data_6345 #Corrected using PDB structure: 1WPIA # #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 F HA 4.04 4.89 # 19 N HA 4.29 5.32 # 23 S HA 4.63 3.26 # 39 S HA 4.32 5.40 # 44 V HA 5.10 4.28 # 52 T HA 4.50 3.75 # 53 W HA 4.84 4.09 # 57 Q HA 3.86 2.83 # 58 Y HA 5.03 4.04 # 70 L HA 3.64 4.71 # 76 K HA 4.86 3.83 # 82 K HA 4.60 3.67 # 92 M HA 4.18 3.29 # 93 D HA 4.51 5.81 #100 R HA 4.42 5.73 #102 L HA 4.34 2.72 #111 V HA 4.73 3.87 #121 E HA 4.81 5.63 #132 R HA 4.29 5.72 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 86 T CA 59.95 65.02 # 91 G CA 45.27 50.81 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #120 N CB 44.71 37.42 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 6 T N 114.01 100.74 # 12 R N 126.83 114.26 # 86 T N 103.87 114.09 # 91 G N 114.24 98.95 #100 R N 115.31 132.00 #103 W N 115.88 128.12 #113 W N 123.49 134.85 #120 N N 110.82 124.93 #121 E N 111.74 128.55 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 37 D H 7.14 9.18 # 81 L H 8.14 10.82 #115 N H 7.23 9.67 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.01 -0.34 0.02 0.14 0.08 0.13 # #bmr6345.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6345.str file): #HA CA CB CO N HN #N/A -0.16 -0.16 +0.14 +0.08 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 +/-0.19 +/-0.21 +/-0.19 +/-0.46 +/-0.08 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.573 0.932 0.987 0.687 0.589 0.294 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.190 1.062 1.174 1.019 2.413 0.425 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of YKR049C ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jung Jin-Won . . 2 Lee Chul-Jin . . 3 Yee Adelinda . . 4 Arrowsmith Cheryl H . 5 Tanaka Toshi . . 6 Lee Weontae . . stop_ _BMRB_accession_number 6345 _BMRB_flat_file_name bmr6345.str _Entry_type new _Submission_date 2004-10-11 _Accession_date 2004-10-11 _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' 604 '13C chemical shifts' 506 '15N chemical shifts' 121 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution Structure of YKR049C, a Putative Redox Protein from Saccharomyces cerevisiae. ; _Citation_status published _Citation_type journal _PubMed_ID 16202234 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jung Jin-Won . . 2 Yee Adelinda . . 3 Wu B . . 4 Arrowsmith Cheryl H. . 5 Lee Weontae . . stop_ _Journal_abbreviation "J. Biochem. Mol. Biol." _Journal_volume 38 _Journal_issue 5 _Page_first 550 _Page_last 554 _Year 2005 save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name ykr049c _Abbreviation_common ykr049c _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "ykr049c" $ykr049c_polypeptide stop_ _System_molecular_weight 15650 _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_relation_type _Database_entry_details Swiss-Prot P36141 ? ? ? stop_ save_ ######################## # Monomeric polymers # ######################## save_ykr049c_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ykr049c _Name_variant . _Abbreviation_common ykr049c _Molecular_mass 15650 _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; MSFWKTLQRQPRTISLFTND IASNIKSQKCLQLLKGDVSH RFDVEIANRFPTWDQLQYMR TSCPQGPVSLQRQIPKLDSV LKYKHTDPTFGMDLQKCVQR GLWNPKEALWVDWENKLVGN EPADIDKYIIQRK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 PHE 4 TRP 5 LYS 6 THR 7 LEU 8 GLN 9 ARG 10 GLN 11 PRO 12 ARG 13 THR 14 ILE 15 SER 16 LEU 17 PHE 18 THR 19 ASN 20 ASP 21 ILE 22 ALA 23 SER 24 ASN 25 ILE 26 LYS 27 SER 28 GLN 29 LYS 30 CYS 31 LEU 32 GLN 33 LEU 34 LEU 35 LYS 36 GLY 37 ASP 38 VAL 39 SER 40 HIS 41 ARG 42 PHE 43 ASP 44 VAL 45 GLU 46 ILE 47 ALA 48 ASN 49 ARG 50 PHE 51 PRO 52 THR 53 TRP 54 ASP 55 GLN 56 LEU 57 GLN 58 TYR 59 MET 60 ARG 61 THR 62 SER 63 CYS 64 PRO 65 GLN 66 GLY 67 PRO 68 VAL 69 SER 70 LEU 71 GLN 72 ARG 73 GLN 74 ILE 75 PRO 76 LYS 77 LEU 78 ASP 79 SER 80 VAL 81 LEU 82 LYS 83 TYR 84 LYS 85 HIS 86 THR 87 ASP 88 PRO 89 THR 90 PHE 91 GLY 92 MET 93 ASP 94 LEU 95 GLN 96 LYS 97 CYS 98 VAL 99 GLN 100 ARG 101 GLY 102 LEU 103 TRP 104 ASN 105 PRO 106 LYS 107 GLU 108 ALA 109 LEU 110 TRP 111 VAL 112 ASP 113 TRP 114 GLU 115 ASN 116 LYS 117 LEU 118 VAL 119 GLY 120 ASN 121 GLU 122 PRO 123 ALA 124 ASP 125 ILE 126 ASP 127 LYS 128 TYR 129 ILE 130 ILE 131 GLN 132 ARG 133 LYS stop_ _Sequence_homology_query_date 2006-01-30 _Sequence_homology_query_revised_last_date 2005-12-09 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 1WPI "A Chain A, Solution Structure Of Ykr049c, AHypothetical Protein From Saccharomyces Cerevisiae.Ontario Centre For Structural Proteomics TargetYst0250_1_133; Northeast Structural Genomics TargetYtyst250" 100.00 133 100 100 2e-75 EMBL CAA82127.1 "unnamed protein product [Saccharomycescerevisiae]" 100.00 133 100 100 2e-75 GenBank AAS56642.1 "YKR049C [Saccharomyces cerevisiae]" 100.00 133 100 100 2e-75 REF NP_012975.1 "Mitochondrial protein of unknownfunction; putative redox protein containing athioredoxin fold; Fmp46p [Saccharomyces cerevisiae]" 100.00 133 100 100 2e-75 SWISS-PROT P36141 "YK29_YEAST Hypothetical 15.6 kDa protein inNAP1-TRK2 intergenic region" 100.00 133 100 100 2e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ykr049c_polypeptide "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ykr049c_polypeptide "recombinant technology" "E. coli" Escherichia coli ? ? stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ykr049c_polypeptide 1.5 mM 1.0 1.7 "[U-95% 13C; U-90% 15N]" "Sodium Phosphate" 25 mM ? ? ? "Sodium Chloride" 150 mM ? ? ? DTT 1 mM ? ? ? stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task "data processing" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; HNCACB 1H15N HSQC (example) CBCA(CO)NH HNCO CC(CO)NH H(CCCO)NH HCCH-TOCSY HNCA ; save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.01 pH temperature 298 0.01 K 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 direct internal ? ? ? 