data_5051 #Corrected using PDB structure: 1JCUA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted # 3 I HA 4.78 3.85 # 4 R HA 4.78 4.08 # 31 Y HA 5.70 4.22 # 32 P HA 3.63 4.55 # 38 G HA 3.62 4.70 # 40 G HA 4.10 5.03 # 43 A HA 3.71 4.60 # 45 D HA 3.32 5.09 # 57 G HA 4.14 2.83 # 94 G HA 4.83 3.52 #100 L HA 4.60 5.30 #106 I HA 4.55 3.73 #111 T HA 4.67 3.91 #114 S HA 3.60 4.83 #125 E HA 4.69 3.84 #135 P HA 3.96 4.70 #138 A HA 4.55 5.51 #164 L HA 5.27 3.98 #168 A HA 5.28 4.14 #182 L HA 4.87 4.08 #208 V HA 4.66 3.91 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 71 V CA 60.86 66.38 #163 D CA 57.06 51.88 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 36 I CB 34.15 40.24 # 49 V CB 38.15 31.35 # 67 C CB 28.25 34.50 #171 C CB 28.15 36.96 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 33 T N 107.12 118.86 #166 L N 128.62 118.18 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.02 0.26 0.25 N/A 0.22 -0.16 # #bmr5051.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5051.str file): #HA CA CB CO N HN #N/A +0.26 +0.26 N/A +0.22 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.16 +/-0.17 N/A +/-0.37 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.486 0.948 0.985 N/A 0.718 0.441 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.187 0.996 0.997 N/A 2.394 0.424 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N and Side-Chain 1H Chemical Shift Assignments for MTH1692 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Chang X. . . 3 Pineda_Lucena A. . . 4 Wu B. . . 5 Semesi A. . . 6 Le B. . . 7 Ramelot T. . . 8 Lee G. M. . 9 Bhattacharyya S. . . 10 Gutierrez P. . . 11 Denisov A. . . 12 Lee C. H. . 13 Cort J. R. . 14 Kozlov G. . . 15 Liao J. . . 16 Finak G. . . 17 Chen L. . . 18 Wishart D. . . 19 Lee W. . . 20 McIntosh L. P. . 21 Gehring Kalle . . 22 Kennedy M. A. . 23 Edwards A. M. . 24 Arrowsmith Cheryl H. . stop_ _BMRB_accession_number 5051 _BMRB_flat_file_name bmr5051.str _Entry_type new _Submission_date 2001-06-11 _Accession_date 2001-06-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 875 '15N chemical shifts' 175 '13C chemical shifts' 309 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; An NMR Approach to Stuctural Proteomics ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 21843898 _PubMed_ID 11854485 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Chang X. . . 3 Pineda_Lucena A. . . 4 Wu B. . . 5 Semesi A. . . 6 Le B. . . 7 Ramelot T. . . 8 Lee G. M. . 9 Bhattacharyya S. . . 10 Gutierrez P. . . 11 Denisov A. . . 12 Lee C. H. . 13 Cort J. R. . 14 Kozlov G. . . 15 Liao J. . . 16 Finak G. . . 17 Chen L. . . 18 Wishart D. . . 19 Lee W. . . 20 McIntosh L. P. . 21 Gehring Kalle . . 22 Kennedy M. A. . 23 Edwards A. M. . 24 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation "Proc. Natl. Acad. Sci. U.S.A." _Journal_volume 99 _Journal_issue 4 _Page_first 1825 _Page_last 1830 _Year 2002 loop_ _Keyword "structural genomics" stop_ save_ ################################## # Molecular system description # ################################## save_system_MTH1692 _Saveframe_category molecular_system _Mol_system_name MTH1692 _Abbreviation_common MTH1692 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MTH1692 $MTH1692 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1JCU ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_MTH1692 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MTH1692 _Name_variant . _Abbreviation_common MTH1692 _Molecular_mass 22614 _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 208 _Mol_residue_sequence ; MLIRKITRKNPSPDVLEEAI SVMEGGGIVIYPTDTIYGLG VNALDEDAVRRLFRVKGRSP HKPVSICVSCVDEIPRFSRP SGDAMELMERILPGPYTVVL ERNELIPDVITGGSSRVGIR VPDDEICRRIAARFPVTATS ANISGKPPSPRLEEIVRDLD AVDLVLDAGDCLDMEPSTVI DLTVNPPRVLRRGKGPLDPV LLRGAGDV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 ILE 4 ARG 5 LYS 6 ILE 7 THR 8 ARG 9 LYS 10 ASN 11 PRO 12 SER 13 PRO 14 ASP 15 VAL 16 LEU 17 GLU 18 GLU 19 ALA 20 ILE 21 SER 22 VAL 23 MET 24 GLU 25 GLY 26 GLY 27 GLY 28 ILE 29 VAL 30 ILE 31 TYR 32 PRO 33 THR 34 ASP 35 THR 36 ILE 37 TYR 38 GLY 39 LEU 40 GLY 41 VAL 42 ASN 43 ALA 44 LEU 45 ASP 46 GLU 47 ASP 48 ALA 49 VAL 50 ARG 51 ARG 52 LEU 53 PHE 54 ARG 55 VAL 56 LYS 57 GLY 58 ARG 59 SER 60 PRO 61 HIS 62 LYS 63 PRO 64 VAL 65 SER 66 ILE 67 CYS 68 VAL 69 SER 70 CYS 71 VAL 72 ASP 73 GLU 74 ILE 75 PRO 76 ARG 77 PHE 78 SER 79 ARG 80 PRO 81 SER 82 GLY 83 ASP 84 ALA 85 MET 86 GLU 87 LEU 88 MET 89 GLU 90 ARG 91 ILE 92 LEU 93 PRO 94 GLY 95 PRO 96 TYR 97 THR 98 VAL 99 VAL 100 LEU 101 GLU 102 ARG 103 ASN 104 GLU 105 LEU 106 ILE 107 PRO 108 ASP 109 VAL 110 ILE 111 THR 112 GLY 113 GLY 114 SER 115 SER 116 ARG 117 VAL 118 GLY 119 ILE 120 ARG 121 VAL 122 PRO 123 ASP 124 ASP 125 GLU 126 ILE 127 CYS 128 ARG 129 ARG 130 ILE 131 ALA 132 ALA 133 ARG 134 PHE 135 PRO 136 VAL 137 THR 138 ALA 139 THR 140 SER 141 ALA 142 ASN 143 ILE 144 SER 145 GLY 146 LYS 147 PRO 148 PRO 149 SER 150 PRO 151 ARG 152 LEU 153 GLU 154 GLU 155 ILE 156 VAL 157 ARG 158 ASP 159 LEU 160 ASP 161 ALA 162 VAL 163 ASP 164 LEU 165 VAL 166 LEU 167 ASP 168 ALA 169 GLY 170 ASP 171 CYS 172 LEU 173 ASP 174 MET 175 GLU 176 PRO 177 SER 178 THR 179 VAL 180 ILE 181 ASP 182 LEU 183 THR 184 VAL 185 ASN 186 PRO 187 PRO 188 ARG 189 VAL 190 LEU 191 ARG 192 ARG 193 GLY 194 LYS 195 GLY 196 PRO 197 LEU 198 ASP 199 PRO 200 VAL 201 LEU 202 LEU 203 ARG 204 GLY 205 ALA 206 GLY 207 ASP 208 VAL stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-03-03 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 1JCU "A Chain A, Solution Structure Of Mth1692Protein From Methanobacterium Thermoautotrophicum" 100.00 208 100 100 1e-115 GenBank AAB86164.1 "conserved protein [Methanothermobacterthermautotrophicus str. Delta H]" 100.00 208 100 100 1e-115 PIR C69093 "conserved hypothetical protein MTH1692 -Methanobacterium thermoautotrophicum (strain Delta H)" 100.00 208 100 100 1e-115 REF NP_276803.1 "conserved protein [Methanothermobacterthermautotrophicus]" 100.00 208 100 100 1e-115 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MTH1692 "Methanothermobacter thermautotrophicus" 145262 Archaea Euryarchaeota Methanobacterium thermoautotrophicum 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 $MTH1692 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MTH1692 3.0 mM "[U-15N]" NaCl 150 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MTH1692 3.0 mM "[U-13C; U-15N]" NaCl 150 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MTH1692 3.0 mM . NaCl 150 mM . