H 1.06 0.01 2 546 92 92 VAL HG2 H 0.87 0.01 2 547 92 92 VAL C C 176.10 0.1 1 548 92 92 VAL CA C 64.23 0.1 1 549 92 92 VAL CB C 32.09 0.1 1 550 92 92 VAL CG1 C 23.34 0.1 2 551 92 92 VAL CG2 C 22.33 0.1 2 552 92 92 VAL N N 120.12 0.1 1 553 93 93 MET H H 7.47 0.01 1 554 93 93 MET HA H 5.34 0.01 1 555 93 93 MET HB2 H 2.19 0.01 2 556 93 93 MET HE H 2.03 0.01 1 557 93 93 MET CA C 52.51 0.1 1 558 93 93 MET CB C 33.18 0.1 1 559 93 93 MET CE C 18.00 0.1 1 560 93 93 MET N N 125.86 0.1 1 561 94 94 PRO HA H 4.29 0.01 1 562 94 94 PRO HB2 H 2.13 0.01 2 563 94 94 PRO HB3 H 2.08 0.01 2 564 94 94 PRO HG2 H 1.49 0.01 2 565 94 94 PRO HD2 H 4.05 0.01 2 566 94 94 PRO HD3 H 3.93 0.01 2 567 94 94 PRO C C 179.76 0.1 1 568 94 94 PRO CA C 66.73 0.1 1 569 94 94 PRO CB C 31.58 0.1 1 570 94 94 PRO CG C 28.08 0.1 1 571 94 94 PRO CD C 50.25 0.1 1 572 95 95 GLN H H 9.54 0.01 1 573 95 95 GLN HA H 4.12 0.01 1 574 95 95 GLN HB2 H 2.02 0.01 2 575 95 95 GLN HB3 H 2.63 0.01 2 576 95 95 GLN HG2 H 2.77 0.01 2 577 95 95 GLN HG3 H 2.64 0.01 2 578 95 95 GLN C C 179.02 0.1 1 579 95 95 GLN CA C 59.51 0.1 1 580 95 95 GLN CB C 28.12 0.1 1 581 95 95 GLN CG C 34.97 0.1 1 582 95 95 GLN N N 116.78 0.1 1 583 96 96 THR H H 7.83 0.01 1 584 96 96 THR HA H 3.76 0.01 1 585 96 96 THR HB H 4.65 0.01 1 586 96 96 THR HG2 H 1.35 0.01 1 587 96 96 THR C C 175.51 0.1 1 588 96 96 THR CA C 66.90 0.1 1 589 96 96 THR CB C 68.36 0.1 1 590 96 96 THR CG2 C 23.88 0.1 1 591 96 96 THR N N 119.15 0.1 1 592 97 97 VAL H H 7.34 0.01 1 593 97 97 VAL HA H 3.08 0.01 1 594 97 97 VAL HB H 2.12 0.01 1 595 97 97 VAL HG1 H 0.62 0.01 2 596 97 97 VAL HG2 H 0.86 0.01 2 597 97 97 VAL C C 177.39 0.1 1 598 97 97 VAL CA C 66.65 0.1 1 599 97 97 VAL CB C 31.65 0.1 1 600 97 97 VAL CG1 C 22.19 0.1 2 601 97 97 VAL CG2 C 21.05 0.1 2 602 97 97 VAL N N 122.12 0.1 1 603 98 98 GLU H H 8.04 0.01 1 604 98 98 GLU HA H 3.97 0.01 1 605 98 98 GLU HB2 H 1.95 0.01 2 606 98 98 GLU HB3 H 2.13 0.01 2 607 98 98 GLU HG2 H 2.31 0.01 2 608 98 98 GLU HG3 H 2.17 0.01 2 609 98 98 GLU C C 178.46 0.1 1 610 98 98 GLU CA C 59.30 0.1 1 611 98 98 GLU CB C 29.87 0.1 1 612 98 98 GLU CG C 36.34 0.1 1 613 98 98 GLU N N 119.54 0.1 1 614 99 99 ALA H H 7.22 0.01 1 615 99 99 ALA HA H 4.08 0.01 1 616 99 99 ALA HB H 1.54 0.01 1 617 99 99 ALA C C 178.68 0.1 1 618 99 99 ALA CA C 55.29 0.1 1 619 99 99 ALA CB C 18.98 0.1 1 620 99 99 ALA N N 121.35 0.1 1 621 100 100 ILE H H 7.82 0.01 1 622 100 100 ILE HA H 3.36 0.01 1 623 100 100 ILE HB H 1.91 0.01 1 624 100 100 ILE HG2 H 0.92 0.01 1 625 100 100 ILE HD1 H 0.48 0.01 1 626 100 100 ILE C C 177.61 0.1 1 627 100 100 ILE CA C 66.14 0.1 1 628 100 100 ILE CB C 38.17 0.1 1 629 100 100 ILE CG2 C 17.31 0.1 1 630 100 100 ILE CD1 C 13.65 0.1 1 631 100 100 ILE N N 118.92 0.1 1 632 101 101 ASN H H 8.39 0.01 1 633 101 101 ASN HA H 4.47 0.01 1 634 101 101 ASN HB2 H 2.88 0.01 2 635 101 101 ASN HB3 H 2.76 0.01 2 636 101 101 ASN C C 179.07 0.1 1 637 101 101 ASN CA C 55.91 0.1 1 638 101 101 ASN CB C 37.35 0.1 1 639 101 101 ASN N N 118.03 0.1 1 640 102 102 HIS H H 8.27 0.01 1 641 102 102 HIS HA H 4.45 0.01 1 642 102 102 HIS HB2 H 3.15 0.01 2 643 102 102 HIS HB3 H 3.01 0.01 2 644 102 102 HIS C C 177.80 0.1 1 645 102 102 HIS CA C 59.20 0.1 1 646 102 102 HIS CB C 30.14 0.1 1 647 102 102 HIS N N 121.56 0.1 1 648 103 103 ALA H H 8.37 0.01 1 649 103 103 ALA HA H 3.94 0.01 1 650 103 103 ALA HB H 1.45 0.01 1 651 103 103 ALA C C 179.88 0.1 1 652 103 103 ALA CA C 55.42 0.1 1 653 103 103 ALA CB C 17.95 0.1 1 654 103 103 ALA N N 123.58 0.1 1 655 104 104 LYS H H 8.82 0.01 1 656 104 104 LYS HA H 4.24 0.01 1 657 104 104 LYS HB2 H 2.06 0.01 2 658 104 104 