data_6498 #Corrected using PDB structure: 1YSMA # #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 # 51 Q HA 4.23 3.38 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 23 T H 10.72 7.72 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.01 0.36 -0.00 0.19 -1.31 0.15 # #bmr6498.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6498.str file): #HA CA CB CO N HN #N/A +0.18 +0.18 +0.19 -1.31 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.26 +/-0.21 +/-0.18 +/-0.48 +/-0.10 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.522 0.922 0.997 0.677 0.691 -0.197 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.126 0.978 0.778 0.655 1.745 0.346 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 13C, and 15N Chemical Shift Assignments for SIP (1-77) ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Shibani . . 2 Lee Young-Tae . . 3 Michowski Wojciech . . 4 Filipek Anna . . 5 Kuznicki Jacek . . 6 Chazin Walter J. . stop_ _BMRB_accession_number 6498 _BMRB_flat_file_name bmr6498.str _Entry_type new _Submission_date 2005-02-08 _Accession_date 2005-02-09 _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' 471 '15N chemical shifts' 77 '13C chemical shifts' 335 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; The Modular Structure of SIP Facilitates Its Role in Stabilizing Multiprotein Assemblies(,). ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 15996101 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhattacharya Shibani . . 2 Lee Young-Tae . . 3 Michowski Wojciech . . 4 Filipek Anna . . 5 Kuznicki Jacek . . 6 Chazin Walter J. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 27 _Page_first 9462 _Page_last 9471 _Year 2005 save_ ################################## # Molecular system description # ################################## save_system_SIP_(1-77) _Saveframe_category molecular_system _Mol_system_name "Siah-Interacting Protein (Residues 1-77)" _Abbreviation_common "SIP (1-77)" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "SIP N-Domain, SIP (1-77)" $SIP_(1-77) stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function "beta-catenin ubiquitination" stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1YSM ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_SIP_(1-77) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "single chain biopolymer" _Name_variant . _Abbreviation_common "SIP (1-77)" _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; MASVLEELQKDLEEVKVLLE KSTRKRLRDTLTSEKSKIET ELKNKMQQKSQKKPELDNEK PAAVVAPLTTGYTVKIS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 VAL 5 LEU 6 GLU 7 GLU 8 LEU 9 GLN 10 LYS 11 ASP 12 LEU 13 GLU 14 GLU 15 VAL 16 LYS 17 VAL 18 LEU 19 LEU 20 GLU 21 LYS 22 SER 23 THR 24 ARG 25 LYS 26 ARG 27 LEU 28 ARG 29 ASP 30 THR 31 LEU 32 THR 33 SER 34 GLU 35 LYS 36 SER 37 LYS 38 ILE 39 GLU 40 THR 41 GLU 42 LEU 43 LYS 44 ASN 45 LYS 46 MET 47 GLN 48 GLN 49 LYS 50 SER 51 GLN 52 LYS 53 LYS 54 PRO 55 GLU 56 LEU 57 ASP 58 ASN 59 GLU 60 LYS 61 PRO 62 ALA 63 ALA 64 VAL 65 VAL 66 ALA 67 PRO 68 LEU 69 THR 70 THR 71 GLY 72 TYR 73 THR 74 VAL 75 LYS 76 ILE 77 SER stop_ _Sequence_homology_query_date 2005-09-22 _Sequence_homology_query_revised_last_date 2005-09-08 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 1YSM "A Chain A, Nmr Structure Of N-TerminalDomain (Residues 1-77) Of Siah- Interacting Protein" 100.00 77 100 100 8e-35 GenBank AAH25948.1 "Calcyclin binding protein [Musmusculus]" 33.62 229 100 100 8e-35 GenBank AAC16757.1 "calcyclin binding protein [Musmusculus]" 31.17 247 100 100 8e-35 REF NP_033916.1 "calcyclin binding protein [Musmusculus]" 33.62 229 100 100 8e-35 SWISS-PROT Q9CXW3 "CYBP_MOUSE Calcyclin-binding protein(CacyBP) (Siah-interacting protein)" 33.62 229 100 100 8e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SIP_(1-77) Mouse 10090 