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.1 loop_ _Task "data collection" stop_ save_ save_GIFA _Saveframe_category software _Name GIFA _Version 4.31 loop_ _Task "data processing" stop_ save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task "data analysis" stop_ save_ save_ARIA _Saveframe_category software _Name ARIA _Version 0.9 loop_ _Task "automated NOE assignment" stop_ save_ save_CNS _Saveframe_category software _Name CNS _Version 0.9 loop_ _Task refinement stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 800 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D CBCA(CO)NH 3D HNCACB 3D HNCA 3D 1H-1H-15N NOESY 3D 1H-1H-15N TOCSY 3D 13C-1H-1H NOESY 2D 1H-1H NOESY ; save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 320 1 K 'ionic strength' 0.15 0.01 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MTH1692 loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET N N 121.22 0.25 1 2 1 MET H H 7.94 0.01 1 3 1 MET CA C 56.06 0.20 1 4 1 MET HA H 4.26 0.01 1 5 1 MET CB C 33.96 0.20 1 6 1 MET HB2 H 2.18 0.01 2 7 1 MET HB3 H 1.93 0.01 2 8 2 LEU N N 125.42 0.25 1 9 2 LEU H H 7.72 0.01 1 10 2 LEU CA C 53.96 0.20 1 11 2 LEU HA H 4.57 0.01 1 12 2 LEU CB C 43.86 0.20 1 13 2 LEU HB2 H 1.75 0.01 2 14 2 LEU HB3 H 1.45 0.01 2 15 2 LEU HG H 1.67 0.01 1 16 2 LEU HD1 H 0.91 0.01 1 17 2 LEU HD2 H 0.91 0.01 1 18 3 ILE N N 122.22 0.25 1 19 3 ILE H H 8.31 0.01 1 20 3 ILE CA C 60.26 0.20 1 21 3 ILE HA H 4.80 0.01 1 22 3 ILE CB C 39.06 0.20 1 23 3 ILE HB H 1.77 0.01 1 24 3 ILE HG2 H 0.91 0.01 1 25 3 ILE HD1 H 0.76 0.01 1 26 4 ARG N N 125.92 0.25 1 27 4 ARG H H 9.03 0.01 1 28 4 ARG CA C 52.16 0.20 1 29 4 ARG HA H 4.80 0.01 1 30 4 ARG CB C 32.96 0.20 1 31 4 ARG HB2 H 1.76 0.01 2 32 4 ARG HB3 H 1.69 0.01 2 33 4 ARG HG2 H 1.50 0.01 1 34 4 ARG HG3 H 1.50 0.01 1 35 5 LYS N N 123.42 0.25 1 36 5 LYS H H 8.47 0.01 1 37 5 LYS CA C 55.86 0.20 1 38 5 LYS HA H 4.93 0.01 1 39 5 LYS CB C 32.76 0.20 1 40 5 LYS HB2 H 1.81 0.01 1 41 5 LYS HB3 H 1.81 0.01 1 42 5 LYS HG2 H 1.55 0.01 2 43 5 LYS HG3 H 1.49 0.01 2 44 5 LYS HE2 H 3.33 0.01 2 45 5 LYS HE3 H 3.06 0.01 2 46 6 ILE N N 121.72 0.25 1 47 6 ILE H H 8.42 0.01 1 48 6 ILE CA C 58.96 0.20 1 49 6 ILE HA H 4.72 0.01 1 50 6 ILE CB C 43.26 0.20 1 51 6 ILE HB H 1.67 0.01 1 52 6 ILE HG2 H 0.71 0.01 1 53 6 ILE HG12 H 1.34 0.01 2 54 6 ILE HG13 H 1.25 0.01 2 55 6 ILE HD1 H 0.94 0.01 1 56 7 THR N N 114.22 0.25 1 57 7 THR H H 7.79 0.01 1 58 7 THR CA C 58.96 0.20 1 59 7 THR HA H 4.71 0.01 1 60 7 THR CB C 69.66 0.20 1 61 7 THR HB H 4.45 0.01 1 62 7 THR HG2 H 1.67 0.01 1 63 8 ARG N N 118.32 0.25 1 64 8 ARG H H 8.27 0.01 1 65 8 ARG HA H 3.99 0.01 1 66 8 ARG HB2 H 1.87 0.01 2 67 8 ARG HB3 H 1.68 0.01 2 68 8 ARG HG2 H 1.24 0.01 1 69 8 ARG HG3 H 1.24 0.01 1 70 9 LYS N N 115.12 0.25 1 71 9 LYS H H 7.65 0.01 1 72 9 LYS CA C 54.66 0.20 1 73 9 LYS HA H 4.45 0.01 1 74 9 LYS CB C 32.76 0.20 1 75 9 LYS HB2 H 1.74 0.01 1 76 9 LYS HB3 H 1.74 0.01 1 77 9 LYS HG2 H 1.40 0.01 1 78 9 LYS HG3 H 1.40 0.01 1 79 10 ASN N N 119.22 0.25 1 80 10 ASN H H 8.79 0.01 1 81 10 ASN HA H 4.56 0.01 1 82 10 ASN HB2 H 3.58 0.01 2 83 10 ASN HB3 H 3.28 0.01 2 84 13 PRO CA C 64.46 0.20 1 85 13 PRO HA H 4.37 0.01 1 86 13 PRO CB C 31.86 0.20 1 87 13 PRO HB2 H 2.14 0.01 2 88 13 PRO HB3 H 2.05 0.01 2 89 14 ASP N N 116.22 0.25 1 90 14 ASP H H 7.96 0.01 1 91 14 ASP CA C 56.66 0.20 1 92 14 ASP HA H 4.20 0.01 1 93 14 ASP CB C 40.06 0.20 1 94 14 ASP HB2 H 2.73 0.01 2 95 14 ASP HB3 H 2.50 0.01 2 96 15 VAL N N 120.62 0.25 1 97 15 VAL H H 7.37 0.01 1 98 15 VAL CA C 65.06 0.20 1 99 15 VAL HA H 3.92 0.01 1 100 15 VAL CB C 31.76 0.20 1 101 15 VAL HB H 2.03 0.01 1 102 15 VAL HG1 H 1.14 0.01 2 103 15 VAL HG2 H 0.93 0.01 2 104 16 LEU N N 118.82 0.25 1 105 16 LEU H H 7.46 0.01 1 106 16 LEU CA C 57.86 0.20 1 107 16 LEU CB C 40.76 0.20 1 108 16 LEU HB2 H 1.79 0.01 2 109 16 LEU HB3 H 1.20 0.01 2 110 16 LEU HD1 H 0.77 0.01 1 111 16 LEU HD2 H 0.77 0.01 1 112 17 GLU N N 116.72 0.25 1 113 17 GLU H H 8.15 0.01 1 114 17 GLU CA C 59.06 0.20 1 115 17 GLU HA H 3.99 0.01 1 116 17 GLU CB C 28.76 0.20 1 117 17 GLU HB2 H 2.12 0.01 2 118 17 GLU HB3 H 2.09 0.01 2 119 17 GLU HG2 H 2.34 0.01 1 120 17 GLU HG3 H 2.34 0.01 1 121 18 GLU N N 121.52 0.25 1 122 18 GLU H H 7.67 0.01 1 123 18 GLU CA C 59.36 0.20 1 124 18 GLU HA H 4.05 0.01 1 125 18 GLU CB C 29.26 0.20 1 126 18 GLU HB2 H 2.12 0.01 1 127 18 GLU HB3 H 2.12 0.01 1 128 18 GLU HG2 H 2.33 0.01 1 129 18 GLU HG3 H 2.33 0.01 1 130 19 ALA N N 120.42 0.25 1 131 19 ALA H H 8.00 0.01 1 132 19 ALA CA C 55.06 0.20 1 133 19 ALA HA H 3.92 0.01 1 134 19 ALA CB C 17.86 0.20 1 135 19 ALA HB H 1.51 0.01 1 136 20 ILE N N 118.32 0.25 1 137 20 ILE H H 8.28 0.01 1 138 20 ILE HA H 3.57 0.01 1 139 20 ILE HB H 1.52 0.01 1 140 20 ILE HG2 H 1.00 0.01 1 141 20 ILE HD1 H 0.79 0.01 1 142 21 SER N N 122.92 0.25 1 143 21 SER H H 8.52 0.01 1 144 21 SER CA C 61.96 0.20 1 145 21 SER HA H 3.74 0.01 1 146 21 SER CB C 66.26 0.20 1 147 21 SER HB2 H 4.13 0.01 2 148 21 SER HB3 H 4.04 0.01 2 149 22 VAL N N 118.32 0.25 1 150 22 VAL H H 8.27 0.01 1 151 22 VAL CA C 66.06 0.20 1 152 22 VAL HA H 3.91 0.01 1 153 22 VAL CB C 31.06 0.20 1 154 22 VAL HB H 2.01 0.01 1 155 22 VAL HG1 H 0.96 0.01 1 156 22 VAL HG2 H 0.96 0.01 1 157 23 MET N N 119.52 0.25 1 158 23 MET H H 8.12 0.01 1 159 23 MET CA C 59.16 0.20 1 160 23 MET HA H 4.40 0.01 1 161 23 MET CB