LYS HB3 H 1.90 0.01 2 659 104 104 LYS HG2 H 1.56 0.01 2 660 104 104 LYS HD2 H 1.78 0.01 2 661 104 104 LYS HE2 H 3.02 0.01 2 662 104 104 LYS HE3 H 2.91 0.01 2 663 104 104 LYS C C 180.84 0.1 1 664 104 104 LYS CA C 59.11 0.1 1 665 104 104 LYS CB C 32.45 0.1 1 666 104 104 LYS CG C 25.84 0.1 1 667 104 104 LYS CD C 29.38 0.1 1 668 104 104 LYS CE C 42.08 0.1 1 669 104 104 LYS N N 118.03 0.1 1 670 105 105 ALA H H 7.89 0.01 1 671 105 105 ALA HA H 4.20 0.01 1 672 105 105 ALA HB H 1.56 0.01 1 673 105 105 ALA C C 178.65 0.1 1 674 105 105 ALA CA C 54.49 0.1 1 675 105 105 ALA CB C 17.92 0.1 1 676 105 105 ALA N N 122.78 0.1 1 677 106 106 ALA H H 7.37 0.01 1 678 106 106 ALA HA H 4.38 0.01 1 679 106 106 ALA HB H 1.48 0.01 1 680 106 106 ALA C C 176.34 0.1 1 681 106 106 ALA CA C 51.86 0.1 1 682 106 106 ALA CB C 19.51 0.1 1 683 106 106 ALA N N 119.13 0.1 1 684 107 107 ASN H H 7.96 0.01 1 685 107 107 ASN HA H 4.40 0.01 1 686 107 107 ASN HB2 H 3.27 0.01 2 687 107 107 ASN HB3 H 2.74 0.01 2 688 107 107 ASN C C 173.94 0.1 1 689 107 107 ASN CA C 54.06 0.1 1 690 107 107 ASN CB C 37.30 0.1 1 691 107 107 ASN N N 116.85 0.1 1 692 108 108 VAL H H 7.59 0.01 1 693 108 108 VAL HA H 4.69 0.01 1 694 108 108 VAL HB H 2.08 0.01 1 695 108 108 VAL HG1 H 0.93 0.01 2 696 108 108 VAL HG2 H 0.83 0.01 2 697 108 108 VAL CA C 58.38 0.1 1 698 108 108 VAL CB C 32.69 0.1 1 699 108 108 VAL CG1 C 22.05 0.1 2 700 108 108 VAL CG2 C 20.20 0.1 2 701 108 108 VAL N N 116.37 0.1 1 702 109 109 PRO HA H 4.38 0.01 1 703 109 109 PRO HB2 H 2.31 0.01 2 704 109 109 PRO HG2 H 1.93 0.01 2 705 109 109 PRO HD2 H 3.84 0.01 2 706 109 109 PRO C C 174.53 0.1 1 707 109 109 PRO CA C 63.03 0.1 1 708 109 109 PRO CB C 32.83 0.1 1 709 109 109 PRO CG C 27.75 0.1 1 710 109 109 PRO CD C 50.56 0.1 1 711 110 110 ILE H H 7.60 0.01 1 712 110 110 ILE HA H 4.97 0.01 1 713 110 110 ILE HB H 1.51 0.01 1 714 110 110 ILE HG2 H 0.62 0.01 1 715 110 110 ILE HD1 H 0.91 0.01 1 716 110 110 ILE C C 176.27 0.1 1 717 110 110 ILE CA C 59.45 0.1 1 718 110 110 ILE CB C 42.24 0.1 1 719 110 110 ILE CG1 C 27.93 0.1 1 720 110 110 ILE CG2 C 18.37 0.1 1 721 110 110 ILE CD1 C 15.28 0.1 1 722 110 110 ILE N N 120.60 0.1 1 723 111 111 ILE H H 8.69 0.01 1 724 111 111 ILE HA H 4.28 0.01 1 725 111 111 ILE HB H 1.47 0.01 1 726 111 111 ILE HG12 H 0.90 0.01 1 727 111 111 ILE HG13 H 0.90 0.01 1 728 111 111 ILE HG2 H 0.62 0.01 1 729 111 111 ILE HD1 H 0.64 0.01 1 730 111 111 ILE C C 175.01 0.1 1 731 111 111 ILE CA C 60.09 0.1 1 732 111 111 ILE CB C 41.40 0.1 1 733 111 111 ILE CG1 C 27.51 0.1 1 734 111 111 ILE CG2 C 16.58 0.1 1 735 111 111 ILE CD1 C 14.73 0.1 1 736 111 111 ILE N N 128.08 0.1 1 737 112 112 VAL H H 8.45 0.01 1 738 112 112 VAL HA H 4.41 0.01 1 739 112 112 VAL HB H 0.67 0.01 1 740 112 112 VAL HG1 H 0.26 0.01 2 741 112 112 VAL HG2 H 0.47 0.01 2 742 112 112 VAL C C 173.74 0.1 1 743 112 112 VAL CA C 61.56 0.1 1 744 112 112 VAL CB C 31.88 0.1 1 745 112 112 VAL CG1 C 22.21 0.1 2 746 112 112 VAL CG2 C 22.03 0.1 2 747 112 112 VAL N N 128.30 0.1 1 748 113 113 ALA H H 9.13 0.01 1 749 113 113 ALA HA H 5.02 0.01 1 750 113 113 ALA HB H 1.05 0.01 1 751 113 113 ALA C C 174.46 0.1 1 752 113 113 ALA CA C 49.03 0.1 1 753 113 113 ALA CB C 20.53 0.1 1 754 113 113 ALA N N 132.44 0.1 1 755 114 114 ILE H H 9.00 0.01 1 756 114 114 ILE HA H 4.82 0.01 1 757 114 114 ILE HB H 2.03 0.01 1 758 114 114 ILE HG2 H 0.89 0.01 1 759 114 114 ILE HD1 H 0.98 0.01 1 760 114 114 ILE C C 173.58 0.1 1 761 114 114 ILE CA C 60.60 0.1 1 762 114 114 ILE CB C 37.16 0.1 1 763 114 114 ILE CG1 C 26.50 0.1 1 764 114 114 ILE CG2 C 18.41 0.1 1 765 114 114 ILE CD1 C 14.76 0.1 1 766 114 114 