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "ykr049c" 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 3 PHE C C 176.10 0.000 . 2 3 PHE CA C 58.67 0.039 . 3 3 PHE CB C 39.16 0.059 . 4 3 PHE HA H 4.03 0.009 . 5 3 PHE HB2 H 3.32 0.005 . 6 3 PHE HB3 H 3.16 0.005 . 7 4 TRP CA C 58.08 0.000 . 8 4 TRP CB C 29.08 0.000 . 9 4 TRP H H 7.81 0.007 . 10 4 TRP N N 120.61 0.016 . 11 5 LYS C C 177.24 0.000 . 12 5 LYS CA C 57.28 0.083 . 13 5 LYS CB C 32.69 0.074 . 14 5 LYS CD C 28.93 0.108 . 15 5 LYS CE C 42.06 0.056 . 16 5 LYS CG C 24.79 0.107 . 17 5 LYS HA H 4.16 0.013 . 18 5 LYS HB3 H 1.65 0.014 . 19 5 LYS HE2 H 2.95 0.009 . 20 5 LYS HG2 H 1.48 0.011 . 21 5 LYS HG3 H 1.26 0.002 . 22 5 LYS HD2 H 1.71 0.012 . 23 6 THR C C 175.00 0.000 . 24 6 THR CA C 62.75 0.015 . 25 6 THR CB C 69.52 0.156 . 26 6 THR CG2 C 21.71 0.004 . 27 6 THR HA H 4.22 0.000 . 28 6 THR HB H 4.21 0.003 . 29 6 THR H H 7.92 0.010 . 30 6 THR N N 114.01 0.119 . 31 6 THR HG2 H 1.20 0.000 . 32 7 LEU C C 177.51 0.000 . 33 7 LEU CA C 55.52 0.052 . 34 7 LEU CB C 42.25 0.120 . 35 7 LEU CD1 C 25.17 0.177 . 36 7 LEU CD2 C 23.38 0.019 . 37 7 LEU HA H 4.24 0.003 . 38 7 LEU HB2 H 1.57 0.018 . 39 7 LEU H H 7.98 0.014 . 40 7 LEU N N 123.15 0.099 . 41 7 LEU HD1 H 0.85 0.006 . 42 7 LEU HD2 H 0.79 0.001 . 44 8 GLN CA C 55.94 0.060 . 45 8 GLN CB C 29.18 0.133 . 46 8 GLN CG C 33.77 0.000 . 47 8 GLN HA H 4.27 0.013 . 48 8 GLN HG2 H 2.33 0.005 . 49 8 GLN H H 8.13 0.009 . 50 8 GLN N N 119.64 0.152 . 51 9 ARG C C 175.81 0.000 . 52 9 ARG CA C 55.88 0.088 . 53 9 ARG CB C 30.64 0.049 . 54 9 ARG CD C 43.31 0.072 . 55 9 ARG HA H 4.33 0.011 . 56 9 ARG HB2 H 1.85 0.017 . 57 9 ARG HD2 H 3.16 0.009 . 58 9 ARG H H 8.11 0.007 . 60 10 GLN CA C 53.60 0.000 . 61 10 GLN CB C 28.60 0.000 . 62 10 GLN H H 8.28 0.008 . 63 10 GLN N N 122.24 0.035 . 64 11 PRO C C 176.14 0.000 . 65 11 PRO CA C 64.06 0.106 . 66 11 PRO CB C 31.94 0.011 . 67 11 PRO CD C 51.02 0.177 . 68 11 PRO CG C 27.57 0.222 . 69 11 PRO HA H 4.39 0.013 . 70 11 PRO HB2 H 1.80 0.000 . 71 11 PRO HB3 H 1.96 0.007 . 72 11 PRO HD2 H 3.60 0.000 . 73 11 PRO HD3 H 3.83 0.009 . 74 11 PRO HG2 H 2.30 0.012 . 75 12 ARG CA C 57.32 0.025 . 76 12 ARG CB C 31.24 0.000 . 77 12 ARG HA H 4.20 0.000 . 78 12 ARG HB2 H 1.92 0.000 . 79 12 ARG HB3 H 1.81 0.000 . 80 12 ARG H H 7.98 0.008 . 81 12 ARG N N 126.83 0.058 . 82 13 THR C C 174.52 0.000 . 83 13 THR CA C 63.20 0.124 . 84 13 THR CB C 71.24 0.194 . 85 13 THR CG2 C 22.19 0.039 . 86 13 THR HA H 5.01 0.018 . 87 13 THR HB H 4.09 0.022 . 88 13 THR HG2 H 1.25 0.017 . 89 14 ILE C C 176.01 0.000 . 90 14 ILE CA C 59.67 0.107 . 91 14 ILE CB C 39.08 0.180 . 92 14 ILE CD1 C 12.30 0.073 . 93 14 ILE CG2 C 16.20 0.136 . 94 14 ILE HA H 5.11 0.007 . 95 14 ILE HB H 1.69 0.010 . 96 14 ILE H H 9.04 0.006 . 97 14 ILE N N 128.82 0.111 . 98 14 ILE HD1 H 0.11 0.009 . 99 14 ILE HG12 H 1.16 0.008 . 100 14 ILE HG2 H 0.64 0.011 . 101 15 SER C C 172.00 0.000 . 102 15 SER CA C 58.66 0.073 . 103 15 SER CB C 63.53 0.077 . 104 15 SER HA H 5.62 0.013 . 105 15 SER HB2 H 3.56 0.013 . 106 15 SER HB3 H 3.77 0.011 . 107 15 SER H H 8.79 0.011 . 108 15 SER N N 122.76 0.049 . 109 16 LEU C C 174.55 0.000 . 110 16 LEU CA C 52.97 0.121 . 111 16 LEU CB C 45.02 0.106 . 112 16 LEU CD1 C 24.19 0.083 . 113 16 LEU CG C 27.75 0.000 . 114 16 LEU HA H 5.18 0.015 . 115 16 LEU HB2 H 1.01 0.006 . 116 16 LEU HB3 H 1.90 0.008 . 117 16 LEU HG H 1.48 0.000 . 118 16 LEU H H 8.95 0.010 . 119 16 LEU N N 126.21 0.090 . 120 16 LEU HD1 H 0.99 0.008 . 121 16 LEU HD2 H 0.94 0.000 . 122 17 PHE C C 176.31 0.000 . 123 17 PHE CA C 56.73 0.108 . 124 17 PHE CB C 40.99 0.112 . 125 17 PHE HA H 5.50 0.012 . 126 17 PHE HB2 H 3.10 0.012 . 127 17 PHE HB3 H 3.54 0.011 . 128 17 PHE H H 9.76 0.011 . 129 17 PHE N N 126.61 0.103 . 130 17 PHE HD2 H 7.32 0.003 . 131 17 PHE HE1 H 7.29 0.016 . 132 18 THR C C 171.36 0.000 . 133 18 THR CA C 58.54 0.108 . 134 18 THR CB C 69.56 0.103 . 135 18 THR CG2 C 19.51 0.078 . 136 18 THR HA H 5.45 0.012 . 137 18 THR HB H 4.15 0.016 . 138 18 THR H H 8.53 0.008 . 139 18 THR N N 116.92 0.037 . 140 18 THR HG2 H 1.07 0.008 . 141 19 ASN C C 174.36 0.000 . 142 19 ASN CA C 55.21 0.105 . 143 19 ASN CB C 36.87 0.088 . 144 19 ASN HA H 4.28 0.009 . 145 19 ASN HB2 H 2.75 0.012 . 146 19 ASN HB3 H 2.13 0.012 . 147 19 ASN H H 9.01 0.008 . 148 19 ASN N N 122.19 0.069 . 149 20 ASP C C 175.85 0.000 . 150 20 ASP CA C 54.93 0.113 . 151 20 ASP CB C 41.28 0.145 . 152 20 ASP HA H 4.54 0.020 . 153 20 ASP HB2 H 2.69 0.010 . 154 20 ASP HB3 H 3.11 0.012 . 155 20 ASP H H 7.44 0.007 . 156 20 ASP N N 116.17 0.041 . 158 21 ILE CA C 60.52 0.087 . 159 21 ILE CB C 38.71 0.101 . 160 21 ILE CD1 C 14.11 0.070 . 