C 34.46 0.20 1 162 23 MET HB2 H 2.04 0.01 2 163 23 MET HB3 H 1.89 0.01 2 164 23 MET HG2 H 2.81 0.01 2 165 23 MET HG3 H 2.74 0.01 2 166 24 GLU N N 125.92 0.25 1 167 24 GLU H H 9.70 0.01 1 168 24 GLU CA C 59.86 0.20 1 169 24 GLU HA H 3.76 0.01 1 170 24 GLU CB C 29.56 0.20 1 171 24 GLU HB2 H 2.50 0.01 2 172 24 GLU HB3 H 2.28 0.01 2 173 24 GLU HG2 H 2.43 0.01 1 174 24 GLU HG3 H 2.43 0.01 1 175 25 GLY N N 103.22 0.25 1 176 25 GLY H H 7.53 0.01 1 177 25 GLY CA C 44.86 0.20 1 178 25 GLY HA2 H 4.40 0.01 2 179 25 GLY HA3 H 3.84 0.01 2 180 26 GLY N N 106.42 0.25 1 181 26 GLY H H 7.82 0.01 1 182 26 GLY CA C 44.76 0.20 1 183 26 GLY HA2 H 4.38 0.01 2 184 26 GLY HA3 H 3.75 0.01 2 185 27 GLY N N 106.82 0.25 1 186 27 GLY H H 8.13 0.01 1 187 27 GLY CA C 44.16 0.20 1 188 27 GLY HA2 H 4.30 0.01 2 189 27 GLY HA3 H 3.39 0.01 2 190 28 ILE N N 116.72 0.25 1 191 28 ILE H H 9.15 0.01 1 192 28 ILE CA C 59.86 0.20 1 193 28 ILE HA H 4.98 0.01 1 194 28 ILE CB C 41.16 0.20 1 195 28 ILE HB H 1.55 0.01 1 196 28 ILE HG2 H 0.86 0.01 1 197 28 ILE HD1 H 0.80 0.01 1 198 29 VAL N N 125.02 0.25 1 199 29 VAL H H 9.30 0.01 1 200 29 VAL CA C 58.76 0.20 1 201 29 VAL HA H 5.52 0.01 1 202 29 VAL CB C 35.46 0.20 1 203 29 VAL HB H 2.11 0.01 1 204 29 VAL HG1 H 1.02 0.01 2 205 29 VAL HG2 H 0.87 0.01 2 206 30 ILE N N 125.62 0.25 1 207 30 ILE H H 8.71 0.01 1 208 30 ILE CA C 60.86 0.20 1 209 30 ILE HA H 5.36 0.01 1 210 30 ILE CB C 39.06 0.20 1 211 30 ILE HB H 1.75 0.01 1 212 30 ILE HG2 H 0.84 0.01 1 213 30 ILE HD1 H 0.94 0.01 1 214 31 TYR N N 124.72 0.25 1 215 31 TYR H H 8.99 0.01 1 216 31 TYR HA H 5.72 0.01 1 217 31 TYR HB2 H 2.75 0.01 2 218 31 TYR HB3 H 2.56 0.01 2 219 31 TYR HD1 H 6.87 0.01 3 220 31 TYR HE1 H 6.58 0.01 3 221 31 TYR HH H 10.38 0.01 1 222 32 PRO CA C 62.06 0.20 1 223 32 PRO HA H 3.65 0.01 1 224 32 PRO CB C 30.56 0.20 1 225 32 PRO HB2 H 1.73 0.01 2 226 32 PRO HB3 H 1.64 0.01 2 227 33 THR N N 107.12 0.25 1 228 33 THR H H 6.81 0.01 1 229 33 THR CA C 59.86 0.20 1 230 33 THR HA H 4.61 0.01 1 231 33 THR CB C 70.06 0.20 1 232 33 THR HB H 4.26 0.01 1 233 33 THR HG2 H 0.88 0.01 1 234 34 ASP N N 113.72 0.25 1 235 34 ASP H H 9.27 0.01 1 236 34 ASP CA C 55.66 0.20 1 237 34 ASP HA H 4.16 0.01 1 238 34 ASP CB C 38.46 0.20 1 239 34 ASP HB2 H 2.74 0.01 2 240 34 ASP HB3 H 2.46 0.01 2 241 35 THR N N 112.42 0.25 1 242 35 THR H H 8.36 0.01 1 243 35 THR HA H 4.55 0.01 1 244 35 THR HB H 4.50 0.01 1 245 35 THR HG2 H 0.93 0.01 1 246 36 ILE N N 118.42 0.25 1 247 36 ILE H H 8.27 0.01 1 248 36 ILE CA C 62.56 0.20 1 249 36 ILE CB C 34.16 0.20 1 250 37 TYR N N 120.82 0.25 1 251 37 TYR H H 8.60 0.01 1 252 37 TYR CA C 61.36 0.20 1 253 37 TYR HA H 4.28 0.01 1 254 37 TYR CB C 38.36 0.20 1 255 37 TYR HB2 H 2.95 0.01 2 256 37 TYR HB3 H 2.29 0.01 2 257 37 TYR HD1 H 6.87 0.01 3 258 37 TYR HE1 H 6.77 0.01 3 259 38 GLY N N 110.52 0.25 1 260 38 GLY H H 9.37 0.01 1 261 38 GLY CA C 45.06 0.20 1 262 38 GLY HA2 H 4.71 0.01 2 263 38 GLY HA3 H 2.56 0.01 2 264 39 LEU N N 119.92 0.25 1 265 39 LEU H H 8.18 0.01 1 266 39 LEU CA C 52.76 0.20 1 267 39 LEU HA H 5.04 0.01 1 268 39 LEU CB C 44.76 0.20 1 269 39 LEU HB2 H 1.46 0.01 2 270 39 LEU HB3 H 1.13 0.01 2 271 39 LEU HD1 H 0.88 0.01 1 272 39 LEU HD2 H 0.88 0.01 1 273 40 GLY N N 112.82 0.25 1 274 40 GLY H H 10.17 0.01 1 275 40 GLY CA C 46.86 0.20 1 276 40 GLY HA2 H 4.84 0.01 2 277 40 GLY HA3 H 3.40 0.01 2 278 41 VAL N N 115.82 0.25 1 279 41 VAL H H 7.99 0.01 1 280 41 VAL HA H 4.57 0.01 1 281 41 VAL HB H 1.74 0.01 1 282 41 VAL HG1 H 0.74 0.01 2 283 41 VAL HG2 H 0.65 0.01 2 284 42 ASN N N 117.22 0.25 1 285 42 ASN H H 8.55 0.01 1 286 42 ASN CA C 52.66 0.20 1 287 42 ASN HA H 4.56 0.01 1 288 42 ASN CB C 37.06 0.20 1 289 42 ASN HB2 H 2.68 0.01 2 290 42 ASN HB3 H 2.32 0.01 2 291 43 ALA N N 129.62 0.25 1 292 43 ALA H H 8.71 0.01 1 293 43 ALA CA C 53.06 0.20 1 294 43 ALA HA H 3.73 0.01 1 295 43 ALA CB C 19.56 0.20 1 296 43 ALA HB H 1.14 0.01 1 297 44 LEU N N 107.12 0.25 1 298 44 LEU H H 7.74 0.01 1 299 44 LEU CA C 53.06 0.20 1 300 44 LEU HA H 4.24 0.01 1 301 44 LEU CB C 40.16 0.20 1 302 44 LEU HB2 H 1.79 0.01 2 303 44 LEU HB3 H 1.74 0.01 2 304 44 LEU HG H 1.17 0.01 1 305 44 LEU HD1 H 0.96 0.01 2 306 44 LEU HD2 H 0.88 0.01 2 307 45 ASP N N 121.12 0.25 1 308 45 ASP H H 7.55 0.01 1 309 45 ASP CA C 51.76 0.20 1 310 45 ASP HA H 3.34 0.01 1 311 45 ASP CB C 40.76 0.20 1 312 45 ASP HB2 H 2.23 0.01 1 313 45 ASP HB3 H 2.23 0.01 1 314 46 GLU N N 122.92 0.25 1 315 46 GLU H H 8.56 0.01 1 316 46 GLU CA C 60.36 0.20 1 317 46 GLU HA H 3.68 0.01 1 318 46 GLU CB C 29.76 0.20 1 319 46 GLU HB2 H 2.09 0.01 1 320 46 GLU HB3 H 2.09 0.01 1 321 46 GLU HG2 H 2.34 0.01 1 322 46 GLU HG3 H 2.34 0.01 1 323 47 ASP N N 117.12 0.25 1 324 47 ASP H H 7.94 0.01 1 325 47 ASP CA C 57.26 0.20 1 326 47 ASP HA H 4.43 0.01 1 327 47 ASP CB C 40.66 0.20 1 328 47 ASP HB2 H 2.84 0.01 2 329 47 ASP HB3 H 2.69 0.01 2 330 48 ALA N N 125.42 0.25 1 331 48 ALA H H 7.87 0.01 1 332 48 ALA CA C 54.66 0.20 1 333 48 ALA HA H 4.11 0.01 1 334 48 ALA CB C 17.86 0.20 1 335 48 ALA HB H 1.51 0.01 1 336 49 VAL N N 117.82 0.25 1 337 49 VAL H H 8.31 0.01 1 338 49 VAL CA C 66.56 0.20 1 339 49 VAL HA H 3.57 0.01 1 340 49 VAL CB C 38.16 0.20 1 341 49 VAL HB H 1.52 0.01 1 342 49 VAL HG1 H 0.81 0.01 1 343 49 VAL HG2 H 0.81 0.01 1 344 50 ARG N N 115.82 0.25 1 345 50 ARG H H 8.42 0.01 1 346 50 ARG CA C 60.86 0.20 1 347 50 ARG HA H 4.04 0.01 1 348 50 ARG CB C 31.06 0.20 1 349 50 ARG HB2 H 1.82 0.01 1 350 50 ARG HB3 H 1.82 0.01 1 351 51 ARG N N 120.12 0.25 1 352 51 ARG H H 7.90 0.01 1 353 51 ARG CA C 60.26 0.20 1 354 51 ARG HA H 4.01 0.01 1 355 51 ARG CB C 29.66 0.20 1 356 51 ARG HB2 H 2.01 0.01 1 357 51 ARG HB3 H 2.01 0.01 1 358 51 ARG HG2 H 1.52 0.01 2 359 51 ARG HG3 H 1.47 0.01 2 360 52 LEU N N 121.72 0.25 1 361 52 LEU H H 8.28 0.01 1 362 52 LEU CA C 58.86 0.20 1 363 52 LEU HA H 3.88 0.01 1 364 52 LEU CB C 40.86 0.20 1 365 52 LEU HB2 H 2.53 0.01 2 366 52 LEU HB3 H 1.69 0.01 2 367 52 LEU HG