ILE N N 124.06 0.1 1 767 115 115 ASN H H 8.99 0.01 1 768 115 115 ASN HA H 5.38 0.01 1 769 115 115 ASN HB2 H 3.08 0.01 2 770 115 115 ASN HB3 H 2.59 0.01 2 771 115 115 ASN CA C 51.00 0.1 1 772 115 115 ASN CB C 41.10 0.1 1 773 115 115 ASN N N 124.61 0.1 1 774 116 116 LYS HA H 4.39 0.01 1 775 116 116 LYS C C 176.82 0.1 1 776 116 116 LYS CA C 57.91 0.1 1 777 116 116 LYS CE C 42.08 0.1 1 778 117 117 MET H H 7.78 0.01 1 779 117 117 MET HA H 4.30 0.01 1 780 117 117 MET HB2 H 1.70 0.01 2 781 117 117 MET HG2 H 2.62 0.01 2 782 117 117 MET HG3 H 1.64 0.01 2 783 117 117 MET HE H 2.04 0.01 1 784 117 117 MET C C 175.87 0.1 1 785 117 117 MET CA C 54.89 0.1 1 786 117 117 MET CB C 29.72 0.1 1 787 117 117 MET CG C 32.64 0.1 1 788 117 117 MET CE C 14.86 0.1 1 789 117 117 MET N N 114.62 0.1 1 790 118 118 ASP H H 9.00 0.01 1 791 118 118 ASP HA H 4.47 0.01 1 792 118 118 ASP HB2 H 2.72 0.01 2 793 118 118 ASP HB3 H 2.65 0.01 2 794 118 118 ASP C C 176.22 0.1 1 795 118 118 ASP CA C 53.58 0.1 1 796 118 118 ASP CB C 41.19 0.1 1 797 118 118 ASP N N 114.92 0.1 1 798 119 119 LYS H H 7.35 0.01 1 799 119 119 LYS HA H 4.50 0.01 1 800 119 119 LYS HB2 H 2.06 0.01 2 801 119 119 LYS HB3 H 1.77 0.01 2 802 119 119 LYS HG2 H 1.51 0.01 2 803 119 119 LYS HD2 H 1.73 0.01 2 804 119 119 LYS HE2 H 3.10 0.01 2 805 119 119 LYS CA C 54.49 0.1 1 806 119 119 LYS CB C 31.23 0.1 1 807 119 119 LYS CG C 25.36 0.1 1 808 119 119 LYS CD C 29.00 0.1 1 809 119 119 LYS CE C 41.75 0.1 1 810 119 119 LYS N N 122.35 0.1 1 811 120 120 PRO HA H 4.38 0.01 1 812 120 120 PRO HB2 H 2.45 0.01 2 813 120 120 PRO HB3 H 1.97 0.01 2 814 120 120 PRO HG2 H 2.20 0.01 2 815 120 120 PRO HG3 H 2.12 0.01 2 816 120 120 PRO HD2 H 4.00 0.01 2 817 120 120 PRO HD3 H 3.91 0.01 2 818 120 120 PRO C C 177.91 0.1 1 819 120 120 PRO CA C 65.03 0.1 1 820 120 120 PRO CB C 31.85 0.1 1 821 120 120 PRO CG C 27.57 0.1 1 822 120 120 PRO CD C 50.70 0.1 1 823 121 121 GLU H H 8.79 0.01 1 824 121 121 GLU HA H 4.34 0.01 1 825 121 121 GLU HB2 H 2.07 0.01 2 826 121 121 GLU HG2 H 2.28 0.01 2 827 121 121 GLU HG3 H 2.30 0.01 2 828 121 121 GLU C C 176.02 0.1 1 829 121 121 GLU CA C 56.34 0.1 1 830 121 121 GLU CB C 28.44 0.1 1 831 121 121 GLU CG C 36.41 0.1 1 832 121 121 GLU N N 115.52 0.1 1 833 122 122 ALA H H 7.68 0.01 1 834 122 122 ALA HA H 3.52 0.01 1 835 122 122 ALA HB H 1.55 0.01 1 836 122 122 ALA C C 177.26 0.1 1 837 122 122 ALA CA C 54.06 0.1 1 838 122 122 ALA CB C 19.45 0.1 1 839 122 122 ALA N N 123.76 0.1 1 840 123 123 ASN H H 8.27 0.01 1 841 123 123 ASN HA H 5.20 0.01 1 842 123 123 ASN HB2 H 2.79 0.01 2 843 123 123 ASN HB3 H 3.18 0.01 2 844 123 123 ASN CA C 50.46 0.1 1 845 123 123 ASN CB C 38.34 0.1 1 846 123 123 ASN N N 119.33 0.1 1 847 124 124 PRO HA H 4.29 0.01 1 848 124 124 PRO HB2 H 2.27 0.01 2 849 124 124 PRO HB3 H 1.97 0.01 2 850 124 124 PRO HG2 H 2.03 0.01 2 851 124 124 PRO HD2 H 3.39 0.01 2 852 124 124 PRO HD3 H 4.24 0.01 2 853 124 124 PRO C C 175.51 0.1 1 854 124 124 PRO CA C 65.02 0.1 1 855 124 124 PRO CB C 32.08 0.1 1 856 124 124 PRO CG C 27.30 0.1 1 857 124 124 PRO CD C 50.23 0.1 1 858 125 125 ASP H H 8.09 0.01 1 859 125 125 ASP HA H 4.51 0.01 1 860 125 125 ASP HB2 H 2.78 0.01 2 861 125 125 ASP C C 178.03 0.1 1 862 125 125 ASP CA C 57.86 0.1 1 863 125 125 ASP CB C 40.67 0.1 1 864 125 125 ASP N N 118.19 0.1 1 865 126 126 ARG H H 7.34 0.01 1 866 126 126 ARG HA H 4.20 0.01 1 867 126 126 ARG HB2 H 2.22 0.01 2 868 126 126 ARG HB3 H 1.97 0.01 2 869 126 126 ARG HG2 H 1.53 0.01 2 870 126 126 ARG HD2 H 3.23 0.01 2 871 126 126 ARG HD3 H 3.05 0.01 2 872 126 126 ARG C C 178.64 0.1 1 873 126 126 ARG CA C 59.50 0.1 1 874 126 126 ARG CB