161 21 ILE CG1 C 28.59 0.084 . 162 21 ILE CG2 C 18.55 0.055 . 163 21 ILE HA H 4.18 0.011 . 164 21 ILE HB H 1.80 0.012 . 165 21 ILE HG12 H 1.40 0.008 . 166 21 ILE HG13 H 1.28 0.302 . 167 21 ILE H H 9.15 0.009 . 168 21 ILE N N 129.68 0.078 . 169 21 ILE HD1 H 0.94 0.006 . 170 21 ILE HG2 H 0.97 0.009 . 171 22 ALA C C 178.73 0.000 . 172 22 ALA CA C 53.49 0.071 . 173 22 ALA CB C 19.05 0.080 . 174 22 ALA HA H 4.23 0.011 . 175 22 ALA H H 7.97 0.008 . 176 22 ALA N N 120.31 0.063 . 177 22 ALA HB H 1.48 0.008 . 178 23 SER CA C 58.50 0.079 . 179 23 SER CB C 64.90 0.108 . 180 23 SER HA H 4.62 0.014 . 181 23 SER HB2 H 3.95 0.009 . 182 23 SER HB3 H 3.79 0.014 . 183 23 SER H H 7.37 0.009 . 184 23 SER N N 109.15 0.045 . 186 24 ASN CA C 52.58 0.069 . 187 24 ASN CB C 36.82 0.061 . 188 24 ASN HA H 5.05 0.015 . 189 24 ASN HB2 H 2.88 0.011 . 190 24 ASN HB3 H 3.25 0.007 . 191 24 ASN H H 8.05 0.009 . 192 24 ASN N N 122.31 0.063 . 193 25 ILE C C 177.57 0.000 . 194 25 ILE CA C 63.46 0.101 . 195 25 ILE CB C 37.21 0.072 . 196 25 ILE CD1 C 11.65 0.098 . 197 25 ILE CG1 C 28.04 0.110 . 198 25 ILE CG2 C 17.68 0.070 . 199 25 ILE HA H 3.73 0.009 . 200 25 ILE HB H 1.99 0.010 . 201 25 ILE HG12 H 1.47 0.011 . 202 25 ILE HG13 H 1.61 0.008 . 203 25 ILE H H 8.31 0.009 . 204 25 ILE N N 127.69 0.050 . 205 25 ILE HD1 H 0.89 0.007 . 206 25 ILE HG2 H 1.01 0.007 . 207 26 LYS CA C 60.54 0.085 . 208 26 LYS CB C 32.30 0.211 . 209 26 LYS CD C 29.97 0.000 . 210 26 LYS CE C 41.75 0.133 . 211 26 LYS CG C 26.44 0.000 . 212 26 LYS HA H 4.09 0.008 . 213 26 LYS HB2 H 1.99 0.027 . 214 26 LYS HB3 H 1.78 0.018 . 215 26 LYS HE2 H 3.09 0.009 . 216 26 LYS H H 8.73 0.009 . 217 26 LYS N N 123.17 0.059 . 218 27 SER C C 175.32 0.000 . 219 27 SER CA C 62.45 0.078 . 220 27 SER CB C 63.56 0.091 . 221 27 SER HA H 4.12 0.000 . 222 27 SER H H 8.51 0.010 . 223 27 SER N N 115.74 0.081 . 224 28 GLN C C 178.82 0.000 . 225 28 GLN CA C 59.69 0.077 . 226 28 GLN CB C 28.03 0.071 . 227 28 GLN CG C 34.02 0.039 . 228 28 GLN HA H 3.96 0.008 . 229 28 GLN HB2 H 2.28 0.000 . 230 28 GLN HB3 H 2.63 0.004 . 231 28 GLN HG2 H 2.43 0.012 . 232 28 GLN HG3 H 2.65 0.000 . 233 28 GLN H H 8.01 0.011 . 234 28 GLN N N 124.61 0.072 . 235 29 LYS C C 180.28 0.000 . 236 29 LYS CA C 59.12 0.118 . 237 29 LYS CB C 32.16 0.149 . 238 29 LYS CE C 42.09 0.000 . 239 29 LYS CG C 25.45 0.043 . 240 29 LYS HA H 4.12 0.014 . 241 29 LYS HB2 H 2.14 0.008 . 242 29 LYS HB3 H 1.83 0.098 . 243 29 LYS HD2 H 1.60 0.002 . 244 29 LYS H H 8.41 0.009 . 245 29 LYS N N 120.07 0.058 . 246 29 LYS HG2 H 1.60 0.000 . 247 30 CYS C C 176.07 0.000 . 248 30 CYS CA C 64.52 0.172 . 249 30 CYS CB C 27.27 0.123 . 250 30 CYS HA H 3.83 0.009 . 251 30 CYS HB2 H 3.40 0.000 . 252 30 CYS HB3 H 2.15 0.008 . 253 30 CYS H H 7.97 0.009 . 254 30 CYS N N 116.28 0.110 . 255 31 LEU C C 177.73 0.000 . 256 31 LEU CA C 58.06 0.127 . 257 31 LEU CB C 41.55 0.106 . 258 31 LEU CD1 C 26.09 0.000 . 259 31 LEU CD2 C 23.75 0.078 . 260 31 LEU HA H 3.89 0.009 . 261 31 LEU HB2 H 1.42 0.014 . 262 31 LEU HB3 H 2.08 0.013 . 263 31 LEU HG H 1.44 0.005 . 264 31 LEU H H 8.21 0.007 . 265 31 LEU N N 119.95 0.054 . 266 31 LEU HD1 H 0.99 0.000 . 267 31 LEU HD2 H 0.95 0.014 . 268 32 GLN C C 179.51 0.000 . 269 32 GLN CA C 58.88 0.069 . 270 32 GLN CB C 28.16 0.104 . 271 32 GLN CG C 33.73 0.048 . 272 32 GLN HA H 3.89 0.014 . 273 32 GLN HB2 H 2.15 0.015 . 274 32 GLN HG2 H 2.54 0.000 . 275 32 GLN HG3 H 2.40 0.000 . 276 32 GLN H H 8.35 0.010 . 277 32 GLN N N 117.16 0.082 . 278 33 LEU C C 179.80 0.000 . 279 33 LEU CA C 57.32 0.111 . 280 33 LEU CB C 42.76 0.097 . 281 33 LEU CD1 C 27.13 0.062 . 282 33 LEU CD2 C 23.70 0.019 . 283 33 LEU HA H 4.12 0.010 . 284 33 LEU HB2 H 1.26 0.011 . 285 33 LEU HB3 H 1.81 0.018 . 286 33 LEU HG H 1.24 0.011 . 287 33 LEU H H 7.35 0.010 . 288 33 LEU N N 118.19 0.071 . 289 33 LEU HD1 H 0.82 0.004 . 290 33 LEU HD2 H 0.81 0.001 . 291 34 LEU C C 179.27 0.000 . 292 34 LEU CA C 57.78 0.100 . 294 34 LEU CD1 C 25.37 0.111 . 295 34 LEU CD2 C 24.15 0.125 . 296 34 LEU HA H 4.01 0.009 . 297 34 LEU HB2 H 1.50 0.017 . 298 34 LEU HB3 H 2.00 0.011 . 299 34 LEU HG H 1.72 0.000 . 300 34 LEU H H 7.78 0.009 . 301 34 LEU N N 117.96 0.079 . 302 34 LEU HD1 H 0.61 0.008 . 303 34 LEU HD2 H 0.39 0.013 . 304 35 LYS C C 177.48 0.000 . 305 35 LYS CA C 57.02 0.089 . 306 35 LYS CB C 31.54 0.093 . 307 35 LYS CD C 28.51 0.000 . 308 35 LYS CE C 41.58 0.010 . 309 35 LYS CG C 25.24 0.000 . 310 35 LYS HA H 4.25 0.008 . 311 35 LYS HB2 H 1.94 0.017 . 312 35 LYS HB3 H 1.67 0.011 . 313 35 LYS H H 8.66 0.011 . 314 35 LYS N N 116.37 0.072 . 315 36 GLY C C 173.99 0.000 . 316 36 GLY CA C 45.25 0.067 . 317 36 GLY HA2 H 3.84 0.014 . 318 36 GLY HA3 H 4.09 0.014 . 319 36 GLY H H 7.60 0.008 . 320 36 GLY N N 105.99 0.069 . 321 37 ASP C C 176.98 0.000 . 322 37 ASP CA C 54.61 0.068 . 323 37 ASP CB C 42.97 0.114 . 324 37 ASP HA H 4.67 0.012 . 325 37 ASP HB2 H 2.60 0.000 . 326 37 ASP HB3 H 2.76 0.013 . 327 37 ASP H H 7.02 0.012 . 328 37 ASP N N 119.71 0.031 . 329 38 VAL C C 176.65 0.000 . 330 38 VAL CA C 61.58 0.088 . 331 38 VAL CB C 31.43 0.128 . 332 38 VAL CG1 C 21.18 0.095 . 333 38 VAL CG2 C 18.78 0.079 . 334 38 VAL HA H 4.33 0.014 . 335 38 VAL HB H 2.39 0.006 . 336 38 VAL H H 8.37 0.013 . 337 38 VAL N N 120.90 0.098 . 338 38 VAL HG1 H 0.96 0.010 . 