H 1.01 0.01 1 368 52 LEU HD1 H 0.89 0.01 2 369 52 LEU HD2 H 0.79 0.01 2 370 53 PHE N N 117.62 0.25 1 371 53 PHE H H 8.47 0.01 1 372 53 PHE CA C 61.76 0.20 1 373 53 PHE HA H 3.91 0.01 1 374 53 PHE CB C 37.66 0.20 1 375 53 PHE HB2 H 3.34 0.01 2 376 53 PHE HB3 H 3.15 0.01 2 377 53 PHE HD1 H 7.30 0.01 3 378 53 PHE HE1 H 7.41 0.01 3 379 54 ARG N N 118.52 0.25 1 380 54 ARG H H 7.83 0.01 1 381 54 ARG CA C 59.36 0.20 1 382 54 ARG HA H 4.23 0.01 1 383 54 ARG CB C 29.66 0.20 1 384 54 ARG HB2 H 2.17 0.01 2 385 54 ARG HB3 H 2.08 0.01 2 386 54 ARG HG2 H 1.88 0.01 2 387 54 ARG HG3 H 1.69 0.01 2 388 55 VAL N N 120.42 0.25 1 389 55 VAL H H 8.54 0.01 1 390 55 VAL CA C 65.16 0.20 1 391 55 VAL HA H 3.80 0.01 1 392 55 VAL CB C 31.76 0.20 1 393 55 VAL HB H 2.18 0.01 1 394 55 VAL HG1 H 1.03 0.01 2 395 55 VAL HG2 H 0.88 0.01 2 396 56 LYS N N 114.62 0.25 1 397 56 LYS H H 7.84 0.01 1 398 56 LYS CA C 57.76 0.20 1 399 56 LYS HA H 3.79 0.01 1 400 56 LYS CB C 32.76 0.20 1 401 56 LYS HB2 H 1.86 0.01 2 402 56 LYS HB3 H 1.67 0.01 2 403 56 LYS HG2 H 1.55 0.01 1 404 56 LYS HG3 H 1.55 0.01 1 405 56 LYS HD2 H 1.33 0.01 1 406 56 LYS HD3 H 1.33 0.01 1 407 57 GLY N N 108.92 0.25 1 408 57 GLY H H 7.93 0.01 1 409 57 GLY HA2 H 4.23 0.01 2 410 57 GLY HA3 H 4.08 0.01 2 411 63 PRO CA C 62.86 0.20 1 412 63 PRO HA H 4.23 0.01 1 413 63 PRO CB C 33.96 0.20 1 414 63 PRO HB2 H 2.37 0.01 2 415 63 PRO HB3 H 2.03 0.01 2 416 63 PRO HG2 H 1.95 0.01 1 417 63 PRO HG3 H 1.95 0.01 1 418 64 VAL N N 116.02 0.25 1 419 64 VAL H H 8.76 0.01 1 420 64 VAL CA C 59.36 0.20 1 421 64 VAL HA H 4.72 0.01 1 422 64 VAL CB C 35.06 0.20 1 423 64 VAL HB H 2.20 0.01 1 424 64 VAL HG1 H 1.13 0.01 2 425 64 VAL HG2 H 0.96 0.01 2 426 65 SER N N 119.22 0.25 1 427 65 SER H H 8.21 0.01 1 428 65 SER CA C 57.46 0.20 1 429 65 SER HA H 5.03 0.01 1 430 65 SER CB C 64.36 0.20 1 431 65 SER HB2 H 3.74 0.01 2 432 65 SER HB3 H 3.67 0.01 2 433 66 ILE N N 113.02 0.25 1 434 66 ILE H H 8.72 0.01 1 435 66 ILE CA C 58.96 0.20 1 436 66 ILE HA H 5.08 0.01 1 437 66 ILE HB H 1.44 0.01 1 438 66 ILE HG2 H 0.76 0.01 1 439 66 ILE HD1 H 0.49 0.01 1 440 67 CYS N N 121.12 0.25 1 441 67 CYS H H 9.68 0.01 1 442 67 CYS CA C 56.76 0.20 1 443 67 CYS HA H 5.44 0.01 1 444 67 CYS CB C 28.26 0.20 1 445 67 CYS HB2 H 2.90 0.01 2 446 67 CYS HB3 H 2.66 0.01 2 447 68 VAL N N 116.22 0.25 1 448 68 VAL H H 8.20 0.01 1 449 68 VAL CA C 59.06 0.20 1 450 68 VAL HA H 4.84 0.01 1 451 68 VAL CB C 34.16 0.20 1 452 68 VAL HB H 2.23 0.01 1 453 68 VAL HG1 H 0.91 0.01 2 454 68 VAL HG2 H 0.79 0.01 2 455 69 SER N N 113.52 0.25 1 456 69 SER H H 8.50 0.01 1 457 69 SER CA C 61.16 0.20 1 458 69 SER HA H 4.01 0.01 1 459 69 SER CB C 64.06 0.20 1 460 69 SER HB2 H 3.90 0.01 2 461 69 SER HB3 H 3.81 0.01 2 462 70 CYS N N 109.62 0.25 1 463 70 CYS H H 7.25 0.01 1 464 70 CYS HA H 4.73 0.01 1 465 70 CYS HB2 H 3.43 0.01 2 466 70 CYS HB3 H 3.11 0.01 2 467 71 VAL N N 122.02 0.25 1 468 71 VAL H H 9.00 0.01 1 469 71 VAL CA C 60.86 0.20 1 470 71 VAL HA H 3.56 0.01 1 471 71 VAL CB C 30.46 0.20 1 472 71 VAL HB H 2.03 0.01 1 473 71 VAL HG1 H 0.96 0.01 2 474 71 VAL HG2 H 0.89 0.01 2 475 72 ASP N N 115.82 0.25 1 476 72 ASP H H 8.25 0.01 1 477 72 ASP CA C 56.26 0.20 1 478 72 ASP HA H 4.31 0.01 1 479 72 ASP CB C 40.16 0.20 1 480 72 ASP HB2 H 2.65 0.01 1 481 72 ASP HB3 H 2.65 0.01 1 482 73 GLU N N 115.52 0.25 1 483 73 GLU H H 7.39 0.01 1 484 73 GLU CA C 56.66 0.20 1 485 73 GLU HA H 4.31 0.01 1 486 73 GLU CB C 30.86 0.20 1 487 73 GLU HB2 H 2.25 0.01 2 488 73 GLU HB3 H 2.15 0.01 2 489 73 GLU HG2 H 2.66 0.01 2 490 73 GLU HG3 H 2.40 0.01 2 491 74 ILE N N 120.12 0.25 1 492 74 ILE H H 7.90 0.01 1 493 74 ILE HA H 3.67 0.01 1 494 74 ILE HB H 2.03 0.01 1 495 74 ILE HG2 H 0.94 0.01 1 496 74 ILE HD1 H 0.78 0.01 1 497 76 ARG CA C 57.76 0.20 1 498 76 ARG CB C 29.36 0.20 1 499 77 PHE N N 114.42 0.25 1 500 77 PHE H H 7.38 0.01 1 501 77 PHE CA C 57.76 0.20 1 502 77 PHE HA H 4.94 0.01 1 503 77 PHE CB C 41.66 0.20 1 504 77 PHE HB2 H 3.32 0.01 2 505 77 PHE HB3 H 2.31 0.01 2 506 77 PHE HD1 H 7.16 0.01 3 507 77 PHE HE1 H 6.74 0.01 3 508 78 SER N N 108.42 0.25 1 509 78 SER H H 7.40 0.01 1 510 78 SER CA C 57.66 0.20 1 511 78 SER HA H 4.97 0.01 1 512 78 SER CB C 66.46 0.20 1 513 78 SER HB2 H 3.62 0.01 2 514 78 SER HB3 H 3.59 0.01 2 515 79 ARG N N 114.62 0.25 1 516 79 ARG H H 8.29 0.01 1 517 79 ARG HA H 4.99 0.01 1 518 79 ARG HB2 H 1.55 0.01 1 519 79 ARG HB3 H 1.55 0.01 1 520 79 ARG HG2 H 1.99 0.01 2 521 79 ARG HG3 H 1.79 0.01 2 522 80 PRO CA C 61.96 0.20 1 523 80 PRO HA H 4.39 0.01 1 524 80 PRO CB C 32.06 0.20 1 525 80 PRO HB2 H 1.60 0.01 1 526 80 PRO HB3 H 1.60 0.01 1 527 80 PRO HG2 H 1.96 0.01 1 528 80 PRO HG3 H 1.96 0.01 1 529 81 SER N N 118.12 0.25 1 530 81 SER H H 8.40 0.01 1 531 81 SER CA C 56.76 0.20 1 532 81 SER HA H 4.64 0.01 1 533 81 SER CB C 64.96 0.20 1 534 81 SER HB2 H 4.14 0.01 1 535 81 SER HB3 H 4.14 0.01 1 536 82 GLY N N 108.92 0.25 1 537 82 GLY H H 8.89 0.01 1 538 82 GLY HA2 H 4.01 0.01 2 539 82 GLY HA3 H 3.84 0.01 2 540 83 ASP N N 120.42 0.25 1 541 83 ASP H H 8.17 0.01 1 542 83 ASP CA C 56.46 0.20 1 543 83 ASP HA H 4.45 0.01 1 544 83 ASP CB C 40.26 0.20 1 545 83 ASP HB2 H 2.65 0.01 2 546 83 ASP HB3 H 2.46 0.01 2 547 84 ALA N N 123.12 0.25 1 548 84 ALA H H 8.05 0.01 1 549 84 ALA CA C 55.06 0.20 1 550 84 ALA HA H 4.12 0.01 1 551 84 ALA CB C 18.66 0.20 1 552 84 ALA HB H 1.61 0.01 1 553 85 MET N N 116.92 0.25 1 554 85 MET H H 8.19 0.01 1 555 85 MET CA C 57.36 0.20 1 556 85 MET HA H 4.30 0.01 1 557 85 MET CB C 30.76 0.20 1 558 85 MET HB2 H 2.19 0.01 2 559 85 MET HB3 H 2.08 0.01 2 560 85 MET HG2 H 2.54 0.01 1 561 85 MET HG3 H 2.54 0.01 1 562 86 GLU N N 118.32 0.25 1 563 86 GLU H H 7.74 0.01 1 564 86 GLU CA C 59.36 0.20 1 565 86 GLU HA H 4.01 0.01 1 566 86 GLU CB C 29.06 0.20 1 567 86 GLU HB2 H 2.11 0.01 1 568 86 GLU HB3 H 2.11 0.01 1 569 86 GLU HG2 H 2.44 0.01 2 570 86 GLU HG3 H 2.20 0.01 2 571 87 LEU N N 118.32 0.25 1 572 87 LEU H H 7.43 0.01 1 573 87 LEU