C 29.03 0.1 1 875 126 126 ARG CG C 26.72 0.1 1 876 126 126 ARG CD C 43.55 0.1 1 877 126 126 ARG N N 120.29 0.1 1 878 127 127 VAL H H 7.94 0.01 1 879 127 127 VAL HA H 4.08 0.01 1 880 127 127 VAL HB H 2.62 0.01 1 881 127 127 VAL HG1 H 1.14 0.01 2 882 127 127 VAL HG2 H 1.07 0.01 2 883 127 127 VAL C C 177.09 0.1 1 884 127 127 VAL CA C 65.45 0.1 1 885 127 127 VAL CB C 30.77 0.1 1 886 127 127 VAL CG1 C 22.89 0.1 2 887 127 127 VAL CG2 C 20.49 0.1 2 888 127 127 VAL N N 120.52 0.1 1 889 128 128 MET H H 8.12 0.01 1 890 128 128 MET HA H 3.85 0.01 1 891 128 128 MET HB2 H 2.63 0.01 2 892 128 128 MET HB3 H 1.81 0.01 2 893 128 128 MET C C 177.38 0.1 1 894 128 128 MET CA C 60.87 0.1 1 895 128 128 MET CB C 33.16 0.1 1 896 128 128 MET CG C 34.02 0.1 1 897 128 128 MET N N 122.00 0.1 1 898 129 129 GLN H H 8.19 0.01 1 899 129 129 GLN HA H 4.33 0.01 1 900 129 129 GLN HB2 H 2.44 0.01 2 901 129 129 GLN HB3 H 2.08 0.01 2 902 129 129 GLN HG2 H 2.53 0.01 2 903 129 129 GLN HG3 H 2.78 0.01 2 904 129 129 GLN C C 179.72 0.1 1 905 129 129 GLN CA C 59.62 0.1 1 906 129 129 GLN CB C 28.21 0.1 1 907 129 129 GLN CG C 34.24 0.1 1 908 129 129 GLN N N 117.98 0.1 1 909 130 130 GLU H H 8.17 0.01 1 910 130 130 GLU HA H 4.24 0.01 1 911 130 130 GLU HB2 H 2.31 0.01 2 912 130 130 GLU HG2 H 2.83 0.01 2 913 130 130 GLU HG3 H 2.44 0.01 2 914 130 130 GLU C C 180.43 0.1 1 915 130 130 GLU CA C 60.05 0.1 1 916 130 130 GLU CB C 30.55 0.1 1 917 130 130 GLU CG C 37.30 0.1 1 918 130 130 GLU N N 120.66 0.1 1 919 131 131 LEU H H 8.55 0.01 1 920 131 131 LEU HA H 4.43 0.01 1 921 131 131 LEU HB2 H 1.91 0.01 2 922 131 131 LEU HB3 H 1.90 0.01 2 923 131 131 LEU HD1 H 1.02 0.01 2 924 131 131 LEU HD2 H 0.87 0.01 2 925 131 131 LEU C C 179.47 0.1 1 926 131 131 LEU CA C 57.71 0.1 1 927 131 131 LEU CB C 41.33 0.1 1 928 131 131 LEU CD1 C 28.25 0.1 2 929 131 131 LEU CD2 C 24.37 0.1 2 930 131 131 LEU N N 119.88 0.1 1 931 132 132 MET H H 8.03 0.01 1 932 132 132 MET HA H 4.05 0.01 1 933 132 132 MET HB2 H 3.27 0.01 2 934 132 132 MET HB3 H 2.79 0.01 2 935 132 132 MET HG2 H 2.48 0.01 2 936 132 132 MET HE H 2.27 0.01 1 937 132 132 MET C C 179.75 0.1 1 938 132 132 MET CA C 59.80 0.1 1 939 132 132 MET CB C 32.08 0.1 1 940 132 132 MET CG C 32.93 0.1 1 941 132 132 MET CE C 16.53 0.1 1 942 132 132 MET N N 122.07 0.1 1 943 133 133 GLU H H 7.54 0.01 1 944 133 133 GLU HA H 4.08 0.01 1 945 133 133 GLU HB2 H 2.01 0.01 2 946 133 133 GLU HB3 H 1.82 0.01 2 947 133 133 GLU HG2 H 2.29 0.01 2 948 133 133 GLU HG3 H 2.14 0.01 2 949 133 133 GLU C C 176.65 0.1 1 950 133 133 GLU CA C 58.06 0.1 1 951 133 133 GLU CB C 28.98 0.1 1 952 133 133 GLU CG C 35.99 0.1 1 953 133 133 GLU N N 119.88 0.1 1 954 134 134 TYR H H 7.53 0.01 1 955 134 134 TYR HA H 4.53 0.01 1 956 134 134 TYR HB2 H 3.53 0.01 2 957 134 134 TYR HB3 H 2.74 0.01 2 958 134 134 TYR HD1 H 7.27 0.01 3 959 134 134 TYR HE1 H 6.82 0.01 3 960 134 134 TYR C C 174.67 0.1 1 961 134 134 TYR CA C 57.71 0.1 1 962 134 134 TYR CB C 38.08 0.1 1 963 134 134 TYR CD1 C 132.97 0.1 3 964 134 134 TYR CE1 C 118.41 0.1 3 965 134 134 TYR N N 118.45 0.1 1 966 135 135 ASN H H 7.97 0.01 1 967 135 135 ASN HA H 4.30 0.01 1 968 135 135 ASN HB2 H 3.25 0.01 2 969 135 135 ASN HB3 H 2.90 0.01 2 970 135 135 ASN C C 174.05 0.1 1 971 135 135 ASN CA C 54.65 0.1 1 972 135 135 ASN CB C 36.88 0.1 1 973 135 135 ASN N N 113.97 0.1 1 974 136 136 LEU H H 7.29 0.01 1 975 136 136 LEU HA H 4.81 0.01 1 976 136 136 LEU HB2 H 1.91 0.01 2 977 136 136 LEU HB3 H 1.29 0.01 2 978 136 136 LEU HG H 1.67 0.01 1 979 136 136 LEU HD1 H 0.86 0.01 2 980 136 136 LEU HD2 H 0.84 0.01 2 981 136 136 LEU C C 173.50 0.1 1 982 136 136 LEU CA