339 38 VAL HG2 H 0.89 0.010 . 340 39 SER C C 174.58 0.000 . 341 39 SER CA C 59.41 0.091 . 342 39 SER CB C 64.26 0.085 . 343 39 SER HA H 4.32 0.009 . 344 39 SER HB2 H 3.91 0.007 . 345 39 SER H H 8.22 0.009 . 346 39 SER N N 117.25 0.064 . 347 40 HIS C C 174.43 0.000 . 348 40 HIS CA C 55.98 0.035 . 349 40 HIS CB C 27.34 0.024 . 350 40 HIS HA H 4.31 0.008 . 351 40 HIS HB2 H 3.15 0.019 . 352 40 HIS HB3 H 3.38 0.000 . 353 40 HIS H H 8.10 0.011 . 354 40 HIS N N 117.91 0.095 . 355 41 ARG C C 175.99 0.000 . 356 41 ARG CA C 57.30 0.104 . 357 41 ARG CB C 31.58 0.066 . 358 41 ARG CD C 43.42 0.000 . 359 41 ARG CG C 27.36 0.005 . 360 41 ARG HA H 4.24 0.012 . 361 41 ARG HB2 H 1.90 0.000 . 362 41 ARG H H 8.14 0.009 . 363 41 ARG N N 118.17 0.051 . 364 41 ARG HG2 H 1.69 0.000 . 365 42 PHE C C 173.84 0.000 . 366 42 PHE CA C 55.23 0.123 . 367 42 PHE CB C 41.23 0.067 . 368 42 PHE HA H 5.39 0.004 . 369 42 PHE HB2 H 3.04 0.014 . 370 42 PHE HB3 H 2.88 0.000 . 371 42 PHE H H 7.39 0.013 . 372 42 PHE N N 113.68 0.055 . 373 42 PHE HD2 H 7.08 0.007 . 374 42 PHE HE1 H 6.76 0.006 . 375 43 ASP C C 174.99 0.000 . 376 43 ASP CA C 52.95 0.110 . 377 43 ASP CB C 43.45 0.109 . 378 43 ASP HA H 5.13 0.017 . 379 43 ASP HB2 H 2.68 0.013 . 380 43 ASP HB3 H 2.52 0.008 . 381 43 ASP H H 9.26 0.009 . 382 43 ASP N N 122.16 0.053 . 383 44 VAL C C 175.70 0.000 . 384 44 VAL CA C 61.00 0.145 . 385 44 VAL CB C 33.82 0.154 . 386 44 VAL CG1 C 23.60 0.126 . 387 44 VAL CG2 C 20.85 0.033 . 388 44 VAL HA H 5.10 0.010 . 389 44 VAL HB H 2.00 0.010 . 390 44 VAL H H 8.66 0.008 . 391 44 VAL N N 121.37 0.067 . 392 44 VAL HG1 H 1.05 0.009 . 393 44 VAL HG2 H 0.84 0.008 . 394 45 GLU C C 174.58 0.000 . 395 45 GLU CA C 54.26 0.065 . 396 45 GLU CB C 32.26 0.258 . 397 45 GLU CG C 36.29 0.154 . 398 45 GLU HA H 4.66 0.013 . 399 45 GLU HB2 H 1.84 0.003 . 400 45 GLU HB3 H 2.07 0.018 . 401 45 GLU HG2 H 2.17 0.009 . 402 45 GLU HG3 H 1.88 0.013 . 403 45 GLU H H 9.15 0.010 . 404 45 GLU N N 130.12 0.062 . 405 46 ILE C C 174.79 0.000 . 406 46 ILE CA C 60.88 0.094 . 407 46 ILE CB C 36.79 0.150 . 408 46 ILE CD1 C 13.87 0.093 . 409 46 ILE CG2 C 18.13 0.079 . 410 46 ILE HA H 4.48 0.013 . 411 46 ILE HB H 1.91 0.009 . 412 46 ILE HG13 H 1.61 0.013 . 413 46 ILE H H 8.79 0.009 . 414 46 ILE N N 128.26 0.057 . 415 46 ILE HD1 H 0.95 0.011 . 416 46 ILE HG2 H 0.82 0.008 . 417 47 ALA C C 175.53 0.000 . 418 47 ALA CA C 50.85 0.100 . 419 47 ALA CB C 20.20 0.112 . 420 47 ALA HA H 4.58 0.012 . 421 47 ALA H H 9.19 0.008 . 422 47 ALA N N 134.59 0.073 . 423 47 ALA HB H 0.75 0.010 . 425 48 ASN CA C 52.00 0.097 . 426 48 ASN CB C 40.03 0.109 . 427 48 ASN HA H 5.42 0.009 . 428 48 ASN HB2 H 2.92 0.007 . 429 48 ASN HB3 H 3.17 0.018 . 430 48 ASN HD21 H 7.68 0.008 . 431 48 ASN HD22 H 6.80 0.001 . 432 48 ASN H H 8.60 0.009 . 433 48 ASN N N 120.40 0.084 . 434 48 ASN ND2 N 109.61 0.026 . 435 49 ARG C C 173.69 0.000 . 436 49 ARG CA C 53.93 0.059 . 437 49 ARG CB C 33.50 0.171 . 438 49 ARG CD C 43.30 0.087 . 439 49 ARG HA H 4.80 0.009 . 440 49 ARG HB2 H 1.56 0.019 . 441 49 ARG HB3 H 1.24 0.009 . 442 49 ARG HD2 H 3.30 0.017 . 443 49 ARG H H 7.07 0.009 . 445 50 PHE CA C 56.94 0.013 . 446 50 PHE CB C 39.82 0.136 . 447 50 PHE HA H 3.99 0.014 . 448 50 PHE HB2 H 3.32 0.007 . 449 50 PHE HB3 H 3.58 0.010 . 450 50 PHE H H 9.10 0.008 . 451 50 PHE N N 124.14 0.062 . 452 50 PHE HD2 H 7.75 0.004 . 453 51 PRO C C 174.92 0.000 . 454 51 PRO CA C 62.80 0.141 . 455 51 PRO CB C 32.71 0.006 . 456 51 PRO CD C 49.69 0.130 . 457 51 PRO CG C 26.06 0.000 . 458 51 PRO HA H 4.74 0.000 . 459 51 PRO HB2 H 1.07 0.007 . 460 51 PRO HB3 H 0.79 0.009 . 461 51 PRO HD2 H 2.20 0.010 . 462 51 PRO HD3 H 3.02 0.007 . 463 52 THR C C 174.78 0.000 . 464 52 THR CA C 61.85 0.115 . 465 52 THR CB C 70.50 0.097 . 466 52 THR CG2 C 22.35 0.070 . 467 52 THR HA H 4.49 0.010 . 468 52 THR HB H 4.78 0.015 . 469 52 THR H H 8.40 0.009 . 470 52 THR N N 109.44 0.065 . 471 52 THR HG2 H 1.40 0.015 . 472 53 TRP C C 177.90 0.000 . 473 53 TRP CA C 62.43 0.000 . 474 53 TRP CB C 28.29 0.083 . 475 53 TRP HA H 4.83 0.000 . 476 53 TRP H H 8.93 0.007 . 477 53 TRP N N 122.48 0.136 . 478 54 ASP C C 180.09 0.000 . 479 54 ASP CA C 57.57 0.072 . 480 54 ASP CB C 40.53 0.071 . 481 54 ASP HA H 4.17 0.004 . 482 54 ASP HB2 H 2.54 0.000 . 483 54 ASP HB3 H 2.62 0.000 . 484 54 ASP H H 8.49 0.010 . 485 54 ASP N N 115.34 0.022 . 486 55 GLN C C 178.19 0.000 . 487 55 GLN CA C 59.43 0.092 . 488 55 GLN CB C 29.71 0.134 . 489 55 GLN CG C 35.12 0.000 . 490 55 GLN H H 7.84 0.010 . 491 55 GLN N N 119.73 0.048 . 492 56 LEU C C 178.58 0.000 . 493 56 LEU CA C 58.46 0.117 . 494 56 LEU CB C 42.00 0.054 . 495 56 LEU CD1 C 26.28 0.090 . 496 56 LEU CD2 C 25.45 0.081 . 497 56 LEU HA H 3.80 0.006 . 498 56 LEU HB2 H 1.43 0.023 . 499 56 LEU HG H 1.39 0.013 . 500 56 LEU H H 8.74 0.009 . 501 56 LEU N N 121.04 0.087 . 502 56 LEU HD1 H 0.83 0.008 . 503 56 LEU HD2 H 0.79 0.006 . 504 57 GLN C C 179.24 0.000 . 505 57 GLN CA C 57.90 0.060 . 506 57 GLN CB C 27.15 0.180 . 507 57 GLN HA H 3.85 0.009 . 508 57 GLN HB2 H 1.95 0.016 . 509 57 GLN HB3 H 2.04 0.009 . 510 57 GLN H H 8.36 0.013 . 511 57 GLN N N 116.67 0.142 . 512 58 TYR C C 178.79 0.000 . 513 58 TYR CA C 61.84 0.041 . 514 58 TYR CB C 39.11 0.115 . 515 58 TYR HA H 5.02 0.002 . 