CA C 57.86 0.20 1 574 87 LEU HA H 4.10 0.01 1 575 87 LEU CB C 41.56 0.20 1 576 87 LEU HB2 H 1.76 0.01 1 577 87 LEU HB3 H 1.76 0.01 1 578 87 LEU HG H 1.51 0.01 1 579 87 LEU HD1 H 0.98 0.01 2 580 87 LEU HD2 H 0.90 0.01 2 581 88 MET N N 117.62 0.25 1 582 88 MET H H 8.61 0.01 1 583 88 MET CA C 60.96 0.20 1 584 88 MET HA H 3.67 0.01 1 585 88 MET CB C 33.66 0.20 1 586 88 MET HB2 H 1.97 0.01 2 587 88 MET HB3 H 1.76 0.01 2 588 88 MET HG2 H 2.41 0.01 1 589 88 MET HG3 H 2.41 0.01 1 590 89 GLU N N 114.22 0.25 1 591 89 GLU H H 7.94 0.01 1 592 89 GLU CA C 58.46 0.20 1 593 89 GLU HA H 4.09 0.01 1 594 89 GLU CB C 29.06 0.20 1 595 89 GLU HB2 H 2.12 0.01 1 596 89 GLU HB3 H 2.12 0.01 1 597 89 GLU HG2 H 2.52 0.01 2 598 89 GLU HG3 H 2.32 0.01 2 599 90 ARG N N 114.62 0.25 1 600 90 ARG H H 7.40 0.01 1 601 90 ARG CA C 57.66 0.20 1 602 90 ARG HA H 4.40 0.01 1 603 90 ARG CB C 31.26 0.20 1 604 90 ARG HB2 H 2.04 0.01 1 605 90 ARG HB3 H 2.04 0.01 1 606 90 ARG HG2 H 1.69 0.01 1 607 90 ARG HG3 H 1.69 0.01 1 608 91 ILE N N 108.92 0.25 1 609 91 ILE H H 7.37 0.01 1 610 91 ILE CA C 62.06 0.20 1 611 91 ILE HA H 4.49 0.01 1 612 91 ILE CB C 38.56 0.20 1 613 91 ILE HB H 1.69 0.01 1 614 91 ILE HG2 H 0.57 0.01 1 615 91 ILE HG12 H 1.05 0.01 2 616 91 ILE HG13 H 0.92 0.01 2 617 91 ILE HD1 H -0.10 0.01 1 618 92 LEU N N 119.42 0.25 1 619 92 LEU H H 7.86 0.01 1 620 92 LEU HA H 4.74 0.01 1 621 92 LEU HB2 H 1.97 0.01 1 622 92 LEU HB3 H 1.97 0.01 1 623 92 LEU HD1 H 0.83 0.01 1 624 92 LEU HD2 H 0.83 0.01 1 625 93 PRO CA C 61.96 0.20 1 626 93 PRO HA H 4.45 0.01 1 627 93 PRO CB C 35.06 0.20 1 628 93 PRO HB2 H 2.28 0.01 2 629 93 PRO HB3 H 1.76 0.01 2 630 93 PRO HG2 H 2.05 0.01 2 631 93 PRO HG3 H 1.96 0.01 2 632 94 GLY N N 108.02 0.25 1 633 94 GLY H H 8.66 0.01 1 634 94 GLY HA2 H 4.96 0.01 2 635 94 GLY HA3 H 4.74 0.01 2 636 95 PRO CA C 62.96 0.20 1 637 95 PRO HA H 4.67 0.01 1 638 95 PRO HB2 H 2.08 0.01 2 639 95 PRO HB3 H 2.00 0.01 2 640 95 PRO HG2 H 1.72 0.01 2 641 95 PRO HG3 H 1.60 0.01 2 642 96 TYR N N 117.82 0.25 1 643 96 TYR H H 8.19 0.01 1 644 96 TYR CA C 56.56 0.20 1 645 96 TYR HA H 5.71 0.01 1 646 96 TYR CB C 42.86 0.20 1 647 96 TYR HB2 H 2.84 0.01 2 648 96 TYR HB3 H 2.40 0.01 2 649 96 TYR HD1 H 6.75 0.01 3 650 97 THR N N 122.72 0.25 1 651 97 THR H H 9.54 0.01 1 652 97 THR CA C 62.86 0.20 1 653 97 THR HA H 4.74 0.01 1 654 97 THR CB C 70.26 0.20 1 655 97 THR HB H 3.96 0.01 1 656 97 THR HG2 H 0.84 0.01 1 657 98 VAL N N 122.02 0.25 1 658 98 VAL H H 9.58 0.01 1 659 98 VAL CA C 58.56 0.20 1 660 98 VAL HA H 5.30 0.01 1 661 98 VAL CB C 32.86 0.20 1 662 98 VAL HB H 2.03 0.01 1 663 98 VAL HG1 H 1.06 0.01 1 664 98 VAL HG2 H 1.06 0.01 1 665 99 VAL N N 125.42 0.25 1 666 99 VAL H H 8.94 0.01 1 667 99 VAL CA C 61.96 0.20 1 668 99 VAL HA H 4.90 0.01 1 669 99 VAL CB C 31.86 0.20 1 670 99 VAL HB H 2.03 0.01 1 671 99 VAL HG1 H 0.87 0.01 2 672 99 VAL HG2 H 0.83 0.01 2 673 100 LEU N N 125.62 0.25 1 674 100 LEU H H 8.54 0.01 1 675 100 LEU CA C 52.16 0.20 1 676 100 LEU HA H 4.62 0.01 1 677 100 LEU CB C 49.36 0.20 1 678 100 LEU HB2 H 1.54 0.01 2 679 100 LEU HB3 H 1.37 0.01 2 680 100 LEU HG H 1.69 0.01 1 681 100 LEU HD1 H 0.88 0.01 2 682 100 LEU HD2 H 0.81 0.01 2 683 101 GLU N N 119.72 0.25 1 684 101 GLU H H 8.43 0.01 1 685 101 GLU CA C 55.66 0.20 1 686 101 GLU HA H 4.76 0.01 1 687 101 GLU CB C 30.16 0.20 1 688 101 GLU HB2 H 1.99 0.01 1 689 101 GLU HB3 H 1.99 0.01 1 690 101 GLU HG2 H 2.44 0.01 1 691 101 GLU HG3 H 2.44 0.01 1 692 102 ARG N N 122.42 0.25 1 693 102 ARG H H 8.81 0.01 1 694 102 ARG CA C 55.66 0.20 1 695 102 ARG HA H 4.96 0.01 1 696 102 ARG CB C 30.36 0.20 1 697 102 ARG HB2 H 1.59 0.01 1 698 102 ARG HB3 H 1.59 0.01 1 699 102 ARG HG2 H 1.67 0.01 1 700 102 ARG HG3 H 1.67 0.01 1 701 103 ASN N N 117.82 0.25 1 702 103 ASN H H 6.84 0.01 1 703 103 ASN CA C 50.46 0.20 1 704 103 ASN HA H 4.89 0.01 1 705 103 ASN CB C 39.16 0.20 1 706 103 ASN HB2 H 3.31 0.01 2 707 103 ASN HB3 H 2.31 0.01 2 708 104 GLU N N 113.92 0.25 1 709 104 GLU H H 8.91 0.01 1 710 104 GLU CA C 58.26 0.20 1 711 104 GLU HA H 4.14 0.01 1 712 104 GLU CB C 28.46 0.20 1 713 104 GLU HB2 H 2.11 0.01 2 714 104 GLU HB3 H 2.03 0.01 2 715 105 LEU N N 119.22 0.25 1 716 105 LEU H H 7.89 0.01 1 717 105 LEU CA C 56.16 0.20 1 718 105 LEU HA H 4.26 0.01 1 719 105 LEU CB C 42.16 0.20 1 720 105 LEU HB2 H 2.16 0.01 2 721 105 LEU HB3 H 1.78 0.01 2 722 105 LEU HD1 H 1.02 0.01 2 723 105 LEU HD2 H 0.96 0.01 2 724 106 ILE N N 116.72 0.25 1 725 106 ILE H H 7.06 0.01 1 726 106 ILE HA H 4.57 0.01 1 727 106 ILE HB H 2.02 0.01 1 728 106 ILE HG2 H 0.95 0.01 1 729 106 ILE HG12 H 1.61 0.01 2 730 106 ILE HG13 H 1.53 0.01 2 731 106 ILE HD1 H 0.74 0.01 1 732 107 PRO CA C 62.36 0.20 1 733 107 PRO HA H 4.40 0.01 1 734 107 PRO CB C 32.96 0.20 1 735 107 PRO HB2 H 2.07 0.01 1 736 107 PRO HB3 H 2.07 0.01 1 737 108 ASP N N 121.12 0.25 1 738 108 ASP H H 8.73 0.01 1 739 108 ASP CA C 56.76 0.20 1 740 108 ASP HA H 4.65 0.01 1 741 108 ASP CB C 40.06 0.20 1 742 108 ASP HB2 H 2.75 0.01 2 743 108 ASP HB3 H 2.53 0.01 2 744 109 VAL N N 110.72 0.25 1 745 109 VAL H H 7.84 0.01 1 746 109 VAL CA C 63.36 0.20 1 747 109 VAL HA H 4.04 0.01 1 748 109 VAL CB C 30.76 0.20 1 749 109 VAL HB H 2.13 0.01 1 750 109 VAL HG1 H 1.00 0.01 2 751 109 VAL HG2 H 0.95 0.01 2 752 110 ILE N N 117.62 0.25 1 753 110 ILE H H 7.33 0.01 1 754 110 ILE CA C 60.36 0.20 1 755 110 ILE HA H 4.23 0.01 1 756 110 ILE CB C 35.56 0.20 1 757 110 ILE HB H 2.46 0.01 1 758 110 ILE HG2 H 1.03 0.01 1 759 110 ILE HG12 H 2.07 0.01 2 760 110 ILE HG13 H 1.67 0.01 2 761 110 ILE HD1 H 0.81 0.01 1 762 111 THR N N 103.82 0.25 1 763 111 THR H H 7.02 0.01 1 764 111 THR HA H 4.69 0.01 1 765 111 THR HB H 4.40 0.01 1 766 111 THR HG2 H 1.05 0.01 1 767 112 GLY N N 113.92 0.25 1 768 112 GLY H H 8.23 0.01 1 769 112 GLY HA2 H 4.03 0.01 2 770 112 GLY HA3 H 3.88 0.01 2 771 113 GLY N N 105.52 0.25 1 772 113 GLY H H 8.29 0.01 1 773 113 GLY HA2 H 4.40 0.01 2 774 113 GLY HA3 H 4.33 0.01 2 775 114 SER