C 53.71 0.1 1 983 136 136 LEU CB C 41.41 0.1 1 984 136 136 LEU CG C 26.85 0.1 1 985 136 136 LEU CD1 C 24.33 0.1 2 986 136 136 LEU CD2 C 26.69 0.1 2 987 136 136 LEU N N 123.12 0.1 1 988 137 137 VAL H H 7.98 0.01 1 989 137 137 VAL HA H 4.48 0.01 1 990 137 137 VAL HB H 2.24 0.01 1 991 137 137 VAL HG1 H 1.09 0.01 2 992 137 137 VAL CA C 59.31 0.1 1 993 137 137 VAL CB C 33.66 0.1 1 994 137 137 VAL CG1 C 20.95 0.1 2 995 137 137 VAL N N 121.95 0.1 1 996 138 138 PRO HA H 4.68 0.01 1 997 138 138 PRO HB2 H 1.35 0.01 2 998 138 138 PRO HB3 H 1.07 0.01 2 999 138 138 PRO HG2 H 0.43 0.01 2 1000 138 138 PRO HG3 H 0.01 0.01 2 1001 138 138 PRO HD2 H 3.77 0.01 2 1002 138 138 PRO HD3 H 3.44 0.01 2 1003 138 138 PRO C C 179.90 0.1 1 1004 138 138 PRO CA C 62.64 0.1 1 1005 138 138 PRO CB C 31.95 0.1 1 1006 138 138 PRO CG C 25.91 0.1 1 1007 138 138 PRO CD C 50.98 0.1 1 1008 139 139 GLU H H 8.76 0.01 1 1009 139 139 GLU HA H 4.12 0.01 1 1010 139 139 GLU HB2 H 1.95 0.01 2 1011 139 139 GLU HG2 H 2.18 0.01 2 1012 139 139 GLU HG3 H 2.30 0.01 2 1013 139 139 GLU C C 180.17 0.1 1 1014 139 139 GLU CA C 59.09 0.1 1 1015 139 139 GLU CB C 29.89 0.1 1 1016 139 139 GLU CG C 36.03 0.1 1 1017 139 139 GLU N N 129.50 0.1 1 1018 140 140 GLU H H 9.98 0.01 1 1019 140 140 GLU HA H 4.29 0.01 1 1020 140 140 GLU HB2 H 2.11 0.01 2 1021 140 140 GLU HB3 H 1.83 0.01 2 1022 140 140 GLU HG2 H 2.13 0.01 2 1023 140 140 GLU HG3 H 1.88 0.01 2 1024 140 140 GLU C C 176.87 0.1 1 1025 140 140 GLU CA C 58.56 0.1 1 1026 140 140 GLU CB C 28.82 0.1 1 1027 140 140 GLU CG C 36.02 0.1 1 1028 140 140 GLU N N 119.89 0.1 1 1029 141 141 TRP H H 7.62 0.01 1 1030 141 141 TRP HA H 5.25 0.01 1 1031 141 141 TRP HB2 H 3.66 0.01 2 1032 141 141 TRP HB3 H 2.95 0.01 2 1033 141 141 TRP HD1 H 6.92 0.01 1 1034 141 141 TRP HE1 H 10.11 0.01 1 1035 141 141 TRP HE3 H 7.68 0.01 1 1036 141 141 TRP HZ2 H 7.52 0.01 1 1037 141 141 TRP HZ3 H 6.87 0.01 1 1038 141 141 TRP HH2 H 7.28 0.01 1 1039 141 141 TRP C C 175.83 0.1 1 1040 141 141 TRP CA C 53.63 0.1 1 1041 141 141 TRP CB C 29.39 0.1 1 1042 141 141 TRP CD1 C 123.71 0.1 1 1043 141 141 TRP CE3 C 120.59 0.1 1 1044 141 141 TRP CZ2 C 114.75 0.1 1 1045 141 141 TRP CZ3 C 121.04 0.1 1 1046 141 141 TRP CH2 C 125.04 0.1 1 1047 141 141 TRP N N 120.69 0.1 1 1048 141 141 TRP NE1 N 129.10 0.1 1 1049 142 142 GLY H H 8.00 0.01 1 1050 142 142 GLY HA2 H 3.90 0.01 2 1051 142 142 GLY HA3 H 4.41 0.01 2 1052 142 142 GLY C C 174.98 0.1 1 1053 142 142 GLY CA C 45.48 0.1 1 1054 142 142 GLY N N 108.58 0.1 1 1055 143 143 GLY H H 7.99 0.01 1 1056 143 143 GLY HA2 H 3.58 0.01 2 1057 143 143 GLY HA3 H 4.47 0.01 2 1058 143 143 GLY C C 172.90 0.1 1 1059 143 143 GLY CA C 43.89 0.1 1 1060 143 143 GLY N N 110.02 0.1 1 1061 144 144 ASP H H 7.82 0.01 1 1062 144 144 ASP HA H 4.99 0.01 1 1063 144 144 ASP HB2 H 2.92 0.01 2 1064 144 144 ASP HB3 H 2.74 0.01 2 1065 144 144 ASP C C 176.66 0.1 1 1066 144 144 ASP CA C 53.08 0.1 1 1067 144 144 ASP CB C 42.27 0.1 1 1068 144 144 ASP N N 117.31 0.1 1 1069 145 145 THR H H 8.33 0.01 1 1070 145 145 THR HA H 4.69 0.01 1 1071 145 145 THR HB H 3.91 0.01 1 1072 145 145 THR HG2 H 1.08 0.01 1 1073 145 145 THR C C 173.38 0.1 1 1074 145 145 THR CA C 63.30 0.1 1 1075 145 145 THR CB C 70.52 0.1 1 1076 145 145 THR CG2 C 22.33 0.1 1 1077 145 145 THR N N 119.50 0.1 1 1078 146 146 ILE H H 9.73 0.01 1 1079 146 146 ILE HA H 4.09 0.01 1 1080 146 146 ILE HB H 1.84 0.01 1 1081 146 146 ILE HG12 H 1.56 0.01 2 1082 146 146 ILE HG2 H 0.82 0.01 1 1083 146 146 ILE HD1 H 0.86 0.01 1 1084 146 146 ILE C C 174.42 0.1 1 1085 146 146 ILE CA C 62.18 0.1 1 1086 146 146 ILE CB C 37.96 0.1 1 1087 146 146 ILE