516 58 TYR HB2 H 2.96 0.008 . 517 58 TYR HB3 H 2.29 0.005 . 518 58 TYR H H 8.06 0.015 . 519 58 TYR N N 122.58 0.074 . 520 58 TYR HD1 H 6.93 0.012 . 521 58 TYR HE1 H 7.31 0.006 . 522 59 MET C C 176.58 0.000 . 523 59 MET CA C 60.41 0.102 . 524 59 MET CB C 35.83 0.094 . 525 59 MET CE C 17.40 0.035 . 526 59 MET CG C 33.47 0.004 . 527 59 MET HA H 4.08 0.003 . 528 59 MET HB2 H 2.14 0.002 . 529 59 MET HB3 H 1.50 0.000 . 530 59 MET H H 8.29 0.010 . 531 59 MET N N 117.83 0.055 . 532 59 MET HE H 1.68 0.011 . 533 59 MET HG2 H 1.93 0.000 . 534 60 ARG C C 177.75 0.000 . 535 60 ARG CA C 59.28 0.139 . 536 60 ARG CB C 31.17 0.184 . 537 60 ARG CD C 43.66 0.000 . 538 60 ARG HA H 3.59 0.010 . 539 60 ARG HB2 H 1.74 0.002 . 540 60 ARG HB3 H 1.58 0.000 . 541 60 ARG HG2 H 1.55 0.006 . 542 60 ARG H H 8.24 0.012 . 543 60 ARG N N 114.10 0.083 . 545 61 THR CA C 63.50 0.117 . 546 61 THR CB C 70.69 0.190 . 547 61 THR CG2 C 21.35 0.026 . 548 61 THR HA H 4.31 0.011 . 549 61 THR HB H 4.20 0.005 . 550 61 THR H H 8.20 0.008 . 551 61 THR N N 108.00 0.046 . 552 61 THR HG2 H 1.21 0.016 . 553 62 SER C C 172.89 0.000 . 554 62 SER CA C 59.99 0.088 . 555 62 SER CB C 64.37 0.071 . 556 62 SER HA H 4.57 0.012 . 557 62 SER HB2 H 3.47 0.009 . 558 62 SER HB3 H 3.14 0.018 . 559 62 SER H H 7.95 0.008 . 561 63 CYS CA C 54.90 0.094 . 562 63 CYS CB C 29.46 0.133 . 563 63 CYS HA H 5.10 0.012 . 564 63 CYS HB2 H 2.21 0.010 . 565 63 CYS HB3 H 3.47 0.011 . 566 63 CYS H H 6.32 0.010 . 567 63 CYS N N 116.06 0.129 . 569 64 PRO CA C 66.03 0.128 . 571 64 PRO CD C 51.42 0.158 . 572 64 PRO CG C 27.62 0.209 . 573 64 PRO HA H 4.19 0.004 . 574 64 PRO HB2 H 2.02 0.012 . 575 64 PRO HB3 H 2.19 0.014 . 576 64 PRO HD2 H 4.06 0.006 . 577 64 PRO HD3 H 4.16 0.009 . 578 64 PRO HG2 H 2.44 0.011 . 579 65 GLN C C 176.05 0.932 . 580 65 GLN CA C 55.38 0.069 . 581 65 GLN CB C 27.78 0.084 . 582 65 GLN HA H 4.45 0.011 . 583 65 GLN HB2 H 2.22 0.000 . 584 65 GLN HB3 H 2.06 0.000 . 585 65 GLN HG2 H 2.40 0.017 . 586 65 GLN H H 8.56 0.007 . 588 66 GLY CA C 45.23 0.000 . 589 66 GLY HA2 H 3.22 0.011 . 590 66 GLY H H 8.42 0.009 . 591 66 GLY N N 110.53 0.129 . 592 67 PRO C C 178.82 0.000 . 593 67 PRO CA C 67.55 0.156 . 594 67 PRO CB C 31.69 0.003 . 595 67 PRO CG C 28.67 0.000 . 596 67 PRO HA H 3.85 0.007 . 597 67 PRO HB2 H 1.99 0.000 . 598 68 VAL C C 177.86 0.000 . 599 68 VAL CA C 65.30 0.110 . 600 68 VAL CB C 31.60 0.080 . 601 68 VAL CG1 C 22.09 0.071 . 602 68 VAL CG2 C 20.60 0.057 . 603 68 VAL HA H 3.80 0.015 . 604 68 VAL HB H 1.97 0.011 . 605 68 VAL H H 7.74 0.012 . 606 68 VAL N N 115.44 0.076 . 607 68 VAL HG1 H 0.99 0.007 . 608 68 VAL HG2 H 0.93 0.017 . 609 69 SER C C 177.70 0.000 . 610 69 SER CA C 61.00 0.093 . 611 69 SER CB C 63.09 0.074 . 612 69 SER HA H 4.83 0.013 . 613 69 SER HB2 H 3.51 0.010 . 614 69 SER HB3 H 3.17 0.021 . 615 69 SER H H 7.34 0.008 . 616 69 SER N N 117.25 0.074 . 617 70 LEU C C 178.13 0.000 . 618 70 LEU CA C 57.20 0.085 . 619 70 LEU CB C 42.91 0.166 . 620 70 LEU CD1 C 25.47 0.123 . 621 70 LEU CD2 C 22.51 0.191 . 622 70 LEU HA H 3.63 0.012 . 623 70 LEU HB2 H 1.79 0.012 . 624 70 LEU HB3 H 1.09 0.013 . 625 70 LEU HG H 1.57 0.000 . 626 70 LEU H H 8.78 0.010 . 627 70 LEU N N 120.93 0.079 . 628 70 LEU HD1 H 0.55 0.007 . 629 70 LEU HD2 H 0.57 0.006 . 630 71 GLN C C 177.87 0.000 . 631 71 GLN CA C 57.99 0.076 . 632 71 GLN CB C 28.08 0.114 . 633 71 GLN CG C 34.00 0.056 . 634 71 GLN HA H 3.94 0.009 . 635 71 GLN HB2 H 2.10 0.013 . 636 71 GLN HG2 H 2.40 0.016 . 637 71 GLN H H 7.77 0.009 . 638 71 GLN N N 118.49 0.130 . 640 72 ARG CA C 58.72 0.087 . 641 72 ARG CB C 30.10 0.110 . 642 72 ARG CD C 43.35 0.171 . 643 72 ARG CG C 28.20 0.130 . 644 72 ARG HA H 3.89 0.010 . 645 72 ARG HD2 H 3.07 0.014 . 646 72 ARG HG2 H 1.53 0.005 . 647 72 ARG H H 7.22 0.009 . 648 72 ARG N N 115.65 0.031 . 652 73 GLN CG C 32.44 0.000 . 653 73 GLN HA H 3.66 0.012 . 654 73 GLN H H 6.95 0.008 . 656 74 ILE CA C 57.95 0.171 . 657 74 ILE CB C 38.63 0.099 . 658 74 ILE CD1 C 15.15 0.120 . 659 74 ILE CG1 C 27.23 0.380 . 660 74 ILE CG2 C 16.18 0.083 . 661 74 ILE HA H 4.61 0.009 . 662 74 ILE HB H 1.96 0.012 . 663 74 ILE HG12 H 1.08 0.018 . 664 74 ILE HG13 H 1.27 0.007 . 665 74 ILE H H 8.28 0.011 . 667 74 ILE HD1 H 0.66 0.008 . 668 74 ILE HG2 H 1.04 0.008 . 669 75 PRO CD C 50.39 0.137 . 670 75 PRO HB2 H 1.62 0.000 . 671 75 PRO HB3 H 1.88 0.000 . 672 75 PRO HD2 H 3.41 0.004 . 673 75 PRO HD3 H 3.53 0.000 . 674 75 PRO HG2 H 2.42 0.000 . 675 76 LYS C C 176.41 0.000 . 676 76 LYS CA C 54.77 0.121 . 677 76 LYS CB C 31.20 0.153 . 678 76 LYS CE C 42.13 0.000 . 679 76 LYS HA H 4.85 0.009 . 680 76 LYS HB2 H 2.23 0.000 . 681 76 LYS HB3 H 1.56 0.000 . 682 77 LEU C C 176.54 0.000 . 683 77 LEU CA C 58.95 0.136 . 684 77 LEU CB C 41.21 0.041 . 685 77 LEU CD2 C 23.31 0.064 . 686 77 LEU CG C 26.93 0.022 . 687 77 LEU HA H 3.72 0.007 . 688 77 LEU HB2 H 1.58 0.007 . 689 77 LEU H H 7.51 0.010 . 690 77 LEU N N 122.27 0.039 . 691 77 LEU HD1 H 0.91 0.000 . 692 77 LEU HD2 H 0.85 0.010 . 693 78 ASP C C 178.85 0.000 . 694 78 ASP CA C 57.59 0.104 . 695 78 ASP CB C 40.13 0.062 . 696 78 ASP HA H 4.22 0.018 . 697 78 ASP HB3 H 2.61 0.012 . 698 78 ASP H H 8.72 0.007 . 699 78 ASP N N 114.62 0.076 . 700 79 SER C C 176.52 0.000 . 701 79 SER CA C 61.54 0.101 . 702 79 SER CB C 62.77 0.113 . 