Eukaryota Metazoa Mus musculus 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 _Details $SIP_(1-77) 'recombinant technology' "E. coli" Escherichia coli BL21(DE3) pET28 ; The gene for SIP (1-77) contained in pET28 Vector was expressed in E. coli BL21(DE3) cells. ; 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 $SIP_(1-77) 1.0 mM "[U-100% 13C; U-100% 15N]" NaPi 20.0 mM . NaCl 50 mM . H2O 90 % . stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SIP_(1-77) 1 mM "[U-100% 13C]" NaPi 20 mM . NaCl 50 mM . D2O 100 % . stop_ save_ save_Sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SIP_(1-77) 1 mM "[U-10% 13C]" NaPi 20 mM . NaCl 50 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 loop_ _Task processing analysis stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N HSQC 1H-13C CT-HSQC 3D-HNCO 3D-HNCACB 3D-CBCA(CO)NH 3D-HC(CCO)NH 3D-(H)CC(CO)NH 3D-HCCH-TOCSY ; save_ ####################### # Sample conditions # ####################### save_Exp_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 pH temperature 303 1 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 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.10132905 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.25144952 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_CSR_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $Sample_1 $Sample_2 $Sample_3 stop_ _Sample_conditions_label $Exp_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "SIP N-Domain, SIP (1-77)" 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 HA H 4.26 0.05 1 2 1 MET HB2 H 1.90 0.05 1 3 1 MET HB3 H 1.90 0.05 1 4 1 MET HG2 H 2.38 0.05 2 5 1 MET HG3 H 2.42 0.05 2 6 1 MET HE H 1.99 0.05 1 7 1 MET C C 176.24 0.50 1 8 1 MET CA C 55.80 0.50 1 9 1 MET CB C 31.85 0.50 1 10 1 MET CG C 32.06 0.50 1 11 1 MET CE C 15.67 0.50 1 12 2 ALA H H 8.30 0.02 1 13 2 ALA HA H 4.18 0.05 1 14 2 ALA HB H 1.30 0.05 1 15 2 ALA C C 178.97 0.50 1 16 2 ALA CA C 53.59 0.50 1 17 2 ALA CB C 18.83 0.50 1 18 2 ALA N N 123.97 0.03 1 19 3 SER H H 8.10 0.02 1 20 3 SER HA H 4.27 0.05 1 21 3 SER HB2 H 3.77 0.05 1 22 3 SER HB3 H 3.77 0.05 1 23 3 SER C C 175.63 0.50 1 24 3 SER CA C 59.26 0.50 1 25 3 SER CB C 63.34 0.50 1 26 3 SER N N 114.01 0.03 1 27 4 VAL H H 7.97 0.02 1 28 4 VAL HA H 3.68 0.05 1 29 4 VAL HB H 2.05 0.05 1 30 4 VAL HG1 H 0.90 0.05 1 31 4 VAL HG2 H 0.95 0.05 1 32 4 VAL C C 176.82 0.50 1 33 4 VAL CA C 65.39 0.50 1 34 4 VAL CB C 31.99 0.50 1 35 4 VAL CG1 C 20.35 0.50 1 36 4 VAL CG2 C 20.35 0.50 1 37 4 VAL N N 121.32 0.03 1 38 5 LEU H H 7.91 0.02 1 39 5 LEU HA H 3.86 0.05 1 40 5 LEU HB2 H 1.41 0.05 1 41 5 LEU HB3 H 1.66 0.05 1 42 5 LEU HG H 1.59 0.05 1 43 5 LEU HD1 H 0.79 0.05 1 44 5 LEU HD2 H 0.93 0.05 1 45 5 LEU C C 178.67 0.50 1 46 5 LEU CA C 58.31 0.50 1 47 5 LEU CB C 41.55 0.50 1 48 5 LEU CG C 27.29 0.50 1 49 5 LEU CD1 C 24.93 0.50 1 50 5 LEU CD2 C 21.55 0.50 1 51 5 LEU N N 119.00 0.03 1 52 6 GLU H H 7.86 0.02 1 53 6 GLU HA H 3.90 0.05 1 54 6 GLU HB2 H 1.99 0.05 2 55 6 GLU HB3 H 2.06 0.05 2 56 6 GLU HG2 H 2.20 0.05 1 57 6 GLU HG3 H 2.20 0.05 1 58 6 GLU C C 179.52 0.50 1 59 6 GLU CA C 59.48 0.50 1 60 6 GLU CB C 29.72 0.50 1 61 6 GLU CG C 35.46 0.50 1 62 6 GLU N N 117.78 0.03 1 63 7 GLU H H 7.89 0.02 1 64 7 GLU HA H 3.85 0.05 1 65 7 GLU HB2 H 1.98 0.05 1 66 7 GLU HB3 H 1.98 0.05 1 67 7 GLU HG2 H 2.25 0.05 2 68 7 GLU HG3 H 2.34 0.05 2 69 7 GLU C C 178.72 0.50 1 70 7 GLU CA C 59.02 0.50 1 71 7 GLU CB C 29.27 0.50 1 72 7 GLU CG C 34.12 0.50 1 73 7 GLU N N 117.14 0.03 1 74 8 LEU H H 7.82 0.02 1 75 8 LEU HA H 4.10 0.05 1 76 8 LEU HB2 H 1.21 0.05 1 77 8 LEU HB3 H 1.95 0.05 1 78 8 LEU HG H 1.74 0.05 1 79 8 LEU HD1 H 0.79 0.05 1 80 8 LEU HD2 H 0.90 0.05 1 81 8 LEU C C 179.67 0.50 1 82 8 LEU CA C 58.82 0.50 1 83 8 LEU CB C 43.07 0.50 1 84 8 LEU CG C 26.40 0.50 1 85 8 LEU CD1 C 26.00 0.50 1 86 8 