CG1 C 28.00 0.1 1 1088 146 146 ILE CG2 C 18.25 0.1 1 1089 146 146 ILE CD1 C 13.46 0.1 1 1090 146 146 ILE N N 132.85 0.1 1 1091 147 147 PHE H H 8.96 0.01 1 1092 147 147 PHE HA H 5.46 0.01 1 1093 147 147 PHE HB2 H 3.25 0.01 2 1094 147 147 PHE HB3 H 2.40 0.01 2 1095 147 147 PHE HD1 H 7.20 0.01 3 1096 147 147 PHE HE1 H 6.90 0.01 3 1097 147 147 PHE C C 176.62 0.1 1 1098 147 147 PHE CA C 55.39 0.1 1 1099 147 147 PHE CB C 41.66 0.1 1 1100 147 147 PHE CD1 C 131.34 0.1 3 1101 147 147 PHE CE1 C 131.05 0.1 3 1102 147 147 PHE N N 129.14 0.1 1 1103 148 148 CYS H H 9.49 0.01 1 1104 148 148 CYS HA H 4.89 0.01 1 1105 148 148 CYS HB2 H 3.47 0.01 2 1106 148 148 CYS HB3 H 2.56 0.01 2 1107 148 148 CYS C C 173.29 0.1 1 1108 148 148 CYS CA C 57.85 0.1 1 1109 148 148 CYS CB C 29.86 0.1 1 1110 148 148 CYS N N 122.55 0.1 1 1111 149 149 LYS H H 9.21 0.01 1 1112 149 149 LYS HA H 4.85 0.01 1 1113 149 149 LYS HB2 H 1.90 0.01 2 1114 149 149 LYS HG2 H 1.49 0.01 2 1115 149 149 LYS HD2 H 1.75 0.01 2 1116 149 149 LYS HE2 H 2.95 0.01 2 1117 149 149 LYS C C 175.87 0.1 1 1118 149 149 LYS CA C 56.35 0.1 1 1119 149 149 LYS CB C 32.92 0.1 1 1120 149 149 LYS CG C 26.22 0.1 1 1121 149 149 LYS CD C 29.62 0.1 1 1122 149 149 LYS CE C 41.63 0.1 1 1123 149 149 LYS N N 127.05 0.1 1 1124 150 150 LEU H H 9.37 0.01 1 1125 150 150 LEU HA H 4.89 0.01 1 1126 150 150 LEU HB2 H 1.85 0.01 2 1127 150 150 LEU HB3 H 1.72 0.01 2 1128 150 150 LEU HG H 1.54 0.01 1 1129 150 150 LEU HD1 H 0.74 0.01 2 1130 150 150 LEU HD2 H 0.75 0.01 2 1131 150 150 LEU C C 174.58 0.1 1 1132 150 150 LEU CA C 54.69 0.1 1 1133 150 150 LEU CB C 44.07 0.1 1 1134 150 150 LEU CG C 25.38 0.1 1 1135 150 150 LEU CD1 C 28.55 0.1 2 1136 150 150 LEU CD2 C 25.39 0.1 2 1137 150 150 LEU N N 125.58 0.1 1 1138 151 151 SER H H 8.20 0.01 1 1139 151 151 SER HA H 4.94 0.01 1 1140 151 151 SER HB2 H 4.13 0.01 2 1141 151 151 SER HB3 H 3.71 0.01 2 1142 151 151 SER C C 175.51 0.1 1 1143 151 151 SER CA C 56.58 0.1 1 1144 151 151 SER CB C 64.62 0.1 1 1145 151 151 SER N N 112.09 0.1 1 1146 152 152 ALA H H 9.05 0.01 1 1147 152 152 ALA HA H 3.93 0.01 1 1148 152 152 ALA HB H 1.39 0.01 1 1149 152 152 ALA C C 177.18 0.1 1 1150 152 152 ALA CA C 54.50 0.1 1 1151 152 152 ALA CB C 18.09 0.1 1 1152 152 152 ALA N N 131.78 0.1 1 1153 153 153 LYS H H 8.25 0.01 1 1154 153 153 LYS HA H 4.13 0.01 1 1155 153 153 LYS HB2 H 2.01 0.01 2 1156 153 153 LYS HB3 H 1.70 0.01 2 1157 153 153 LYS HG2 H 1.51 0.01 2 1158 153 153 LYS HG3 H 1.35 0.01 2 1159 153 153 LYS HD2 H 1.73 0.01 2 1160 153 153 LYS HE2 H 3.02 0.01 2 1161 153 153 LYS C C 178.07 0.1 1 1162 153 153 LYS CA C 58.73 0.1 1 1163 153 153 LYS CB C 33.17 0.1 1 1164 153 153 LYS CG C 24.83 0.1 1 1165 153 153 LYS CD C 29.32 0.1 1 1166 153 153 LYS CE C 42.08 0.1 1 1167 153 153 LYS N N 118.28 0.1 1 1168 154 154 THR H H 7.90 0.01 1 1169 154 154 THR HA H 4.38 0.01 1 1170 154 154 THR HG2 H 1.21 0.01 1 1171 154 154 THR C C 176.05 0.1 1 1172 154 154 THR CA C 61.91 0.1 1 1173 154 154 THR CB C 69.72 0.1 1 1174 154 154 THR CG2 C 21.59 0.1 1 1175 154 154 THR N N 108.24 0.1 1 1176 155 155 LYS H H 7.93 0.01 1 1177 155 155 LYS HA H 3.81 0.01 1 1178 155 155 LYS HB2 H 2.36 0.01 2 1179 155 155 LYS HB3 H 1.70 0.01 2 1180 155 155 LYS HG2 H 1.44 0.01 2 1181 155 155 LYS HE2 H 3.03 0.01 2 1182 155 155 LYS C C 175.74 0.1 1 1183 155 155 LYS CA C 58.90 0.1 1 1184 155 155 LYS CB C 29.03 0.1 1 1185 155 155 LYS CG C 25.59 0.1 1 1186 155 155 LYS CE C 42.21 0.1 1 1187 155 155 LYS N N 116.62 0.1 1 1188 156 156 GLU H H 8.07 0.01 1 1189 156 156 GLU HA H 4.27 0.01 1 1190 156 156 GLU HG2 H 2.30 0.01 2 1191 156 156 GLU C C 177.16 0.1 1 1192 156 156 