703 79 SER HA H 4.24 0.007 . 704 79 SER H H 7.61 0.010 . 705 79 SER N N 113.67 0.066 . 706 79 SER HB2 H 3.96 0.014 . 707 80 VAL C C 178.16 0.000 . 708 80 VAL CA C 64.19 0.181 . 709 80 VAL CB C 31.46 0.178 . 710 80 VAL CG1 C 22.65 0.101 . 711 80 VAL CG2 C 21.84 0.120 . 712 80 VAL HA H 3.97 0.001 . 713 80 VAL HB H 2.06 0.017 . 714 80 VAL H H 7.57 0.007 . 715 80 VAL N N 124.11 0.094 . 716 80 VAL HG1 H 0.78 0.010 . 717 80 VAL HG2 H 0.94 0.009 . 718 81 LEU C C 177.99 0.000 . 719 81 LEU CA C 56.60 0.051 . 720 81 LEU CB C 41.07 0.045 . 721 81 LEU CD2 C 22.28 0.081 . 722 81 LEU CG C 25.78 0.000 . 723 81 LEU HA H 4.31 0.000 . 724 81 LEU HB2 H 1.69 0.000 . 725 81 LEU H H 8.02 0.010 . 726 81 LEU N N 115.74 0.088 . 727 81 LEU HD1 H 0.72 0.000 . 728 81 LEU HD2 H 0.68 0.005 . 729 82 LYS C C 177.52 0.000 . 730 82 LYS CA C 55.70 0.109 . 731 82 LYS CB C 32.81 0.084 . 732 82 LYS CD C 29.06 0.000 . 733 82 LYS CE C 42.20 0.000 . 734 82 LYS CG C 25.23 0.000 . 735 82 LYS HA H 4.59 0.000 . 736 82 LYS HD2 H 1.53 0.000 . 737 82 LYS H H 7.46 0.009 . 738 82 LYS N N 116.94 0.071 . 739 83 TYR C C 177.60 0.000 . 740 83 TYR CA C 54.92 0.104 . 741 83 TYR CB C 37.35 0.124 . 742 83 TYR HA H 4.88 0.019 . 743 83 TYR HB2 H 3.82 0.014 . 744 83 TYR HB3 H 3.60 0.007 . 745 83 TYR H H 7.96 0.009 . 746 83 TYR N N 121.86 0.052 . 747 83 TYR HD1 H 7.73 0.000 . 748 83 TYR HE1 H 6.77 0.000 . 749 84 LYS C C 179.51 0.000 . 750 84 LYS CA C 56.45 0.048 . 751 84 LYS CB C 33.03 0.021 . 752 84 LYS CE C 42.00 0.020 . 753 84 LYS CG C 25.26 0.000 . 754 84 LYS HA H 4.34 0.011 . 755 84 LYS HB3 H 1.70 0.000 . 756 84 LYS HE2 H 3.03 0.001 . 757 84 LYS H H 8.89 0.010 . 758 84 LYS N N 119.85 0.056 . 760 85 HIS CA C 57.68 0.102 . 761 85 HIS CB C 28.05 0.044 . 762 85 HIS HA H 3.84 0.002 . 763 85 HIS HB2 H 2.57 0.012 . 764 85 HIS H H 8.55 0.012 . 765 85 HIS N N 119.51 0.133 . 766 86 THR C C 174.74 0.000 . 767 86 THR CA C 60.14 0.094 . 768 86 THR CB C 68.98 0.099 . 769 86 THR CG2 C 21.40 0.066 . 770 86 THR HA H 4.30 0.012 . 771 86 THR H H 6.79 0.008 . 773 86 THR HG2 H 0.92 0.010 . 774 87 ASP CA C 54.09 0.045 . 775 87 ASP CB C 43.56 0.122 . 776 87 ASP HA H 4.54 0.010 . 777 87 ASP HB2 H 2.88 0.014 . 778 87 ASP HB3 H 3.09 0.013 . 779 87 ASP H H 8.11 0.009 . 780 87 ASP N N 126.30 0.076 . 781 88 PRO C C 175.86 0.000 . 782 88 PRO CA C 64.23 0.188 . 783 88 PRO CB C 31.99 0.061 . 784 88 PRO CD C 51.44 0.112 . 785 88 PRO CG C 27.14 0.000 . 786 88 PRO HA H 4.43 0.005 . 787 88 PRO HB2 H 1.96 0.000 . 788 88 PRO HD2 H 3.51 0.007 . 789 88 PRO HD3 H 3.81 0.009 . 790 88 PRO HG2 H 2.45 0.012 . 791 89 THR C C 175.01 0.000 . 792 89 THR CA C 67.32 0.087 . 794 89 THR CG2 C 20.38 0.063 . 795 89 THR HA H 3.38 0.012 . 796 89 THR HB H 2.99 0.018 . 797 89 THR H H 9.17 0.010 . 798 89 THR N N 115.89 0.074 . 799 89 THR HG2 H 0.15 0.012 . 800 90 PHE C C 176.73 0.000 . 801 90 PHE CA C 60.05 0.087 . 802 90 PHE CB C 38.08 0.132 . 803 90 PHE HA H 4.73 0.014 . 804 90 PHE HB2 H 3.26 0.006 . 805 90 PHE HB3 H 3.56 0.009 . 806 90 PHE H H 7.19 0.009 . 807 90 PHE N N 117.32 0.069 . 808 90 PHE HD2 H 8.04 0.003 . 809 90 PHE HE1 H 7.75 0.000 . 810 91 GLY C C 174.01 0.000 . 811 91 GLY CA C 45.46 0.085 . 812 91 GLY HA2 H 4.49 0.014 . 813 91 GLY HA3 H 3.97 0.015 . 814 91 GLY H H 7.64 0.009 . 815 91 GLY N N 114.24 0.068 . 816 92 MET C C 175.69 0.000 . 817 92 MET CA C 56.43 0.094 . 818 92 MET CB C 34.05 0.016 . 819 92 MET CE C 16.40 0.121 . 820 92 MET CG C 32.18 0.094 . 821 92 MET HA H 4.17 0.013 . 822 92 MET HG2 H 2.52 0.012 . 823 92 MET HG3 H 2.89 0.008 . 824 92 MET H H 8.01 0.010 . 825 92 MET N N 123.52 0.076 . 826 92 MET HE H 1.88 0.001 . 827 93 ASP C C 178.35 0.000 . 828 93 ASP CA C 56.00 0.067 . 829 93 ASP CB C 43.12 0.126 . 830 93 ASP HA H 4.50 0.013 . 831 93 ASP HB2 H 2.66 0.011 . 832 93 ASP HB3 H 2.88 0.011 . 833 93 ASP H H 8.58 0.008 . 834 93 ASP N N 125.23 0.066 . 835 94 LEU C C 179.38 0.000 . 836 94 LEU CA C 58.02 0.103 . 837 94 LEU CB C 42.40 0.088 . 838 94 LEU CD1 C 24.58 0.113 . 839 94 LEU CD2 C 21.15 0.090 . 840 94 LEU CG C 26.62 0.002 . 841 94 LEU HA H 3.77 0.011 . 842 94 LEU HB2 H 1.59 0.013 . 843 94 LEU HG H 0.90 0.011 . 844 94 LEU H H 8.79 0.011 . 845 94 LEU N N 126.50 0.069 . 846 94 LEU HD1 H 0.15 0.006 . 847 94 LEU HD2 H -0.45 0.010 . 849 95 GLN CA C 59.62 0.070 . 850 95 GLN CB C 27.83 0.144 . 851 95 GLN CG C 33.52 0.112 . 852 95 GLN HA H 4.37 0.010 . 853 95 GLN HB2 H 2.37 0.011 . 854 95 GLN HB3 H 2.17 0.006 . 855 95 GLN HE21 H 7.65 0.000 . 856 95 GLN HE22 H 7.07 0.000 . 857 95 GLN HG2 H 2.63 0.017 . 858 95 GLN H H 8.92 0.009 . 859 95 GLN N N 120.90 0.059 . 860 95 GLN NE2 N 112.61 0.032 . 861 96 LYS C C 179.72 0.000 . 862 96 LYS CA C 58.93 0.128 . 863 96 LYS CB C 31.96 0.074 . 864 96 LYS CD C 29.24 0.000 . 865 96 LYS CE C 42.00 0.021 . 866 96 LYS CG C 25.52 0.021 . 867 96 LYS HA H 4.24 0.012 . 868 96 LYS HB3 H 2.06 0.013 . 869 96 LYS HD2 H 1.65 0.000 . 870 96 LYS HE2 H 3.06 0.000 . 871 96 LYS HG2 H 1.64 0.000 . 872 96 LYS HG3 H 1.51 0.000 . 873 96 LYS H H 7.59 0.007 . 874 96 LYS N N 120.47 0.052 . 875 97 CYS CA C 64.60 0.142 . 876 97 CYS CB C 26.73 0.096 . 877 97 CYS HA H 3.99 0.009 . 878 97 CYS HB2 H 2.68 0.014 . 879 97 CYS HB3 H 3.28 0.008 . 880 97 CYS H H 7.78 0.010 . 881 97 CYS N N 116.82 0.080 . 882 98 VAL C C 180.26 0.000 . 