LEU CD2 C 24.00 0.50 1 87 8 LEU N N 118.95 0.03 1 88 9 GLN H H 8.09 0.02 1 89 9 GLN HA H 3.87 0.05 1 90 9 GLN HB2 H 2.02 0.05 1 91 9 GLN HB3 H 2.21 0.05 1 92 9 GLN HG2 H 2.28 0.05 2 93 9 GLN HG3 H 2.45 0.05 2 94 9 GLN HE21 H 6.57 0.05 2 95 9 GLN HE22 H 7.16 0.05 2 96 9 GLN C C 179.37 0.50 1 97 9 GLN CA C 59.26 0.50 1 98 9 GLN CB C 27.90 0.50 1 99 9 GLN CG C 34.12 0.50 1 100 9 GLN CD C 179.65 0.50 1 101 9 GLN N N 116.72 0.03 1 102 9 GLN NE2 N 110.31 0.03 2 103 10 LYS H H 7.76 0.02 1 104 10 LYS HA H 3.96 0.05 1 105 10 LYS HB2 H 1.91 0.05 1 106 10 LYS HB3 H 1.97 0.05 1 107 10 LYS HG2 H 1.42 0.05 2 108 10 LYS HG3 H 1.66 0.05 2 109 10 LYS HD2 H 1.57 0.05 1 110 10 LYS HD3 H 1.57 0.05 1 111 10 LYS HE2 H 2.80 0.05 2 112 10 LYS HE3 H 3.10 0.05 2 113 10 LYS C C 180.63 0.50 1 114 10 LYS CA C 59.71 0.50 1 115 10 LYS CB C 31.79 0.50 1 116 10 LYS CG C 26.02 0.50 1 117 10 LYS CD C 30.10 0.50 1 118 10 LYS CE C 42.00 0.50 1 119 10 LYS N N 119.05 0.03 1 120 11 ASP H H 8.16 0.02 1 121 11 ASP HA H 4.17 0.05 1 122 11 ASP HB2 H 2.30 0.05 1 123 11 ASP HB3 H 3.15 0.05 1 124 11 ASP C C 177.62 0.50 1 125 11 ASP CA C 58.43 0.50 1 126 11 ASP CB C 40.46 0.50 1 127 11 ASP N N 121.80 0.03 1 128 12 LEU H H 8.35 0.02 1 129 12 LEU HA H 3.98 0.05 1 130 12 LEU HB2 H 1.45 0.05 1 131 12 LEU HB3 H 1.99 0.05 1 132 12 LEU HG H 1.48 0.05 1 133 12 LEU HD1 H 0.85 0.05 1 134 12 LEU HD2 H 0.90 0.05 1 135 12 LEU C C 178.27 0.50 1 136 12 LEU CA C 56.95 0.50 1 137 12 LEU CB C 41.31 0.50 1 138 12 LEU CG C 26.02 0.50 1 139 12 LEU CD1 C 26.02 0.50 1 140 12 LEU CD2 C 24.04 0.50 1 141 12 LEU N N 120.38 0.03 1 142 13 GLU H H 8.14 0.02 1 143 13 GLU HA H 3.86 0.05 1 144 13 GLU HB2 H 1.99 0.05 1 145 13 GLU HB3 H 1.99 0.05 1 146 13 GLU HG2 H 2.25 0.05 2 147 13 GLU HG3 H 2.31 0.05 2 148 13 GLU C C 179.44 0.50 1 149 13 GLU CA C 59.24 0.50 1 150 13 GLU CB C 29.29 0.50 1 151 13 GLU CG C 34.93 0.50 1 152 13 GLU N N 116.15 0.03 1 153 14 GLU H H 7.56 0.02 1 154 14 GLU HA H 4.15 0.05 1 155 14 GLU HB2 H 2.03 0.05 1 156 14 GLU HB3 H 2.03 0.05 1 157 14 GLU HG2 H 1.99 0.05 2 158 14 GLU HG3 H 2.19 0.05 2 159 14 GLU C C 178.22 0.50 1 160 14 GLU CA C 59.94 0.50 1 161 14 GLU CB C 29.51 0.50 1 162 14 GLU CG C 38.56 0.50 1 163 14 GLU N N 116.36 0.03 1 164 15 VAL H H 8.59 0.02 1 165 15 VAL HA H 3.70 0.05 1 166 15 VAL HB H 2.07 0.05 1 167 15 VAL HG1 H 1.06 0.05 1 168 15 VAL HG2 H 1.19 0.05 1 169 15 VAL C C 176.32 0.50 1 170 15 VAL CA C 66.30 0.50 1 171 15 VAL CB C 30.43 0.50 1 172 15 VAL CG1 C 24.45 0.50 1 173 15 VAL CG2 C 20.55 0.50 1 174 15 VAL N N 119.64 0.03 1 175 16 LYS H H 7.47 0.02 1 176 16 LYS HA H 3.80 0.05 1 177 16 LYS HB2 H 1.82 0.05 1 178 16 LYS HB3 H 1.82 0.05 1 179 16 LYS HG2 H 1.26 0.05 2 180 16 LYS HG3 H 1.66 0.05 2 181 16 LYS HD2 H 1.60 0.05 1 182 16 LYS HD3 H 1.60 0.05 1 183 16 LYS HE2 H 2.71 0.05 2 184 16 LYS HE3 H 2.79 0.05 2 185 16 LYS C C 179.29 0.50 1 186 16 LYS CA C 60.82 0.50 1 187 16 LYS CB C 32.22 0.50 1 188 16 LYS CG C 26.52 0.50 1 189 16 LYS CD C 28.33 0.50 1 190 16 LYS CE C 41.02 0.50 1 191 16 LYS N N 118.75 0.03 1 192 17 VAL H H 7.28 0.02 1 193 17 VAL HA H 3.65 0.05 1 194 17 VAL HB H 2.19 0.05 1 195 17 VAL HG1 H 0.89 0.05 1 196 17 VAL HG2 H 1.06 0.05 1 197 17 VAL C C 179.10 0.50 1 198 17 VAL CA C 66.08 0.50 1 199 17 VAL CB C 31.78 0.50 1 200 17 VAL CG1 C 20.48 0.50 1 201 17 VAL CG2 C 21.80 0.50 1 202 17 VAL N N 119.71 0.03 1 203 18 LEU H H 8.42 0.02 1 204 18 LEU HA H 3.78 0.05 1 205 18 LEU HB2 H 1.17 0.05 1 206 18 LEU HB3 H 1.82 0.05 1 207 18 LEU HG H 1.95 0.05 1 208 18 LEU HD1 H 0.66 0.05 1 209 18 LEU HD2 H 0.73 0.05 1 210 18 LEU C C 179.45 0.50 1 211 18 LEU CA C 57.67 0.50 1 212 18 LEU CB C 42.00 0.50 1 213 18 LEU CG C 25.04 0.50 1 214 18 LEU CD1 C 20.89 0.50 1 215 18 LEU CD2 C 26.01 0.50 1 216 18 LEU N N 117.96 0.03 1 217 19 LEU H H 8.37 0.02 1 218 19 LEU HA H 3.81 0.05 1 219 19 LEU HB2 