GLU CA C 57.72 0.1 1 1193 156 156 GLU CB C 30.16 0.1 1 1194 156 156 GLU CG C 36.56 0.1 1 1195 156 156 GLU N N 123.95 0.1 1 1196 157 157 GLY H H 8.81 0.01 1 1197 157 157 GLY HA2 H 4.46 0.01 2 1198 157 157 GLY HA3 H 4.01 0.01 2 1199 157 157 GLY C C 176.22 0.1 1 1200 157 157 GLY CA C 45.91 0.1 1 1201 157 157 GLY N N 112.63 0.1 1 1202 158 158 LEU H H 7.79 0.01 1 1203 158 158 LEU HA H 3.99 0.01 1 1204 158 158 LEU HB2 H 1.73 0.01 2 1205 158 158 LEU HB3 H 1.59 0.01 2 1206 158 158 LEU HG H 1.60 0.01 1 1207 158 158 LEU HD1 H 0.81 0.01 2 1208 158 158 LEU HD2 H 0.75 0.01 2 1209 158 158 LEU C C 177.94 0.1 1 1210 158 158 LEU CA C 58.33 0.1 1 1211 158 158 LEU CB C 41.46 0.1 1 1212 158 158 LEU CG C 27.41 0.1 1 1213 158 158 LEU CD1 C 24.99 0.1 2 1214 158 158 LEU CD2 C 24.54 0.1 2 1215 158 158 LEU N N 123.30 0.1 1 1216 159 159 ASP H H 8.44 0.01 1 1217 159 159 ASP HA H 4.37 0.01 1 1218 159 159 ASP HB2 H 2.79 0.01 2 1219 159 159 ASP C C 178.71 0.1 1 1220 159 159 ASP CA C 57.86 0.1 1 1221 159 159 ASP CB C 39.22 0.1 1 1222 159 159 ASP N N 119.53 0.1 1 1223 160 160 HIS H H 8.18 0.01 1 1224 160 160 HIS HA H 4.55 0.01 1 1225 160 160 HIS HB2 H 3.33 0.01 2 1226 160 160 HIS HD2 H 7.60 0.01 1 1227 160 160 HIS C C 176.39 0.1 1 1228 160 160 HIS CA C 58.52 0.1 1 1229 160 160 HIS CB C 28.48 0.1 1 1230 160 160 HIS CD2 C 120.80 0.1 1 1231 160 160 HIS N N 120.50 0.1 1 1232 161 161 LEU H H 7.48 0.01 1 1233 161 161 LEU HA H 4.24 0.01 1 1234 161 161 LEU HB2 H 2.28 0.01 2 1235 161 161 LEU HB3 H 1.43 0.01 2 1236 161 161 LEU HD1 H 0.90 0.01 2 1237 161 161 LEU HD2 H 0.87 0.01 2 1238 161 161 LEU C C 178.01 0.1 1 1239 161 161 LEU CA C 58.52 0.1 1 1240 161 161 LEU CB C 41.15 0.1 1 1241 161 161 LEU CD1 C 23.50 0.1 2 1242 161 161 LEU CD2 C 26.40 0.1 2 1243 161 161 LEU N N 120.56 0.1 1 1244 162 162 LEU H H 7.84 0.01 1 1245 162 162 LEU HA H 3.97 0.01 1 1246 162 162 LEU HB2 H 2.17 0.01 2 1247 162 162 LEU HB3 H 1.47 0.01 2 1248 162 162 LEU HG H 2.09 0.01 1 1249 162 162 LEU HD1 H 0.96 0.01 2 1250 162 162 LEU HD2 H 0.94 0.01 2 1251 162 162 LEU C C 178.40 0.1 1 1252 162 162 LEU CA C 58.39 0.1 1 1253 162 162 LEU CB C 40.61 0.1 1 1254 162 162 LEU CG C 27.38 0.1 1 1255 162 162 LEU CD1 C 25.32 0.1 2 1256 162 162 LEU CD2 C 23.21 0.1 2 1257 162 162 LEU N N 117.94 0.1 1 1258 163 163 GLU H H 7.97 0.01 1 1259 163 163 GLU HA H 3.90 0.01 1 1260 163 163 GLU HB2 H 2.23 0.01 2 1261 163 163 GLU HB3 H 2.08 0.01 2 1262 163 163 GLU HG2 H 2.49 0.01 2 1263 163 163 GLU HG3 H 2.21 0.01 2 1264 163 163 GLU C C 179.95 0.1 1 1265 163 163 GLU CA C 59.62 0.1 1 1266 163 163 GLU CB C 29.28 0.1 1 1267 163 163 GLU CG C 36.45 0.1 1 1268 163 163 GLU N N 118.47 0.1 1 1269 164 164 MET H H 8.17 0.01 1 1270 164 164 MET HA H 4.55 0.01 1 1271 164 164 MET HB2 H 2.25 0.01 2 1272 164 164 MET HG2 H 2.50 0.01 2 1273 164 164 MET HE H 2.02 0.01 1 1274 164 164 MET C C 178.16 0.1 1 1275 164 164 MET CA C 56.61 0.1 1 1276 164 164 MET CB C 32.70 0.1 1 1277 164 164 MET CG C 31.78 0.1 1 1278 164 164 MET CE C 19.68 0.1 1 1279 164 164 MET N N 120.66 0.1 1 1280 165 165 ILE H H 8.10 0.01 1 1281 165 165 ILE HA H 3.37 0.01 1 1282 165 165 ILE HB H 2.12 0.01 1 1283 165 165 ILE HG2 H 0.68 0.01 1 1284 165 165 ILE HD1 H 0.98 0.01 1 1285 165 165 ILE C C 177.85 0.1 1 1286 165 165 ILE CA C 65.94 0.1 1 1287 165 165 ILE CB C 37.67 0.1 1 1288 165 165 ILE CG1 C 29.51 0.1 1 1289 165 165 ILE CG2 C 17.94 0.1 1 1290 165 165 ILE CD1 C 15.56 0.1 1 1291 165 165 ILE N N 122.10 0.1 1 1292 166 166 LEU H H 7.43 0.01 1 1293 166 166 LEU HA H 3.97 0.01 1 1294 166 166 LEU HB2 H 1.95 0.01 2 1295 166 166 LEU HB3 H 1.56 0.01 2 1296 166 166 LEU HG H 1.79 0.01 1 1297 166 