N N 114.42 0.25 1 776 114 SER H H 7.37 0.01 1 777 114 SER HA H 3.62 0.01 1 778 114 SER HB2 H 3.91 0.01 2 779 114 SER HB3 H 3.74 0.01 2 780 115 SER N N 118.12 0.25 1 781 115 SER H H 8.43 0.01 1 782 115 SER CA C 58.86 0.20 1 783 115 SER CB C 63.46 0.20 1 784 116 ARG N N 121.82 0.25 1 785 116 ARG H H 7.95 0.01 1 786 116 ARG CA C 55.16 0.20 1 787 116 ARG HA H 4.96 0.01 1 788 116 ARG CB C 32.46 0.20 1 789 116 ARG HB2 H 1.58 0.01 1 790 116 ARG HB3 H 1.58 0.01 1 791 116 ARG HG2 H 1.45 0.01 1 792 116 ARG HG3 H 1.45 0.01 1 793 117 VAL N N 119.92 0.25 1 794 117 VAL H H 9.42 0.01 1 795 117 VAL CA C 58.26 0.20 1 796 117 VAL HA H 4.69 0.01 1 797 117 VAL CB C 36.56 0.20 1 798 117 VAL HB H 1.74 0.01 1 799 117 VAL HG1 H 1.03 0.01 2 800 117 VAL HG2 H 0.87 0.01 2 801 118 GLY N N 114.62 0.25 1 802 118 GLY H H 8.67 0.01 1 803 118 GLY CA C 44.36 0.20 1 804 118 GLY HA2 H 4.77 0.01 2 805 118 GLY HA3 H 3.25 0.01 2 806 119 ILE N N 125.62 0.25 1 807 119 ILE H H 9.42 0.01 1 808 119 ILE CA C 60.16 0.20 1 809 119 ILE HA H 4.91 0.01 1 810 119 ILE CB C 40.76 0.20 1 811 119 ILE HB H 1.67 0.01 1 812 119 ILE HG2 H 1.06 0.01 1 813 119 ILE HG12 H 0.92 0.01 1 814 119 ILE HG13 H 0.92 0.01 1 815 119 ILE HD1 H 0.83 0.01 1 816 120 ARG N N 123.62 0.25 1 817 120 ARG H H 9.31 0.01 1 818 120 ARG CA C 55.06 0.20 1 819 120 ARG HA H 4.84 0.01 1 820 120 ARG HB2 H 1.76 0.01 2 821 120 ARG HB3 H 1.67 0.01 2 822 120 ARG HG2 H 1.96 0.01 1 823 120 ARG HG3 H 1.96 0.01 1 824 121 VAL N N 120.42 0.25 1 825 121 VAL H H 9.30 0.01 1 826 121 VAL HA H 4.47 0.01 1 827 121 VAL HB H 2.16 0.01 1 828 121 VAL HG1 H 0.81 0.01 2 829 121 VAL HG2 H 0.74 0.01 2 830 122 PRO CA C 61.96 0.20 1 831 122 PRO HA H 4.45 0.01 1 832 122 PRO CB C 32.46 0.20 1 833 122 PRO HB2 H 2.30 0.01 1 834 122 PRO HB3 H 2.30 0.01 1 835 122 PRO HG2 H 1.76 0.01 2 836 122 PRO HG3 H 1.67 0.01 2 837 123 ASP N N 122.42 0.25 1 838 123 ASP H H 9.32 0.01 1 839 123 ASP CA C 51.96 0.20 1 840 123 ASP HA H 4.71 0.01 1 841 123 ASP CB C 38.26 0.20 1 842 123 ASP HB2 H 2.86 0.01 2 843 123 ASP HB3 H 2.06 0.01 2 844 124 ASP N N 120.42 0.25 1 845 124 ASP H H 7.51 0.01 1 846 124 ASP CA C 54.16 0.20 1 847 124 ASP HA H 4.71 0.01 1 848 124 ASP CB C 45.46 0.20 1 849 124 ASP HB2 H 2.54 0.01 2 850 124 ASP HB3 H 2.29 0.01 2 851 125 GLU N N 125.62 0.25 1 852 125 GLU H H 8.54 0.01 1 853 125 GLU CA C 59.36 0.20 1 854 125 GLU HA H 4.71 0.01 1 855 125 GLU CB C 30.26 0.20 1 856 125 GLU HB2 H 2.11 0.01 2 857 125 GLU HB3 H 1.96 0.01 2 858 125 GLU HG2 H 2.35 0.01 2 859 125 GLU HG3 H 2.28 0.01 2 860 126 ILE N N 119.02 0.25 1 861 126 ILE H H 8.49 0.01 1 862 126 ILE CA C 66.56 0.20 1 863 126 ILE HA H 3.48 0.01 1 864 126 ILE CB C 36.46 0.20 1 865 126 ILE HB H 1.86 0.01 1 866 126 ILE HG2 H 0.85 0.01 1 867 126 ILE HG12 H 1.68 0.01 2 868 126 ILE HD1 H 0.94 0.01 1 869 127 CYS N N 116.72 0.25 1 870 127 CYS H H 8.84 0.01 1 871 127 CYS CA C 63.96 0.20 1 872 127 CYS HA H 3.91 0.01 1 873 127 CYS CB C 27.76 0.20 1 874 127 CYS HB2 H 2.96 0.01 2 875 127 CYS HB3 H 2.85 0.01 2 876 128 ARG N N 114.42 0.25 1 877 128 ARG H H 7.53 0.01 1 878 128 ARG CA C 59.36 0.20 1 879 128 ARG HA H 4.08 0.01 1 880 128 ARG CB C 30.26 0.20 1 881 128 ARG HB2 H 2.05 0.01 2 882 128 ARG HB3 H 1.90 0.01 2 883 129 ARG N N 115.32 0.25 1 884 129 ARG H H 7.79 0.01 1 885 129 ARG CA C 57.66 0.20 1 886 129 ARG HA H 3.92 0.01 1 887 129 ARG CB C 30.76 0.20 1 888 129 ARG HB2 H 1.84 0.01 2 889 129 ARG HB3 H 1.74 0.01 2 890 130 ILE N N 117.12 0.25 1 891 130 ILE H H 8.54 0.01 1 892 130 ILE CA C 63.66 0.20 1 893 130 ILE HA H 4.06 0.01 1 894 130 ILE CB C 36.96 0.20 1 895 130 ILE HB H 1.75 0.01 1 896 130 ILE HG2 H 0.65 0.01 1 897 130 ILE HD1 H 0.11 0.01 1 898 131 ALA N N 120.82 0.25 1 899 131 ALA H H 6.52 0.01 1 900 131 ALA CA C 50.06 0.20 1 901 131 ALA HA H 4.84 0.01 1 902 131 ALA CB C 18.06 0.20 1 903 131 ALA HB H 1.15 0.01 1 904 132 ALA N N 116.92 0.25 1 905 132 ALA H H 6.67 0.01 1 906 132 ALA CA C 55.16 0.20 1 907 132 ALA HA H 3.87 0.01 1 908 132 ALA CB C 19.86 0.20 1 909 132 ALA HB H 1.39 0.01 1 910 133 ARG N N 113.52 0.25 1 911 133 ARG H H 8.35 0.01 1 912 133 ARG CA C 56.26 0.20 1 913 133 ARG HA H 4.42 0.01 1 914 133 ARG CB C 31.96 0.20 1 915 133 ARG HB2 H 1.82 0.01 2 916 133 ARG HB3 H 1.53 0.01 2 917 134 PHE N N 118.12 0.25 1 918 134 PHE H H 7.09 0.01 1 919 134 PHE HA H 3.57 0.01 1 920 134 PHE HB2 H 3.42 0.01 2 921 134 PHE HB3 H 3.18 0.01 2 922 134 PHE HD1 H 7.18 0.01 3 923 135 PRO CA C 61.96 0.20 1 924 135 PRO HA H 3.98 0.01 1 925 135 PRO CB C 31.86 0.20 1 926 135 PRO HB2 H 1.78 0.01 2 927 135 PRO HB3 H 1.39 0.01 2 928 135 PRO HG2 H 1.15 0.01 1 929 135 PRO HG3 H 1.15 0.01 1 930 136 VAL N N 118.52 0.25 1 931 136 VAL H H 8.00 0.01 1 932 136 VAL CA C 59.06 0.20 1 933 136 VAL HA H 5.33 0.01 1 934 136 VAL CB C 36.36 0.20 1 935 136 VAL HB H 1.61 0.01 1 936 136 VAL HG1 H 0.89 0.01 1 937 136 VAL HG2 H 0.89 0.01 1 938 137 THR N N 114.42 0.25 1 939 137 THR H H 8.62 0.01 1 940 137 THR CA C 64.06 0.20 1 941 137 THR HA H 5.08 0.01 1 942 137 THR CB C 70.06 0.20 1 943 137 THR HB H 4.40 0.01 1 944 137 THR HG2 H 1.26 0.01 1 945 138 ALA N N 125.02 0.25 1 946 138 ALA H H 8.87 0.01 1 947 138 ALA CA C 50.56 0.20 1 948 138 ALA HA H 4.57 0.01 1 949 138 ALA CB C 18.96 0.20 1 950 138 ALA HB H 1.18 0.01 1 951 139 THR N N 112.62 0.25 1 952 139 THR H H 6.43 0.01 1 953 139 THR HA H 4.76 0.01 1 954 139 THR HB H 4.11 0.01 1 955 139 THR HG2 H 1.21 0.01 1 956 140 SER CA C 58.86 0.20 1 957 140 SER CB C 63.96 0.20 1 958 141 ALA N N 124.72 0.25 1 959 141 ALA H H 8.32 0.01 1 960 141 ALA CA C 50.46 0.20 1 961 141 ALA HA H 3.90 0.01 1 962 141 ALA CB C 16.86 0.20 1 963 141 ALA HB H 0.98 0.01 1 964 142 ASN N N 118.52 0.25 1 965 142 ASN H H 7.65 0.01 1 966 142 ASN CA C 52.46 0.20 1 967 142 ASN HA H 4.69 0.01 1 968 142 ASN CB C 40.16 0.20 1 969 142 ASN HB2 H 2.65 0.01 2 970 142 ASN HB3 H 2.54 0.01 2 971 143 ILE N N 119.02 0.25 1 972 143 ILE H H 8.63 0.01 1 973 143 ILE CA C 60.26 0.20 1 974 143 ILE HA