H 1.50 0.05 2 220 19 LEU HB3 H 1.74 0.05 2 221 19 LEU HG H 1.52 0.05 1 222 19 LEU HD1 H 0.74 0.05 1 223 19 LEU HD2 H 0.80 0.05 1 224 19 LEU C C 179.36 0.50 1 225 19 LEU CA C 59.84 0.50 1 226 19 LEU CB C 42.24 0.50 1 227 19 LEU CG C 25.91 0.50 1 228 19 LEU CD1 C 26.07 0.50 1 229 19 LEU CD2 C 25.56 0.50 1 230 19 LEU N N 118.34 0.03 1 231 20 GLU H H 7.38 0.02 1 232 20 GLU HA H 3.98 0.05 1 233 20 GLU HB2 H 2.07 0.05 1 234 20 GLU HB3 H 2.07 0.05 1 235 20 GLU HG2 H 2.23 0.05 2 236 20 GLU HG3 H 2.37 0.05 2 237 20 GLU C C 177.98 0.50 1 238 20 GLU CA C 58.56 0.50 1 239 20 GLU CB C 29.50 0.50 1 240 20 GLU CG C 34.93 0.50 1 241 20 GLU N N 116.64 0.03 1 242 21 LYS H H 7.19 0.02 1 243 21 LYS HA H 4.15 0.05 1 244 21 LYS HB2 H 1.62 0.05 1 245 21 LYS HB3 H 1.79 0.05 1 246 21 LYS HG2 H 1.36 0.05 1 247 21 LYS HG3 H 1.36 0.05 1 248 21 LYS HD2 H 1.45 0.05 1 249 21 LYS HD3 H 1.45 0.05 1 250 21 LYS HE2 H 2.77 0.05 1 251 21 LYS HE3 H 2.77 0.05 1 252 21 LYS C C 176.32 0.50 1 253 21 LYS CA C 55.61 0.50 1 254 21 LYS CB C 33.11 0.50 1 255 21 LYS CG C 24.95 0.50 1 256 21 LYS CD C 28.76 0.50 1 257 21 LYS CE C 41.62 0.50 1 258 21 LYS N N 115.07 0.03 1 259 22 SER H H 7.43 0.02 1 260 22 SER HA H 4.18 0.05 1 261 22 SER HB2 H 3.58 0.05 2 262 22 SER HB3 H 3.65 0.05 2 263 22 SER C C 174.91 0.50 1 264 22 SER CA C 58.80 0.50 1 265 22 SER CB C 64.45 0.50 1 266 22 SER N N 114.04 0.03 1 267 23 THR H H 10.57 0.02 1 268 23 THR HA H 4.11 0.05 1 269 23 THR HB H 4.54 0.05 1 270 23 THR HG2 H 1.07 0.05 1 271 23 THR C C 175.62 0.50 1 272 23 THR CA C 62.19 0.50 1 273 23 THR CB C 70.84 0.50 1 274 23 THR CG2 C 21.67 0.50 1 275 23 THR N N 118.65 0.03 1 276 24 ARG H H 8.89 0.02 1 277 24 ARG HA H 4.38 0.05 1 278 24 ARG HB2 H 2.01 0.05 1 279 24 ARG HB3 H 2.11 0.05 1 280 24 ARG HG2 H 1.69 0.05 2 281 24 ARG HG3 H 1.80 0.05 2 282 24 ARG HD2 H 2.84 0.05 2 283 24 ARG HD3 H 3.02 0.05 2 284 24 ARG HE H 8.01 0.05 1 285 24 ARG C C 176.81 0.50 1 286 24 ARG CA C 52.46 0.50 1 287 24 ARG CB C 27.93 0.50 1 288 24 ARG CG C 25.63 0.50 1 289 24 ARG CD C 39.73 0.50 1 290 24 ARG N N 124.18 0.03 1 291 24 ARG NE N 127.09 0.03 2 292 25 LYS H H 8.96 0.02 1 293 25 LYS HA H 3.65 0.05 1 294 25 LYS HB2 H 1.62 0.05 2 295 25 LYS HB3 H 1.82 0.05 2 296 25 LYS HG2 H 1.24 0.05 2 297 25 LYS HG3 H 1.31 0.05 2 298 25 LYS HD2 H 1.55 0.05 1 299 25 LYS HD3 H 1.55 0.05 1 300 25 LYS HE2 H 2.91 0.05 1 301 25 LYS HE3 H 2.91 0.05 1 302 25 LYS C C 177.22 0.50 1 303 25 LYS CA C 59.35 0.50 1 304 25 LYS CB C 31.52 0.50 1 305 25 LYS CG C 24.27 0.50 1 306 25 LYS CD C 27.83 0.50 1 307 25 LYS CE C 40.99 0.50 1 308 25 LYS N N 127.86 0.03 1 309 26 ARG H H 9.18 0.02 1 310 26 ARG HA H 3.98 0.05 1 311 26 ARG HB2 H 1.21 0.05 1 312 26 ARG HB3 H 1.95 0.05 1 313 26 ARG HG2 H 1.25 0.05 2 314 26 ARG HG3 H 1.51 0.05 2 315 26 ARG HD2 H 2.91 0.05 2 316 26 ARG HD3 H 2.94 0.05 2 317 26 ARG HE H 7.97 0.05 1 318 26 ARG HH11 H 6.39 0.05 1 319 26 ARG HH12 H 6.39 0.05 1 320 26 ARG HH21 H 6.39 0.05 1 321 26 ARG HH22 H 6.39 0.05 1 322 26 ARG C C 178.66 0.50 1 323 26 ARG CA C 59.02 0.50 1 324 26 ARG CB C 30.66 0.50 1 325 26 ARG CG C 25.30 0.50 1 326 26 ARG CD C 43.54 0.50 1 327 26 ARG N N 115.15 0.03 1 328 26 ARG NE N 129.46 0.03 2 329 27 LEU H H 6.61 0.02 1 330 27 LEU HA H 4.02 0.05 1 331 27 LEU HB2 H 1.33 0.05 1 332 27 LEU HB3 H 2.11 0.05 1 333 27 LEU HG H 1.70 0.05 1 334 27 LEU HD1 H 0.81 0.05 1 335 27 LEU HD2 H 0.96 0.05 1 336 27 LEU C C 178.36 0.50 1 337 27 LEU CA C 55.40 0.50 1 338 27 LEU CB C 39.70 0.50 1 339 27 LEU CG C 26.84 0.50 1 340 27 LEU CD1 C 23.58 0.50 1 341 27 LEU CD2 C 24.47 0.50 1 342 27 LEU N N 116.54 0.03 1 343 28 ARG H H 8.59 0.02 1 344 28 ARG HA H 3.66 0.05 1 345 28 ARG HB2 H 1.66 0.05 1 346 28 ARG HB3 H 1.66 0.05 1 347 28 ARG HG2 H 1.29 0.05 2 348 28 ARG HG3 H 1.55 0.05 2 349 28 ARG HD2 H 2.85 0.05 2 350 28 ARG HD3 H 3.03 0.05 2 351 28 ARG C C 