883 98 VAL CA C 66.38 0.099 . 884 98 VAL CB C 31.94 0.102 . 885 98 VAL CG1 C 23.41 0.097 . 886 98 VAL CG2 C 21.51 0.068 . 887 98 VAL HA H 4.26 0.008 . 888 98 VAL HB H 2.61 0.012 . 889 98 VAL H H 8.71 0.010 . 890 98 VAL N N 122.78 0.097 . 891 98 VAL HG1 H 1.37 0.010 . 892 98 VAL HG2 H 1.17 0.010 . 893 99 GLN C C 177.75 0.000 . 894 99 GLN CA C 58.69 0.119 . 896 99 GLN CG C 33.83 0.048 . 897 99 GLN HA H 4.19 0.018 . 898 99 GLN HB2 H 2.38 0.000 . 899 99 GLN HG2 H 2.38 0.000 . 900 99 GLN HG3 H 2.58 0.000 . 901 99 GLN H H 7.67 0.010 . 902 99 GLN N N 120.74 0.058 . 903 100 ARG C C 176.27 0.000 . 904 100 ARG CA C 56.24 0.094 . 905 100 ARG CB C 31.91 0.100 . 906 100 ARG CD C 43.87 0.000 . 907 100 ARG HA H 4.41 0.011 . 908 100 ARG HB2 H 2.26 0.015 . 909 100 ARG H H 7.64 0.009 . 910 100 ARG N N 115.31 0.042 . 911 101 GLY C C 174.53 0.000 . 912 101 GLY CA C 45.89 0.100 . 913 101 GLY HA2 H 4.13 0.012 . 914 101 GLY HA3 H 4.18 0.010 . 915 101 GLY H H 8.00 0.008 . 916 101 GLY N N 107.87 0.161 . 918 102 LEU CA C 54.63 0.116 . 919 102 LEU CB C 44.71 0.108 . 920 102 LEU CD1 C 26.31 0.075 . 921 102 LEU CD2 C 23.47 0.078 . 922 102 LEU HA H 4.34 0.008 . 923 102 LEU HB2 H 1.75 0.012 . 924 102 LEU HB3 H 1.51 0.009 . 925 102 LEU HG H 1.49 0.013 . 926 102 LEU H H 8.08 0.009 . 927 102 LEU N N 116.10 0.067 . 928 102 LEU HD1 H 0.77 0.015 . 929 102 LEU HD2 H 0.74 0.005 . 930 103 TRP C C 174.69 0.000 . 931 103 TRP CA C 56.22 0.112 . 932 103 TRP CB C 33.45 0.088 . 933 103 TRP HA H 5.12 0.013 . 934 103 TRP HB2 H 3.01 0.017 . 935 103 TRP HB3 H 2.90 0.010 . 936 103 TRP HE3 H 8.30 0.005 . 937 103 TRP H H 7.01 0.008 . 938 103 TRP HZ2 H 8.16 0.011 . 939 103 TRP HZ3 H 7.82 0.000 . 941 104 ASN CA C 50.14 0.088 . 942 104 ASN CB C 38.82 0.069 . 943 104 ASN HA H 4.97 0.013 . 944 104 ASN HB2 H 2.95 0.011 . 945 104 ASN HB3 H 2.46 0.011 . 946 104 ASN H H 8.24 0.010 . 947 104 ASN N N 127.81 0.051 . 948 105 PRO C C 175.87 0.000 . 949 105 PRO CA C 64.02 0.024 . 950 105 PRO CB C 32.31 0.014 . 951 105 PRO CD C 50.57 0.142 . 952 105 PRO CG C 26.75 0.175 . 953 105 PRO HA H 4.62 0.000 . 954 105 PRO HB2 H 2.29 0.016 . 955 105 PRO HB3 H 2.00 0.002 . 956 105 PRO HD2 H 4.17 0.010 . 957 105 PRO HD3 H 4.37 0.005 . 958 106 LYS C C 176.33 0.000 . 959 106 LYS CA C 55.24 0.094 . 960 106 LYS CB C 32.65 0.072 . 961 106 LYS CD C 28.98 0.161 . 962 106 LYS CE C 42.05 0.070 . 963 106 LYS CG C 25.63 0.146 . 964 106 LYS HA H 4.61 0.018 . 965 106 LYS HB2 H 1.77 0.017 . 966 106 LYS HD2 H 2.12 0.012 . 967 106 LYS HD3 H 1.95 0.011 . 968 106 LYS HE2 H 3.06 0.009 . 969 106 LYS H H 7.99 0.011 . 970 106 LYS N N 117.09 0.097 . 971 106 LYS HG2 H 1.51 0.000 . 972 107 GLU C C 173.72 0.000 . 973 107 GLU CA C 53.11 0.058 . 974 107 GLU CB C 33.06 0.000 . 975 107 GLU CG C 35.34 0.122 . 976 107 GLU HA H 5.03 0.007 . 977 107 GLU HB3 H 1.64 0.014 . 978 107 GLU HG2 H 2.35 0.004 . 979 107 GLU H H 7.45 0.007 . 980 107 GLU N N 121.85 0.070 . 981 108 ALA C C 174.57 0.000 . 982 108 ALA CA C 51.32 0.098 . 983 108 ALA CB C 22.96 0.177 . 984 108 ALA HA H 4.80 0.010 . 985 108 ALA H H 9.08 0.009 . 986 108 ALA N N 128.29 0.105 . 987 108 ALA HB H 1.42 0.011 . 988 109 LEU C C 173.83 0.000 . 989 109 LEU CA C 53.91 0.158 . 990 109 LEU CB C 45.18 0.075 . 991 109 LEU CD1 C 26.22 0.091 . 992 109 LEU CD2 C 23.85 0.086 . 993 109 LEU CG C 27.42 0.098 . 994 109 LEU HA H 5.04 0.011 . 995 109 LEU HB2 H 1.84 0.019 . 996 109 LEU HB3 H 1.60 0.007 . 997 109 LEU HG H 1.15 0.014 . 998 109 LEU H H 6.74 0.012 . 999 109 LEU N N 116.78 0.065 . 1000 109 LEU HD1 H 0.32 0.010 . 1001 109 LEU HD2 H 0.38 0.005 . 1002 110 TRP C C 174.60 0.000 . 1003 110 TRP CA C 52.77 0.132 . 1004 110 TRP CB C 32.60 0.180 . 1005 110 TRP HA H 6.05 0.012 . 1006 110 TRP HB2 H 3.04 0.011 . 1007 110 TRP HB3 H 2.85 0.011 . 1008 110 TRP HE3 H 8.79 0.006 . 1009 110 TRP H H 8.79 0.010 . 1010 110 TRP HZ3 H 8.90 0.000 . 1011 110 TRP N N 125.69 0.110 . 1013 111 VAL CA C 59.79 0.118 . 1014 111 VAL CB C 34.24 0.163 . 1015 111 VAL CG1 C 20.19 0.093 . 1016 111 VAL CG2 C 18.45 0.104 . 1017 111 VAL HA H 4.72 0.016 . 1018 111 VAL HB H 1.40 0.010 . 1019 111 VAL H H 8.88 0.012 . 1020 111 VAL N N 115.98 0.070 . 1021 111 VAL HG1 H 0.28 0.014 . 1022 111 VAL HG2 H -0.23 0.005 . 1023 112 ASP C C 176.53 0.000 . 1024 112 ASP CA C 51.46 0.137 . 1025 112 ASP CB C 41.39 0.155 . 1026 112 ASP HA H 5.04 0.013 . 1027 112 ASP HB2 H 3.18 0.014 . 1028 112 ASP HB3 H 2.36 0.013 . 1029 112 ASP H H 9.27 0.007 . 1031 113 TRP CA C 59.44 0.344 . 1032 113 TRP CB C 30.10 0.000 . 1033 113 TRP HA H 3.98 0.009 . 1034 113 TRP HB2 H 3.05 0.036 . 1035 113 TRP HD1 H 7.23 0.000 . 1036 113 TRP HE1 H 10.19 0.000 . 1037 113 TRP HE3 H 6.89 0.000 . 1038 113 TRP H H 7.00 0.012 . 1039 113 TRP HZ2 H 8.18 0.688 . 1040 113 TRP HZ3 H 7.15 0.000 . 1041 113 TRP N N 123.49 0.086 . 1042 113 TRP NE1 N 129.48 0.052 . 1043 114 GLU C C 177.50 0.000 . 1044 114 GLU CA C 59.47 0.071 . 1045 114 GLU CB C 30.18 0.003 . 1046 114 GLU CG C 36.54 0.000 . 1047 114 GLU HA H 4.24 0.000 . 1048 115 ASN CA C 52.71 0.120 . 1049 115 ASN CB C 39.24 0.080 . 1050 115 ASN HA H 5.02 0.011 . 1051 115 ASN HB2 H 2.95 0.008 . 1052 115 ASN HB3 H 2.28 0.006 . 1053 115 ASN H H 7.10 0.012 . 1054 115 ASN N N 112.66 0.060 . 1055 116 LYS C C 175.04 0.000 . 1056 116 LYS CA C 58.15 0.052 . 