166 LEU HD1 H 0.94 0.01 2 1298 166 166 LEU HD2 H 0.82 0.01 2 1299 166 166 LEU C C 179.36 0.1 1 1300 166 166 LEU CA C 57.66 0.1 1 1301 166 166 LEU CB C 41.16 0.1 1 1302 166 166 LEU CG C 26.99 0.1 1 1303 166 166 LEU CD1 C 25.35 0.1 2 1304 166 166 LEU CD2 C 23.15 0.1 2 1305 166 166 LEU N N 119.17 0.1 1 1306 167 167 LEU H H 7.93 0.01 1 1307 167 167 LEU HA H 4.20 0.01 1 1308 167 167 LEU HB2 H 2.04 0.01 2 1309 167 167 LEU HB3 H 1.77 0.01 2 1310 167 167 LEU HG H 1.70 0.01 1 1311 167 167 LEU HD1 H 1.02 0.01 2 1312 167 167 LEU HD2 H 0.99 0.01 2 1313 167 167 LEU C C 179.40 0.1 1 1314 167 167 LEU CA C 58.53 0.1 1 1315 167 167 LEU CB C 42.20 0.1 1 1316 167 167 LEU CG C 27.22 0.1 1 1317 167 167 LEU CD1 C 24.40 0.1 2 1318 167 167 LEU CD2 C 25.15 0.1 2 1319 167 167 LEU N N 123.47 0.1 1 1320 168 168 VAL H H 8.44 0.01 1 1321 168 168 VAL HA H 3.73 0.01 1 1322 168 168 VAL HB H 2.12 0.01 1 1323 168 168 VAL HG1 H 1.10 0.01 2 1324 168 168 VAL HG2 H 0.92 0.01 2 1325 168 168 VAL C C 178.46 0.1 1 1326 168 168 VAL CA C 66.53 0.1 1 1327 168 168 VAL CB C 31.79 0.1 1 1328 168 168 VAL CG1 C 23.99 0.1 2 1329 168 168 VAL CG2 C 21.79 0.1 2 1330 168 168 VAL N N 120.88 0.1 1 1331 169 169 SER H H 8.23 0.01 1 1332 169 169 SER HA H 4.11 0.01 1 1333 169 169 SER C C 176.13 0.1 1 1334 169 169 SER CA C 61.84 0.1 1 1335 169 169 SER N N 115.77 0.1 1 1336 170 170 GLU H H 7.88 0.01 1 1337 170 170 GLU N N 122.40 0.1 1 1338 171 171 MET HA H 4.27 0.01 1 1339 171 171 MET HB2 H 2.85 0.01 2 1340 171 171 MET HB3 H 2.66 0.01 2 1341 171 171 MET HG2 H 2.27 0.01 2 1342 171 171 MET HE H 2.17 0.01 1 1343 171 171 MET C C 178.63 0.1 1 1344 171 171 MET CA C 58.16 0.1 1 1345 171 171 MET CB C 32.93 0.1 1 1346 171 171 MET CG C 32.34 0.1 1 1347 171 171 MET CE C 16.92 0.1 1 1348 172 172 GLU H H 8.33 0.01 1 1349 172 172 GLU HA H 4.16 0.01 1 1350 172 172 GLU HB2 H 2.15 0.01 2 1351 172 172 GLU HG2 H 2.44 0.01 2 1352 172 172 GLU C C 178.41 0.1 1 1353 172 172 GLU CA C 57.96 0.1 1 1354 172 172 GLU CB C 29.80 0.1 1 1355 172 172 GLU CG C 36.49 0.1 1 1356 172 172 GLU N N 121.09 0.1 1 1357 173 173 GLU H H 8.14 0.01 1 1358 173 173 GLU HA H 4.18 0.01 1 1359 173 173 GLU HG2 H 2.43 0.01 2 1360 173 173 GLU HG3 H 2.35 0.01 2 1361 173 173 GLU C C 177.88 0.1 1 1362 173 173 GLU CA C 58.33 0.1 1 1363 173 173 GLU CB C 29.83 0.1 1 1364 173 173 GLU CG C 36.53 0.1 1 1365 173 173 GLU N N 121.81 0.1 1 1366 174 174 LEU H H 7.83 0.01 1 1367 174 174 LEU HA H 4.29 0.01 1 1368 174 174 LEU HB2 H 1.81 0.01 2 1369 174 174 LEU HB3 H 0.92 0.01 2 1370 174 174 LEU HD1 H 0.94 0.01 2 1371 174 174 LEU HD2 H 0.99 0.01 2 1372 174 174 LEU C C 178.32 0.1 1 1373 174 174 LEU CA C 56.06 0.1 1 1374 174 174 LEU CB C 42.02 0.1 1 1375 174 174 LEU CG C 26.95 0.1 1 1376 174 174 LEU CD1 C 23.36 0.1 2 1377 174 174 LEU CD2 C 25.06 0.1 2 1378 174 174 LEU N N 121.06 0.1 1 1379 175 175 LYS H H 7.73 0.01 1 1380 175 175 LYS HA H 4.25 0.01 1 1381 175 175 LYS HB2 H 1.91 0.01 2 1382 175 175 LYS HG2 H 1.45 0.01 2 1383 175 175 LYS HG3 H 1.57 0.01 2 1384 175 175 LYS HD2 H 1.74 0.01 2 1385 175 175 LYS HE2 H 3.02 0.01 2 1386 175 175 LYS C C 176.60 0.1 1 1387 175 175 LYS CA C 57.04 0.1 1 1388 175 175 LYS CB C 32.97 0.1 1 1389 175 175 LYS CG C 24.94 0.1 1 1390 175 175 LYS CD C 29.52 0.1 1 1391 175 175 LYS CE C 42.07 0.1 1 1392 175 175 LYS N N 120.65 0.1 1 1393 176 176 ALA H H 7.84 0.01 1 1394 176 176 ALA HA H 4.31 0.01 1 1395 176 176 ALA HB H 1.44 0.01 1 1396 176 176 ALA C C 177.05 0.1 1 1397 176 176 ALA CA C 52.64 0.1 1 1398 176 176 ALA CB C 19.30 0.1 1 1399 176 176 ALA N N 123.74 0.1 1 1400 177 177 ASN H H 8.07 0.01 1 1401 177 177 ASN N N 119.61 0.1 1 stop_ save_