180.29 0.50 1 352 28 ARG CA C 60.64 0.50 1 353 28 ARG CB C 32.42 0.50 1 354 28 ARG CG C 26.62 0.50 1 355 28 ARG CD C 41.91 0.50 1 356 28 ARG N N 120.93 0.03 1 357 29 ASP H H 8.92 0.02 1 358 29 ASP HA H 4.26 0.05 1 359 29 ASP HB2 H 2.52 0.05 1 360 29 ASP HB3 H 2.68 0.05 1 361 29 ASP C C 179.21 0.50 1 362 29 ASP CA C 57.66 0.50 1 363 29 ASP CB C 39.26 0.50 1 364 29 ASP N N 121.03 0.03 1 365 30 THR H H 7.54 0.02 1 366 30 THR HA H 3.88 0.05 1 367 30 THR HB H 4.15 0.05 1 368 30 THR HG2 H 1.05 0.05 1 369 30 THR C C 177.02 0.50 1 370 30 THR CA C 66.98 0.50 1 371 30 THR CB C 68.57 0.50 1 372 30 THR CG2 C 20.00 0.50 1 373 30 THR N N 118.14 0.03 1 374 31 LEU H H 8.51 0.02 1 375 31 LEU HA H 3.86 0.05 1 376 31 LEU HB2 H 1.09 0.05 1 377 31 LEU HB3 H 1.95 0.05 1 378 31 LEU HG H 1.70 0.05 1 379 31 LEU HD1 H 0.74 0.05 1 380 31 LEU HD2 H 0.80 0.05 1 381 31 LEU C C 178.51 0.50 1 382 31 LEU CA C 57.89 0.50 1 383 31 LEU CB C 41.75 0.50 1 384 31 LEU CG C 26.00 0.50 1 385 31 LEU CD1 C 22.85 0.50 1 386 31 LEU CD2 C 25.67 0.50 1 387 31 LEU N N 120.41 0.03 1 388 32 THR H H 8.77 0.02 1 389 32 THR HA H 4.23 0.05 1 390 32 THR HB H 3.68 0.05 1 391 32 THR HG2 H 1.16 0.05 1 392 32 THR C C 176.90 0.50 1 393 32 THR CA C 67.87 0.50 1 394 32 THR CB C 67.87 0.50 1 395 32 THR CG2 C 20.19 0.50 1 396 32 THR N N 117.26 0.03 1 397 33 SER H H 7.84 0.02 1 398 33 SER HA H 4.18 0.05 1 399 33 SER HB2 H 3.94 0.05 1 400 33 SER HB3 H 3.94 0.05 1 401 33 SER C C 177.23 0.50 1 402 33 SER CA C 61.34 0.50 1 403 33 SER CB C 62.24 0.50 1 404 33 SER N N 117.10 0.03 1 405 34 GLU H H 7.79 0.02 1 406 34 GLU HA H 4.02 0.05 1 407 34 GLU HB2 H 1.82 0.05 1 408 34 GLU HB3 H 2.07 0.05 1 409 34 GLU HG2 H 2.12 0.05 1 410 34 GLU HG3 H 2.12 0.05 1 411 34 GLU C C 178.13 0.50 1 412 34 GLU CA C 58.96 0.50 1 413 34 GLU CB C 29.29 0.50 1 414 34 GLU CG C 35.46 0.50 1 415 34 GLU N N 121.73 0.03 1 416 35 LYS H H 8.65 0.02 1 417 35 LYS HA H 3.68 0.05 1 418 35 LYS HB2 H 1.74 0.05 1 419 35 LYS HB3 H 2.14 0.05 1 420 35 LYS HG2 H 1.00 0.05 2 421 35 LYS HG3 H 1.26 0.05 2 422 35 LYS HD2 H 1.42 0.05 1 423 35 LYS HD3 H 1.42 0.05 1 424 35 LYS HE2 H 2.65 0.05 2 425 35 LYS HE3 H 2.92 0.05 2 426 35 LYS C C 177.34 0.50 1 427 35 LYS CA C 61.30 0.50 1 428 35 LYS CB C 32.46 0.50 1 429 35 LYS CG C 24.77 0.50 1 430 35 LYS CD C 30.41 0.50 1 431 35 LYS CE C 41.22 0.50 1 432 35 LYS N N 118.97 0.03 1 433 36 SER H H 7.95 0.02 1 434 36 SER HA H 4.23 0.05 1 435 36 SER HB2 H 3.93 0.05 1 436 36 SER HB3 H 3.93 0.05 1 437 36 SER C C 177.41 0.50 1 438 36 SER CA C 61.30 0.50 1 439 36 SER CB C 62.65 0.50 1 440 36 SER N N 112.00 0.03 1 441 37 LYS H H 7.81 0.02 1 442 37 LYS HA H 3.98 0.05 1 443 37 LYS HB2 H 1.78 0.05 1 444 37 LYS HB3 H 1.85 0.05 1 445 37 LYS HG2 H 1.27 0.05 2 446 37 LYS HG3 H 1.54 0.05 2 447 37 LYS HD2 H 1.54 0.05 1 448 37 LYS HD3 H 1.54 0.05 1 449 37 LYS HE2 H 2.77 0.05 1 450 37 LYS HE3 H 2.77 0.05 1 451 37 LYS C C 179.19 0.50 1 452 37 LYS CA C 60.37 0.50 1 453 37 LYS CB C 32.68 0.50 1 454 37 LYS CG C 25.39 0.50 1 455 37 LYS CD C 29.89 0.50 1 456 37 LYS CE C 41.70 0.50 1 457 37 LYS N N 122.60 0.03 1 458 38 ILE H H 8.46 0.02 1 459 38 ILE HA H 3.37 0.05 1 460 38 ILE HB H 1.78 0.05 1 461 38 ILE HG12 H 0.93 0.05 1 462 38 ILE HG13 H 0.93 0.05 1 463 38 ILE HG2 H 0.89 0.05 1 464 38 ILE HD1 H 0.68 0.05 1 465 38 ILE C C 177.88 0.50 1 466 38 ILE CA C 66.05 0.50 1 467 38 ILE CB C 38.37 0.50 1 468 38 ILE CG1 C 24.09 0.50 1 469 38 ILE CG2 C 19.50 0.50 1 470 38 ILE CD1 C 14.04 0.50 1 471 38 ILE N N 120.14 0.03 1 472 39 GLU H H 8.64 0.02 1 473 39 GLU HA H 3.77 0.05 1 474 39 GLU HB2 H 1.81 0.05 1 475 39 GLU HB3 H 2.16 0.05 1 476 39 GLU HG2 H 2.09 0.05 2 477 39 GLU HG3 H 2.47 0.05 2 478 39 GLU C C 179.98 0.50 1 479 39 GLU CA C 60.38 0.50 1 480 39 GLU CB C 29.73 0.50 1 481 39 GLU CG C 38.20 0.50 1 482 39 GLU N N 116.54 0.03 1 483 40 THR H H 8.15 0.02 