H 4.33 0.01 1 975 143 ILE CB C 38.26 0.20 1 976 143 ILE HB H 1.80 0.01 1 977 143 ILE HG2 H 0.98 0.01 1 978 143 ILE HG12 H 1.43 0.01 2 979 143 ILE HG13 H 1.25 0.01 2 980 143 ILE HD1 H 0.88 0.01 1 981 144 SER N N 119.52 0.25 1 982 144 SER H H 8.63 0.01 1 983 144 SER HA H 4.18 0.01 1 984 144 SER HB2 H 3.86 0.01 2 985 144 SER HB3 H 3.69 0.01 2 986 150 PRO CA C 63.26 0.20 1 987 150 PRO HA H 4.07 0.01 1 988 150 PRO CB C 32.86 0.20 1 989 150 PRO HB2 H 2.12 0.01 2 990 150 PRO HB3 H 1.95 0.01 2 991 151 ARG N N 116.22 0.25 1 992 151 ARG H H 7.89 0.01 1 993 151 ARG CA C 54.16 0.20 1 994 151 ARG HA H 5.04 0.01 1 995 151 ARG CB C 30.86 0.20 1 996 151 ARG HB2 H 1.67 0.01 2 997 151 ARG HB3 H 1.59 0.01 2 998 151 ARG HG2 H 1.81 0.01 1 999 151 ARG HG3 H 1.81 0.01 1 1000 152 LEU N N 128.22 0.25 1 1001 152 LEU H H 8.76 0.01 1 1002 152 LEU CA C 57.26 0.20 1 1003 152 LEU HA H 3.72 0.01 1 1004 152 LEU CB C 40.96 0.20 1 1005 152 LEU HB2 H 1.52 0.01 2 1006 152 LEU HB3 H 1.30 0.01 2 1007 152 LEU HD1 H 0.45 0.01 2 1008 152 LEU HD2 H 0.19 0.01 2 1009 153 GLU N N 115.82 0.25 1 1010 153 GLU H H 9.20 0.01 1 1011 153 GLU CA C 59.36 0.20 1 1012 153 GLU HA H 3.79 0.01 1 1013 153 GLU CB C 29.16 0.20 1 1014 153 GLU HB2 H 1.98 0.01 2 1015 153 GLU HB3 H 1.85 0.01 2 1016 153 GLU HG2 H 2.21 0.01 1 1017 153 GLU HG3 H 2.21 0.01 1 1018 154 GLU N N 115.52 0.25 1 1019 154 GLU H H 6.96 0.01 1 1020 154 GLU CA C 58.26 0.20 1 1021 154 GLU HA H 3.93 0.01 1 1022 154 GLU CB C 29.36 0.20 1 1023 154 GLU HB2 H 2.23 0.01 2 1024 154 GLU HB3 H 2.14 0.01 2 1025 155 ILE N N 119.92 0.25 1 1026 155 ILE H H 7.37 0.01 1 1027 155 ILE CA C 64.96 0.20 1 1028 155 ILE HA H 3.66 0.01 1 1029 155 ILE CB C 38.56 0.20 1 1030 155 ILE HB H 1.73 0.01 1 1031 155 ILE HG2 H 0.84 0.01 1 1032 155 ILE HG12 H 1.28 0.01 2 1033 155 ILE HD1 H 0.75 0.01 1 1034 156 VAL N N 112.32 0.25 1 1035 156 VAL H H 7.96 0.01 1 1036 156 VAL CA C 64.96 0.20 1 1037 156 VAL HA H 3.44 0.01 1 1038 156 VAL CB C 31.16 0.20 1 1039 156 VAL HB H 1.98 0.01 1 1040 156 VAL HG1 H 0.82 0.01 1 1041 156 VAL HG2 H 0.82 0.01 1 1042 157 ARG N N 116.72 0.25 1 1043 157 ARG H H 6.88 0.01 1 1044 157 ARG CA C 58.26 0.20 1 1045 157 ARG HA H 4.00 0.01 1 1046 157 ARG CB C 29.86 0.20 1 1047 157 ARG HB2 H 1.88 0.01 1 1048 157 ARG HB3 H 1.88 0.01 1 1049 157 ARG HG2 H 1.79 0.01 2 1050 157 ARG HG3 H 1.60 0.01 2 1051 158 ASP N N 116.02 0.25 1 1052 158 ASP H H 7.14 0.01 1 1053 158 ASP CA C 55.36 0.20 1 1054 158 ASP HA H 4.66 0.01 1 1055 158 ASP CB C 41.36 0.20 1 1056 158 ASP HB2 H 2.66 0.01 1 1057 158 ASP HB3 H 2.66 0.01 1 1058 159 LEU N N 121.72 0.25 1 1059 159 LEU H H 7.67 0.01 1 1060 159 LEU CA C 52.66 0.20 1 1061 159 LEU HA H 4.60 0.01 1 1062 159 LEU CB C 41.06 0.20 1 1063 159 LEU HB2 H 1.56 0.01 2 1064 159 LEU HB3 H 1.47 0.01 2 1065 159 LEU HD1 H 0.87 0.01 2 1066 159 LEU HD2 H 0.64 0.01 2 1067 160 ASP N N 116.02 0.25 1 1068 160 ASP H H 7.35 0.01 1 1069 160 ASP CA C 55.06 0.20 1 1070 160 ASP HA H 4.59 0.01 1 1071 160 ASP CB C 40.66 0.20 1 1072 160 ASP HB2 H 2.79 0.01 2 1073 160 ASP HB3 H 2.69 0.01 2 1074 161 ALA N N 119.22 0.25 1 1075 161 ALA H H 7.53 0.01 1 1076 161 ALA CA C 51.96 0.20 1 1077 161 ALA HA H 4.36 0.01 1 1078 161 ALA CB C 19.06 0.20 1 1079 161 ALA HB H 1.34 0.01 1 1080 162 VAL N N 111.62 0.25 1 1081 162 VAL H H 7.11 0.01 1 1082 162 VAL HA H 3.98 0.01 1 1083 162 VAL HB H 2.13 0.01 1 1084 162 VAL HG1 H 0.88 0.01 2 1085 162 VAL HG2 H 0.82 0.01 2 1086 163 ASP N N 118.52 0.25 1 1087 163 ASP H H 8.00 0.01 1 1088 163 ASP CA C 57.06 0.20 1 1089 163 ASP HA H 4.72 0.01 1 1090 163 ASP CB C 43.66 0.20 1 1091 163 ASP HB2 H 2.65 0.01 2 1092 163 ASP HB3 H 2.12 0.01 2 1093 164 LEU N N 119.72 0.25 1 1094 164 LEU H H 7.62 0.01 1 1095 164 LEU CA C 54.26 0.20 1 1096 164 LEU HA H 5.29 0.01 1 1097 164 LEU CB C 46.06 0.20 1 1098 164 LEU HB2 H 1.64 0.01 2 1099 164 LEU HB3 H 1.54 0.01 2 1100 164 LEU HG H 1.04 0.01 1 1101 164 LEU HD1 H 0.87 0.01 2 1102 164 LEU HD2 H 0.82 0.01 2 1103 165 VAL N N 125.92 0.25 1 1104 165 VAL H H 8.89 0.01 1 1105 165 VAL CA C 60.86 0.20 1 1106 165 VAL HA H 4.47 0.01 1 1107 165 VAL CB C 34.66 0.20 1 1108 165 VAL HB H 1.74 0.01 1 1109 165 VAL HG1 H 0.88 0.01 2 1110 165 VAL HG2 H 0.84 0.01 2 1111 166 LEU N N 128.62 0.25 1 1112 166 LEU H H 8.63 0.01 1 1113 166 LEU CA C 53.06 0.20 1 1114 166 LEU HA H 4.89 0.01 1 1115 166 LEU CB C 41.56 0.20 1 1116 166 LEU HB2 H 1.66 0.01 2 1117 166 LEU HB3 H 1.30 0.01 2 1118 166 LEU HG H 1.49 0.01 1 1119 166 LEU HD1 H 0.83 0.01 2 1120 166 LEU HD2 H 0.69 0.01 2 1121 167 ASP N N 120.42 0.25 1 1122 167 ASP H H 8.52 0.01 1 1123 167 ASP CA C 53.06 0.20 1 1124 167 ASP HA H 4.47 0.01 1 1125 167 ASP CB C 42.26 0.20 1 1126 167 ASP HB2 H 2.71 0.01 2 1127 167 ASP HB3 H 2.15 0.01 2 1128 168 ALA N N 130.22 0.25 1 1129 168 ALA H H 8.21 0.01 1 1130 168 ALA CA C 49.96 0.20 1 1131 168 ALA HA H 5.30 0.01 1 1132 168 ALA CB C 19.56 0.20 1 1133 168 ALA HB H 1.26 0.01 1 1134 169 GLY N N 108.72 0.25 1 1135 169 GLY H H 9.01 0.01 1 1136 169 GLY CA C 43.96 0.20 1 1137 169 GLY HA2 H 4.47 0.01 2 1138 169 GLY HA3 H 4.06 0.01 2 1139 170 ASP N N 120.12 0.25 1 1140 170 ASP H H 8.47 0.01 1 1141 170 ASP CA C 54.76 0.20 1 1142 170 ASP HA H 5.04 0.01 1 1143 170 ASP CB C 40.76 0.20 1 1144 170 ASP HB2 H 2.75 0.01 2 1145 170 ASP HB3 H 2.54 0.01 2 1146 171 CYS N N 118.52 0.25 1 1147 171 CYS H H 9.10 0.01 1 1148 171 CYS CA C 59.96 0.20 1 1149 171 CYS HA H 4.25 0.01 1 1150 171 CYS CB C 28.16 0.20 1 1151 171 CYS HB2 H 2.84 0.01 2 1152 172 LEU N N 123.82 0.25 1 1153 172 LEU H H 8.68 0.01 1 1154 172 LEU CA C 55.46 0.20 1 1155 172 LEU HA H 4.26 0.01 1 1156 172 LEU CB C 42.16 0.20 1 1157 172 LEU HB2 H 1.66 0.01 1 1158 172 LEU HB3 H 1.66 0.01 1 1159 172 LEU HD1 H 0.94 0.01 2 1160 172 LEU HD2 H 0.88 0.01 2 1161 173 ASP N N 118.52 0.25 1 1162 173 ASP H H 7.64 0.01 1 1163 173 ASP HA H 4.64 0.01 1 1164 173 ASP HB2 H 2.85 0.01 1 1165 173 ASP HB3 H 2.85 0.01 1 1166 178 THR N N 115.82 0.25 1 1167 178 THR H H 8.03 