1057 116 LYS CB C 28.11 0.105 . 1058 116 LYS CE C 42.66 0.061 . 1059 116 LYS CG C 25.55 0.029 . 1060 116 LYS HA H 3.87 0.018 . 1061 116 LYS HB2 H 1.42 0.000 . 1062 116 LYS HB3 H 2.04 0.014 . 1063 116 LYS HG2 H 1.39 0.022 . 1064 116 LYS H H 8.10 0.012 . 1065 116 LYS N N 116.02 0.077 . 1066 117 LEU C C 173.57 0.000 . 1067 117 LEU CA C 53.60 0.106 . 1069 117 LEU CD1 C 25.61 0.110 . 1070 117 LEU CD2 C 24.49 0.100 . 1071 117 LEU HA H 4.63 0.012 . 1072 117 LEU HB2 H 1.55 0.010 . 1073 117 LEU HB3 H 1.71 0.012 . 1074 117 LEU H H 7.27 0.012 . 1075 117 LEU N N 118.29 0.070 . 1076 117 LEU HD1 H 0.92 0.004 . 1077 117 LEU HD2 H 0.82 0.004 . 1078 118 VAL C C 172.84 0.000 . 1079 118 VAL CA C 58.31 0.101 . 1080 118 VAL CB C 35.39 0.183 . 1081 118 VAL CG1 C 23.27 0.118 . 1082 118 VAL CG2 C 22.73 0.075 . 1083 118 VAL HA H 4.26 0.009 . 1084 118 VAL HB H 1.07 0.013 . 1085 118 VAL H H 7.17 0.010 . 1086 118 VAL N N 123.31 0.091 . 1087 118 VAL HG1 H 0.57 0.009 . 1088 118 VAL HG2 H 0.58 0.006 . 1090 119 GLY CA C 44.63 0.142 . 1091 119 GLY HA2 H 3.97 0.015 . 1092 119 GLY HA3 H 3.01 0.007 . 1093 119 GLY H H 6.83 0.009 . 1094 119 GLY N N 109.40 0.053 . 1095 120 ASN C C 175.35 0.000 . 1096 120 ASN CA C 53.80 0.067 . 1097 120 ASN CB C 44.53 0.113 . 1098 120 ASN HA H 5.37 0.017 . 1099 120 ASN HB2 H 2.16 0.014 . 1100 120 ASN HB3 H 3.70 0.007 . 1101 120 ASN H H 8.09 0.011 . 1103 121 GLU CA C 54.15 0.099 . 1104 121 GLU CB C 30.10 0.000 . 1105 121 GLU HA H 4.80 0.020 . 1106 121 GLU H H 8.13 0.009 . 1107 121 GLU N N 111.74 0.042 . 1108 122 PRO C C 178.21 0.000 . 1109 122 PRO CA C 65.51 0.188 . 1110 122 PRO CB C 31.54 0.140 . 1111 122 PRO CD C 51.26 0.095 . 1112 122 PRO CG C 27.49 0.039 . 1113 122 PRO HA H 4.20 0.006 . 1114 122 PRO HB2 H 2.18 0.010 . 1115 122 PRO HB3 H 1.89 0.008 . 1116 122 PRO HD2 H 4.27 0.008 . 1117 122 PRO HD3 H 3.85 0.012 . 1118 122 PRO HG2 H 2.33 0.015 . 1119 123 ALA C C 180.31 0.000 . 1120 123 ALA CA C 55.09 0.170 . 1121 123 ALA CB C 18.68 0.110 . 1122 123 ALA HA H 4.14 0.017 . 1123 123 ALA H H 8.63 0.010 . 1124 123 ALA N N 117.37 0.060 . 1125 123 ALA HB H 1.47 0.013 . 1126 124 ASP C C 178.16 0.000 . 1127 124 ASP CA C 56.56 0.100 . 1128 124 ASP CB C 41.50 0.097 . 1129 124 ASP HA H 4.80 0.014 . 1130 124 ASP HB2 H 3.26 0.004 . 1131 124 ASP H H 7.20 0.011 . 1132 124 ASP N N 116.09 0.069 . 1133 125 ILE C C 179.17 0.000 . 1134 125 ILE CA C 65.00 0.083 . 1135 125 ILE CB C 36.56 0.082 . 1136 125 ILE CD1 C 14.47 0.125 . 1137 125 ILE CG1 C 27.69 0.109 . 1138 125 ILE CG2 C 17.26 0.072 . 1139 125 ILE HA H 2.83 0.016 . 1140 125 ILE HB H 1.91 0.010 . 1141 125 ILE HG12 H 0.46 0.009 . 1142 125 ILE HG13 H -0.95 0.015 . 1143 125 ILE H H 7.36 0.008 . 1144 125 ILE N N 123.08 0.064 . 1145 125 ILE HD1 H 0.15 0.007 . 1146 125 ILE HG2 H 0.42 0.009 . 1147 126 ASP C C 176.75 0.000 . 1148 126 ASP CA C 57.34 0.107 . 1149 126 ASP CB C 41.49 0.109 . 1150 126 ASP HA H 4.35 0.015 . 1151 126 ASP HB2 H 2.78 0.009 . 1152 126 ASP HB3 H 2.53 0.007 . 1153 126 ASP H H 7.45 0.008 . 1154 126 ASP N N 121.12 0.050 . 1155 127 LYS C C 178.06 0.000 . 1156 127 LYS CA C 59.62 0.126 . 1157 127 LYS CB C 33.59 0.102 . 1158 127 LYS CD C 29.36 0.081 . 1159 127 LYS CE C 41.82 0.039 . 1160 127 LYS CG C 24.53 0.106 . 1161 127 LYS HA H 3.69 0.013 . 1162 127 LYS HB2 H 1.56 0.000 . 1163 127 LYS HB3 H 1.24 0.003 . 1164 127 LYS HD2 H 1.44 0.015 . 1165 127 LYS HE2 H 2.79 0.011 . 1166 127 LYS HG2 H 1.09 0.008 . 1167 127 LYS HG3 H 0.57 0.016 . 1168 127 LYS H H 7.51 0.007 . 1169 127 LYS N N 115.00 0.081 . 1170 128 TYR C C 176.11 0.000 . 1171 128 TYR CA C 58.92 0.086 . 1172 128 TYR CB C 39.39 0.085 . 1173 128 TYR HA H 4.66 0.014 . 1174 128 TYR HB2 H 2.90 0.011 . 1175 128 TYR HB3 H 3.33 0.011 . 1176 128 TYR H H 8.14 0.010 . 1177 128 TYR N N 110.86 0.068 . 1178 128 TYR HD1 H 7.37 0.015 . 1179 128 TYR HE1 H 7.16 0.000 . 1180 129 ILE C C 176.76 0.000 . 1181 129 ILE CA C 62.68 0.109 . 1182 129 ILE CB C 38.49 0.101 . 1183 129 ILE CD1 C 14.19 0.114 . 1184 129 ILE CG2 C 17.73 0.096 . 1185 129 ILE HA H 4.13 0.010 . 1186 129 ILE HB H 1.84 0.011 . 1187 129 ILE HG12 H 0.83 0.010 . 1188 129 ILE HG13 H 1.09 0.014 . 1189 129 ILE H H 7.83 0.008 . 1190 129 ILE N N 116.92 0.073 . 1191 129 ILE HD1 H 0.38 0.008 . 1192 129 ILE HG2 H 0.23 0.010 . 1193 130 ILE C C 178.88 0.000 . 1194 130 ILE CA C 62.91 0.065 . 1195 130 ILE CB C 35.25 0.131 . 1196 130 ILE CD1 C 10.18 0.056 . 1197 130 ILE CG2 C 17.62 0.104 . 1198 130 ILE HA H 3.85 0.010 . 1199 130 ILE HB H 2.67 0.017 . 1200 130 ILE H H 8.01 0.009 . 1201 130 ILE N N 119.19 0.073 . 1202 130 ILE HD1 H 0.82 0.005 . 1203 130 ILE HG2 H 1.01 0.007 . 1205 131 GLN CA C 56.10 0.091 . 1206 131 GLN CB C 27.83 0.033 . 1207 131 GLN CG C 33.76 0.075 . 1208 131 GLN HA H 4.19 0.011 . 1209 131 GLN HG2 H 2.33 0.011 . 1210 131 GLN H H 8.26 0.008 . 1211 131 GLN N N 115.90 0.080 . 1215 132 ARG CD C 43.38 0.013 . 1216 132 ARG CG C 27.11 0.089 . 1217 132 ARG HA H 4.28 0.012 . 1218 132 ARG HB2 H 1.67 0.014 . 1219 132 ARG HB3 H 1.81 0.017 . 1220 132 ARG HD2 H 3.27 0.011 . 1221 132 ARG HG2 H 3.17 0.000 . 1222 132 ARG HG3 H 3.39 0.000 . 1223 132 ARG H H 7.09 0.008 . 1227 133 LYS HA H 4.16 0.009 . 1228 133 LYS HB2 H 1.91 0.041 . 1229 133 LYS HB3 H 1.74 0.012 . 1230 133 LYS H H 8.12 0.010 . stop_ save_