1 484 40 THR HA H 3.77 0.05 1 485 40 THR HB H 4.25 0.05 1 486 40 THR HG2 H 1.12 0.05 1 487 40 THR C C 175.77 0.50 1 488 40 THR CA C 66.98 0.50 1 489 40 THR CB C 68.77 0.50 1 490 40 THR CG2 C 20.38 0.50 1 491 40 THR N N 116.57 0.03 1 492 41 GLU H H 8.12 0.02 1 493 41 GLU HA H 3.90 0.05 1 494 41 GLU HB2 H 1.95 0.05 1 495 41 GLU HB3 H 2.10 0.05 1 496 41 GLU HG2 H 2.12 0.05 2 497 41 GLU HG3 H 2.38 0.05 2 498 41 GLU C C 179.37 0.50 1 499 41 GLU CA C 59.92 0.50 1 500 41 GLU CB C 30.02 0.50 1 501 41 GLU CG C 36.69 0.50 1 502 41 GLU N N 122.54 0.03 1 503 42 LEU H H 8.61 0.02 1 504 42 LEU HA H 3.77 0.05 1 505 42 LEU HB2 H 1.63 0.05 1 506 42 LEU HB3 H 1.69 0.05 1 507 42 LEU HG H 1.59 0.05 1 508 42 LEU HD1 H 0.79 0.05 1 509 42 LEU HD2 H 0.87 0.05 1 510 42 LEU C C 178.35 0.50 1 511 42 LEU CA C 58.56 0.50 1 512 42 LEU CB C 42.44 0.50 1 513 42 LEU CG C 27.83 0.50 1 514 42 LEU CD1 C 25.72 0.50 1 515 42 LEU CD2 C 23.77 0.50 1 516 42 LEU N N 119.53 0.03 1 517 43 LYS H H 7.86 0.02 1 518 43 LYS HA H 3.85 0.05 1 519 43 LYS HB2 H 1.82 0.05 1 520 43 LYS HB3 H 1.82 0.05 1 521 43 LYS HG2 H 1.30 0.05 2 522 43 LYS HG3 H 1.43 0.05 2 523 43 LYS HD2 H 1.55 0.05 1 524 43 LYS HD3 H 1.55 0.05 1 525 43 LYS HE2 H 2.81 0.05 1 526 43 LYS HE3 H 2.81 0.05 1 527 43 LYS C C 179.37 0.50 1 528 43 LYS CA C 59.48 0.50 1 529 43 LYS CB C 32.01 0.50 1 530 43 LYS CG C 24.88 0.50 1 531 43 LYS CD C 29.59 0.50 1 532 43 LYS CE C 41.91 0.50 1 533 43 LYS N N 117.78 0.03 1 534 44 ASN H H 8.06 0.02 1 535 44 ASN HA H 4.38 0.05 1 536 44 ASN HB2 H 2.71 0.05 2 537 44 ASN HB3 H 2.80 0.05 2 538 44 ASN HD21 H 6.78 0.05 2 539 44 ASN HD22 H 7.45 0.05 2 540 44 ASN C C 178.03 0.50 1 541 44 ASN CA C 55.61 0.50 1 542 44 ASN CB C 38.15 0.50 1 543 44 ASN CG C 176.00 0.50 1 544 44 ASN N N 116.05 0.03 1 545 44 ASN ND2 N 111.97 0.03 2 546 45 LYS H H 8.12 0.02 1 547 45 LYS HA H 4.10 0.05 1 548 45 LYS HB2 H 1.78 0.05 1 549 45 LYS HB3 H 1.78 0.05 1 550 45 LYS HG2 H 1.42 0.05 1 551 45 LYS HG3 H 1.42 0.05 1 552 45 LYS HD2 H 1.54 0.05 1 553 45 LYS HD3 H 1.54 0.05 1 554 45 LYS HE2 H 2.90 0.05 1 555 45 LYS HE3 H 2.90 0.05 1 556 45 LYS C C 178.54 0.50 1 557 45 LYS CA C 57.87 0.50 1 558 45 LYS CB C 32.25 0.50 1 559 45 LYS CG C 25.67 0.50 1 560 45 LYS CD C 28.60 0.50 1 561 45 LYS CE C 42.27 0.50 1 562 45 LYS N N 118.35 0.03 1 563 46 MET H H 8.12 0.02 1 564 46 MET HA H 4.14 0.05 1 565 46 MET HB2 H 1.94 0.05 2 566 46 MET HB3 H 2.04 0.05 2 567 46 MET HG2 H 2.47 0.05 2 568 46 MET HG3 H 2.60 0.05 2 569 46 MET HE H 1.98 0.05 1 570 46 MET C C 177.54 0.50 1 571 46 MET CA C 57.44 0.50 1 572 46 MET CB C 32.46 0.50 1 573 46 MET CG C 31.45 0.50 1 574 46 MET CE C 15.77 0.50 1 575 46 MET N N 117.37 0.03 1 576 47 GLN H H 7.74 0.02 1 577 47 GLN HA H 4.17 0.05 1 578 47 GLN HB2 H 2.02 0.05 1 579 47 GLN HB3 H 2.02 0.05 1 580 47 GLN HG2 H 2.30 0.05 2 581 47 GLN HG3 H 2.36 0.05 2 582 47 GLN HE21 H 6.79 0.05 2 583 47 GLN HE22 H 7.40 0.05 2 584 47 GLN C C 178.35 0.50 1 585 47 GLN CA C 56.77 0.50 1 586 47 GLN CB C 28.83 0.50 1 587 47 GLN CG C 33.81 0.50 1 588 47 GLN CD C 180.40 0.50 1 589 47 GLN N N 117.66 0.03 1 590 47 GLN NE2 N 112.54 0.03 2 591 48 GLN H H 7.91 0.02 1 592 48 GLN HA H 4.11 0.05 1 593 48 GLN HB2 H 1.95 0.05 2 594 48 GLN HB3 H 2.01 0.05 2 595 48 GLN HG2 H 2.29 0.05 2 596 48 GLN HG3 H 2.35 0.05 2 597 48 GLN HE21 H 6.80 0.05 2 598 48 GLN HE22 H 7.40 0.05 2 599 48 GLN C C 176.71 0.50 1 600 48 GLN CA C 56.62 0.50 1 601 48 GLN CB C 29.05 0.50 1 602 48 GLN CG C 35.66 0.50 1 603 48 GLN CD C 180.40 0.50 1 604 48 GLN N N 119.30 0.03 1 605 48 GLN NE2 N 112.77 0.03 2 606 49 LYS H H 8.06 0.02 1 607 49 LYS HA H 4.20 0.05 1 608 49 LYS HB2 H 1.70 0.05 2 609 49 LYS HB3 H 1.76 0.05 2 610 49 LYS HG2 H 1.37 0.05 1 611 49 LYS HG3 H 1.37 0.05 1 612 49 LYS HD2 H 1.60 0.05 1 613 49 LYS HD3 H 1.60 0.05 1 614 49 LYS HE2 H 2.89 0.05 1 615 49 LYS HE3 H 2.89 