0.01 1 1168 178 THR CA C 62.06 0.20 1 1169 178 THR HA H 4.18 0.01 1 1170 178 THR CB C 69.46 0.20 1 1171 178 THR HB H 3.95 0.01 1 1172 178 THR HG2 H 1.45 0.01 1 1173 179 VAL N N 129.52 0.25 1 1174 179 VAL H H 9.04 0.01 1 1175 179 VAL CA C 61.26 0.20 1 1176 179 VAL HA H 5.16 0.01 1 1177 179 VAL CB C 32.16 0.20 1 1178 179 VAL HB H 1.93 0.01 1 1179 179 VAL HG1 H 0.91 0.01 2 1180 179 VAL HG2 H 0.84 0.01 2 1181 180 ILE N N 125.42 0.25 1 1182 180 ILE H H 9.07 0.01 1 1183 180 ILE CA C 58.86 0.20 1 1184 180 ILE HA H 4.90 0.01 1 1185 180 ILE CB C 41.66 0.20 1 1186 180 ILE HB H 1.66 0.01 1 1187 180 ILE HG2 H 0.83 0.01 1 1188 180 ILE HG12 H 1.05 0.01 2 1189 180 ILE HG13 H 0.69 0.01 2 1190 180 ILE HD1 H 0.91 0.01 1 1191 181 ASP N N 125.92 0.25 1 1192 181 ASP H H 9.51 0.01 1 1193 181 ASP CA C 53.46 0.20 1 1194 181 ASP HA H 4.89 0.01 1 1195 181 ASP CB C 41.66 0.20 1 1196 181 ASP HB2 H 3.08 0.01 2 1197 181 ASP HB3 H 2.36 0.01 2 1198 182 LEU N N 123.62 0.25 1 1199 182 LEU H H 8.72 0.01 1 1200 182 LEU CA C 53.66 0.20 1 1201 182 LEU HA H 4.89 0.01 1 1202 182 LEU CB C 41.06 0.20 1 1203 182 LEU HB2 H 2.02 0.01 2 1204 182 LEU HB3 H 1.73 0.01 2 1205 182 LEU HD1 H 0.91 0.01 2 1206 182 LEU HD2 H 0.81 0.01 2 1207 183 THR N N 113.52 0.25 1 1208 183 THR H H 9.43 0.01 1 1209 183 THR CA C 63.36 0.20 1 1210 183 THR HA H 4.39 0.01 1 1211 183 THR CB C 68.96 0.20 1 1212 183 THR HB H 4.64 0.01 1 1213 184 VAL N N 113.52 0.25 1 1214 184 VAL H H 6.86 0.01 1 1215 184 VAL CA C 58.66 0.20 1 1216 184 VAL HA H 4.45 0.01 1 1217 184 VAL CB C 34.76 0.20 1 1218 184 VAL HB H 2.00 0.01 1 1219 184 VAL HG1 H 0.86 0.01 2 1220 184 VAL HG2 H 0.78 0.01 2 1221 185 ASN N N 118.12 0.25 1 1222 185 ASN H H 7.94 0.01 1 1223 185 ASN HA H 4.74 0.01 1 1224 185 ASN HB2 H 2.78 0.01 2 1225 185 ASN HB3 H 2.54 0.01 2 1226 187 PRO CA C 62.86 0.20 1 1227 187 PRO HA H 4.64 0.01 1 1228 187 PRO CB C 32.46 0.20 1 1229 187 PRO HB2 H 2.20 0.01 2 1230 188 ARG N N 118.12 0.25 1 1231 188 ARG H H 7.53 0.01 1 1232 188 ARG CA C 53.66 0.20 1 1233 188 ARG HA H 4.76 0.01 1 1234 188 ARG CB C 33.56 0.20 1 1235 188 ARG HB2 H 1.76 0.01 2 1236 188 ARG HB3 H 1.67 0.01 2 1237 188 ARG HG2 H 1.52 0.01 1 1238 188 ARG HG3 H 1.52 0.01 1 1239 189 VAL N N 126.12 0.25 1 1240 189 VAL H H 9.04 0.01 1 1241 189 VAL CA C 62.96 0.20 1 1242 189 VAL HA H 4.15 0.01 1 1243 189 VAL CB C 31.36 0.20 1 1244 189 VAL HB H 2.12 0.01 1 1245 189 VAL HG1 H 0.95 0.01 2 1246 189 VAL HG2 H 0.84 0.01 2 1247 190 LEU N N 127.92 0.25 1 1248 190 LEU H H 8.60 0.01 1 1249 190 LEU HA H 4.45 0.01 1 1250 190 LEU HB2 H 1.58 0.01 2 1251 190 LEU HB3 H 1.42 0.01 2 1252 190 LEU HD1 H 0.92 0.01 2 1253 190 LEU HD2 H 0.84 0.01 2 1254 191 ARG N N 117.62 0.25 1 1255 191 ARG H H 7.52 0.01 1 1256 191 ARG CA C 56.26 0.20 1 1257 191 ARG HA H 4.56 0.01 1 1258 191 ARG CB C 33.56 0.20 1 1259 191 ARG HB2 H 1.74 0.01 2 1260 191 ARG HB3 H 1.68 0.01 2 1261 191 ARG HG2 H 1.52 0.01 1 1262 191 ARG HG3 H 1.52 0.01 1 1263 192 ARG N N 128.62 0.25 1 1264 192 ARG H H 9.06 0.01 1 1265 192 ARG CA C 56.86 0.20 1 1266 192 ARG CB C 29.86 0.20 1 1267 192 ARG HB2 H 1.76 0.01 1 1268 192 ARG HB3 H 1.76 0.01 1 1269 193 GLY N N 115.82 0.25 1 1270 193 GLY H H 8.02 0.01 1 1271 193 GLY CA C 44.36 0.20 1 1272 193 GLY HA2 H 4.28 0.01 2 1273 193 GLY HA3 H 3.40 0.01 2 1274 194 LYS N N 122.72 0.25 1 1275 194 LYS H H 8.79 0.01 1 1276 194 LYS CA C 57.56 0.20 1 1277 194 LYS HA H 3.96 0.01 1 1278 194 LYS CB C 33.36 0.20 1 1279 194 LYS HB2 H 1.58 0.01 2 1280 194 LYS HB3 H 1.49 0.01 2 1281 194 LYS HG2 H 1.36 0.01 2 1282 194 LYS HG3 H 1.28 0.01 2 1283 195 GLY N N 104.82 0.25 1 1284 195 GLY H H 7.40 0.01 1 1285 195 GLY HA2 H 4.08 0.01 2 1286 195 GLY HA3 H 2.56 0.01 2 1287 196 PRO CA C 62.56 0.20 1 1288 196 PRO CB C 32.86 0.20 1 1289 197 LEU N N 121.22 0.25 1 1290 197 LEU H H 8.85 0.01 1 1291 197 LEU CA C 56.16 0.20 1 1292 197 LEU CB C 42.16 0.20 1 1293 198 ASP N N 116.92 0.25 1 1294 198 ASP H H 7.08 0.01 1 1295 199 PRO CA C 64.96 0.20 1 1296 199 PRO CB C 31.56 0.20 1 1297 200 VAL N N 114.62 0.25 1 1298 200 VAL H H 7.84 0.01 1 1299 200 VAL CA C 63.86 0.20 1 1300 200 VAL HA H 3.86 0.01 1 1301 200 VAL CB C 31.36 0.20 1 1302 200 VAL HB H 2.19 0.01 1 1303 200 VAL HG1 H 0.90 0.01 1 1304 200 VAL HG2 H 0.90 0.01 1 1305 201 LEU N N 118.82 0.25 1 1306 201 LEU H H 7.70 0.01 1 1307 201 LEU CA C 55.56 0.20 1 1308 201 LEU HA H 4.23 0.01 1 1309 201 LEU CB C 42.26 0.20 1 1310 201 LEU HB2 H 1.72 0.01 2 1311 201 LEU HB3 H 1.54 0.01 2 1312 201 LEU HG H 1.35 0.01 1 1313 201 LEU HD1 H 0.91 0.01 2 1314 201 LEU HD2 H 0.84 0.01 2 1315 202 LEU N N 118.32 0.25 1 1316 202 LEU H H 7.67 0.01 1 1317 202 LEU CA C 54.96 0.20 1 1318 202 LEU HA H 4.25 0.01 1 1319 202 LEU CB C 41.76 0.20 1 1320 202 LEU HB2 H 1.69 0.01 2 1321 202 LEU HB3 H 1.60 0.01 2 1322 202 LEU HD1 H 0.89 0.01 2 1323 202 LEU HD2 H 0.83 0.01 2 1324 203 ARG N N 119.02 0.25 1 1325 203 ARG H H 7.78 0.01 1 1326 203 ARG CA C 56.26 0.20 1 1327 203 ARG HA H 4.30 0.01 1 1328 203 ARG CB C 30.46 0.20 1 1329 203 ARG HB2 H 1.92 0.01 2 1330 203 ARG HB3 H 1.82 0.01 2 1331 204 GLY N N 108.42 0.25 1 1332 204 GLY H H 8.25 0.01 1 1333 204 GLY CA C 45.06 0.20 1 1334 204 GLY HA2 H 4.64 0.01 2 1335 204 GLY HA3 H 3.98 0.01 2 1336 205 ALA N N 122.92 0.25 1 1337 205 ALA H H 8.05 0.01 1 1338 205 ALA CA C 52.36 0.20 1 1339 205 ALA HA H 4.12 0.01 1 1340 205 ALA CB C 19.26 0.20 1 1341 205 ALA HB H 1.60 0.01 1 1342 206 GLY N N 106.82 0.25 1 1343 206 GLY H H 8.27 0.01 1 1344 206 GLY CA C 45.06 0.20 1 1345 206 GLY HA2 H 4.64 0.01 2 1346 206 GLY HA3 H 3.98 0.01 2 1347 207 ASP N N 120.42 0.25 1 1348 207 ASP H H 8.14 0.01 1 1349 207 ASP CA C 54.26 0.20 1 1350 207 ASP HA H 4.46 0.01 1 1351 207 ASP CB C 41.06 0.20 1 1352 207 ASP HB2 H 2.74 0.01 2 1353 207 ASP HB3 H 2.60 0.01 2 1354 208 VAL N N 122.42 0.25 1 1355 208 VAL H H 7.53 0.01 1 1356 208 VAL HA H 4.68 0.01 1 1357 208 VAL HB H 2.10 0.01 1 1358 208 VAL HG1 H 0.88 0.01 1 1359 208 VAL HG2 H 0.88 0.01 1 stop_ save_