0.05 1 616 49 LYS C C 176.94 0.50 1 617 49 LYS CA C 56.98 0.50 1 618 49 LYS CB C 32.91 0.50 1 619 49 LYS CG C 27.39 0.50 1 620 49 LYS CD C 27.90 0.50 1 621 49 LYS CE C 41.88 0.50 1 622 49 LYS N N 120.49 0.03 1 623 50 SER H H 8.08 0.02 1 624 50 SER HA H 4.36 0.05 1 625 50 SER HB2 H 3.87 0.05 2 626 50 SER HB3 H 3.96 0.05 2 627 50 SER CA C 58.56 0.50 1 628 50 SER CB C 63.58 0.50 1 629 50 SER N N 115.21 0.03 1 630 51 GLN HA H 4.24 0.05 1 631 51 GLN HB2 H 1.89 0.05 2 632 51 GLN HB3 H 2.03 0.05 2 633 51 GLN HG2 H 2.24 0.05 1 634 51 GLN HG3 H 2.24 0.05 1 635 51 GLN HE21 H 6.79 0.05 2 636 51 GLN HE22 H 7.44 0.05 2 637 51 GLN C C 175.76 0.50 1 638 51 GLN CA C 55.88 0.50 1 639 51 GLN CB C 29.49 0.50 1 640 51 GLN CG C 33.82 0.50 1 641 51 GLN CD C 180.52 0.50 1 642 51 GLN NE2 N 113.07 0.03 2 643 52 LYS H H 8.12 0.02 1 644 52 LYS HA H 4.17 0.05 1 645 52 LYS HB2 H 1.62 0.05 1 646 52 LYS HB3 H 1.62 0.05 1 647 52 LYS HG2 H 1.29 0.05 1 648 52 LYS HG3 H 1.29 0.05 1 649 52 LYS HD2 H 1.56 0.05 1 650 52 LYS HD3 H 1.56 0.05 1 651 52 LYS HE2 H 2.85 0.05 1 652 52 LYS HE3 H 2.85 0.05 1 653 52 LYS C C 176.70 0.50 1 654 52 LYS CA C 56.11 0.50 1 655 52 LYS CB C 33.08 0.50 1 656 52 LYS CG C 24.81 0.50 1 657 52 LYS CD C 29.21 0.50 1 658 52 LYS CE C 40.99 0.50 1 659 52 LYS N N 121.85 0.03 1 660 53 LYS H H 8.27 0.02 1 661 53 LYS HA H 4.46 0.05 1 662 53 LYS HB2 H 1.59 0.05 2 663 53 LYS HB3 H 1.70 0.05 2 664 53 LYS HG2 H 1.32 0.05 1 665 53 LYS HG3 H 1.32 0.05 1 666 53 LYS HD2 H 1.59 0.05 1 667 53 LYS HD3 H 1.59 0.05 1 668 53 LYS HE2 H 2.87 0.05 1 669 53 LYS HE3 H 2.87 0.05 1 670 53 LYS CA C 54.25 0.50 1 671 53 LYS CB C 32.44 0.50 1 672 53 LYS CG C 23.37 0.50 1 673 53 LYS CD C 27.98 0.50 1 674 53 LYS CE C 41.00 0.50 1 675 53 LYS N N 123.71 0.03 1 676 54 PRO HA H 4.26 0.05 1 677 54 PRO HB2 H 1.75 0.05 2 678 54 PRO HB3 H 2.15 0.05 2 679 54 PRO HG2 H 1.89 0.05 1 680 54 PRO HG3 H 1.89 0.05 1 681 54 PRO HD2 H 3.59 0.05 2 682 54 PRO HD3 H 3.71 0.05 2 683 54 PRO C C 177.01 0.50 1 684 54 PRO CA C 63.34 0.50 1 685 54 PRO CB C 31.99 0.50 1 686 54 PRO CG C 26.21 0.50 1 687 54 PRO CD C 49.83 0.50 1 688 55 GLU H H 8.47 0.02 1 689 55 GLU HA H 4.14 0.05 1 690 55 GLU HB2 H 1.82 0.05 2 691 55 GLU HB3 H 1.90 0.05 2 692 55 GLU HG2 H 2.20 0.05 1 693 55 GLU HG3 H 2.20 0.05 1 694 55 GLU C C 176.57 0.50 1 695 55 GLU CA C 56.55 0.50 1 696 55 GLU CB C 29.97 0.50 1 697 55 GLU CG C 35.66 0.50 1 698 55 GLU N N 120.02 0.03 1 699 56 LEU H H 8.06 0.02 1 700 56 LEU HA H 4.22 0.05 1 701 56 LEU HB2 H 1.49 0.05 1 702 56 LEU HB3 H 1.49 0.05 1 703 56 LEU HG H 1.56 0.05 1 704 56 LEU HD1 H 0.78 0.05 2 705 56 LEU HD2 H 0.83 0.05 2 706 56 LEU C C 177.16 0.50 1 707 56 LEU CA C 54.94 0.50 1 708 56 LEU CB C 42.43 0.50 1 709 56 LEU CG C 26.26 0.50 1 710 56 LEU CD1 C 23.50 0.50 2 711 56 LEU CD2 C 25.08 0.50 2 712 56 LEU N N 121.45 0.03 1 713 57 ASP H H 8.22 0.02 1 714 57 ASP HA H 4.46 0.05 1 715 57 ASP HB2 H 2.50 0.05 2 716 57 ASP HB3 H 2.60 0.05 2 717 57 ASP C C 176.16 0.50 1 718 57 ASP CA C 54.47 0.50 1 719 57 ASP CB C 41.08 0.50 1 720 57 ASP N N 120.35 0.03 1 721 58 ASN H H 8.17 0.02 1 722 58 ASN HA H 4.55 0.05 1 723 58 ASN HB2 H 2.65 0.05 2 724 58 ASN HB3 H 2.70 0.05 2 725 58 ASN HD21 H 6.73 0.05 2 726 58 ASN HD22 H 7.45 0.05 2 727 58 ASN C C 175.19 0.50 1 728 58 ASN CA C 53.34 0.50 1 729 58 ASN CB C 39.02 0.50 1 730 58 ASN CG C 177.15 0.50 1 731 58 ASN N N 117.69 0.03 1 732 58 ASN ND2 N 112.91 0.03 2 733 59 GLU H H 8.21 0.02 1 734 59 GLU HA H 4.14 0.05 1 735 59 GLU HB2 H 1.90 0.05 1 736 59 GLU HB3 H 1.90 0.05 1 737 59 GLU HG2 H 2.16 0.05 1 738 59 GLU HG3 H 2.16 0.05 1 739 59 GLU C C 176.20 0.50 1 740 59 GLU CA C 56.53 0.50 1 741 59 GLU CB C 30.19 0.50 1 742 59 GLU CG C 35.33 0.50 1 743 59 GLU N N 120.06 0.03 1 744 60 LYS H H 8.08 0.02 1 745 60 LYS HA H 4.46 0.05 1 746 60 LYS HB2 H 1.58 0.05 1 747 60 LYS HB3 H 1.58 0.05 1 748 60 LYS HG2 H 1.36 0.05 1 749 60 LYS HG3 H 1.36 0.05 1 750 60 LYS HD2 H 1.73 0.05 1 751 60 LYS HD3 H 1.73 0.05 1 752 60 LYS HE2 H 3.06 0.05 1 753 60 LYS HE3 H 3.06 0.05 1 754 60 LYS CA C 54.02 0.50 1 755 60 LYS CB C 32.44 0.50 1 756 60 LYS N N 122.30 0.03 1 757 61 PRO HA H 4.26 0.05 1 758 61 PRO HB2 H 1.74 0.05 2 759 61 PRO HB3 H 2.15 0.05 2 760 61 PRO HG2 H 1.91 0.05 1 761 61 PRO HG3 H 1.91 0.05 1 762 61 PRO HD2 H 3.46 0.05 2 763 61 PRO HD3 H 3.68 0.05 2 764 61 PRO C C 176.70 0.50 1 765 61 PRO CA C 62.88 0.50 1 766 61 PRO CB C 32.06 0.50 1 767 61 PRO CG C 27.63 0.50 1 768 61 PRO CD C 50.69 0.50 1 769 62 ALA H H 8.26 0.02 1 770 62 ALA HA H 4.14 0.05 1 771 62 ALA HB H 1.25 0.05 1 772 62 ALA C C 177.50 0.50 1 773 62 ALA CA C 52.21 0.50 1 774 62 ALA CB C 19.26 0.50 1 775 62 ALA N N 123.90 0.03 1 776 63 ALA H H 8.09 0.02 1 777 63 ALA HA H 4.18 0.05 1 778 63 ALA HB H 1.21 0.05 1 779 63 ALA C C 177.55 0.50 1 780 63 ALA CA C 52.20 0.50 1 781 63 ALA CB C 19.28 0.50 1 782 63 ALA N N 122.32 0.03 1 783 64 VAL H H 7.95 0.02 1 784 64 VAL HA H 3.98 0.05 1 785 64 VAL HB H 1.90 0.05 1 786 64 VAL HG1 H 0.77 0.05 1 787 64 VAL HG2 H 0.77 0.05 1 788 64 VAL C C 176.08 0.50 1 789 64 VAL CA C 62.19 0.50 1 790 64 VAL CB C 32.70 0.50 1 791 64 VAL CG1 C 21.16 0.50 1 792 64 VAL CG2 C 21.16 0.50 1 793 64 VAL N N 118.97 0.03 1 794 65 VAL H H 8.09 0.02 1 795 65 VAL HA H 3.97 0.05 1 796 65 VAL HB H 1.90 0.05 1 797 65 VAL HG1 H 0.77 0.05 1 798 65 VAL HG2 H 0.77 0.05 1 799 65 VAL C C 175.31 0.50 1 800 65 VAL CA C 61.77 0.50 1 801 65 VAL CB C 32.69 0.50 1 802 65 VAL CG1 C 21.01 0.50 1 803 65 VAL CG2 C 21.01 0.50 1 804 65 VAL N N 124.06 0.03 1 805 66 ALA H H 8.23 0.02 1 806 66 ALA HA H 4.50 0.05 1 807 66 ALA HB H 1.25 0.05 1 808 66 ALA CA C 50.19 0.50 1 809 66 ALA CB C 18.16 0.50 1 810 66 ALA N N 128.86 0.03 1 811 67 PRO HA H 4.27 0.05 1 812 67 PRO HB2 H 1.75 0.05 2 813 67 PRO HB3 H 2.12 0.05 2 814 67 PRO HG2 H 1.91 0.05 1 815 67 PRO HG3 H 1.91 0.05 1 816 67 PRO HD2 H 3.52 0.05 2 817 67 PRO HD3 H 3.67 0.05 2 818 67 PRO C C 176.88 0.50 1 819 67 PRO CA C 62.86 0.50 1 820 67 PRO CB C 32.00 0.50 1 821 67 PRO CG C 27.62 0.50 1 822 67 PRO CD C 50.66 0.50 1 823 68 LEU H H 8.20 0.02 1 824 68 LEU HA H 4.24 0.05 1 825 68 LEU HB2 H 1.57 0.05 1 826 68 LEU HB3 H 1.57 0.05 1 827 68 LEU HG H 1.51 0.05 1 828 68 LEU HD1 H 0.78 0.05 2 829 68 LEU HD2 H 0.83 0.05 2 830 68 LEU C C 177.85 0.50 1 831 68 LEU CA C 55.18 0.50 1 832 68 LEU CB C 42.22 0.50 1 833 68 LEU CG C 25.72 0.50 1 834 68 LEU CD1 C 23.02 0.50 1 835 68 LEU CD2 C 23.02 0.50 1 836 68 LEU N N 121.00 0.03 1 837 69 THR H H 8.00 0.02 1 838 69 THR HA H 4.27 0.05 1 839 69 THR HB H 4.10 0.05 1 840 69 THR HG2 H 1.03 0.05 1 841 69 THR C C 174.68 0.50 1 842 69 THR CA C 61.50 0.50 1 843 69 THR CB C 69.69 0.50 1 844 69 THR CG2 C 22.98 0.50 1 845 69 THR N N 113.36 0.03 1 846 70 THR H H 8.09 0.02 1 847 70 THR HA H 4.19 0.05 1 848 70 THR HB H 4.09 0.05 1 849 70 THR HG2 H 1.03 0.05 1 850 70 THR C C 174.91 0.50 1 851 70 THR CA C 61.78 0.50 1 852 70 THR CB C 69.68 0.50 1 853 70 THR CG2 C 22.71 0.50 2 854 70 THR N N 116.72 0.03 1 855 71 GLY H H 8.25 0.02 1 856 71 GLY HA2 H 3.78 0.05 1 857 71 GLY HA3 H 3.78 0.05 1 858 71 GLY C C 173.59 0.50 1 859 71 GLY CA C 45.11 0.50 1 860 71 GLY N N 110.20 0.03 1 861 72 TYR H H 7.87 0.02 1 862 72 TYR HA H 4.51 0.05 1 863 72 TYR HB2 H 2.83 0.05 2 864 72 TYR HB3 H 2.95 0.05 2 865 72 TYR HD1 H 6.83 0.05 1 866 72 TYR HD2 H 6.83 0.05 1 867 72 TYR C C 175.71 0.50 1 868 72 TYR CA C 57.64 0.50 1 869 72 TYR CB C 38.83 0.50 1 870 72 TYR N N 118.91 0.03 1 871 73 THR H H 8.06 0.02 1 872 73 THR HA H 4.24 0.05 1 873 73 THR HB H 4.02 0.05 1 874 73 THR HG2 H 1.03 0.05 1 875 73 THR C C 173.28 0.50 1 876 73 THR CA C 61.52 0.50 1 877 73 THR CB C 69.94 0.50 1 878 73 THR CG2 C 21.66 0.50 1 879 73 THR N N 116.13 0.03 1 880 74 VAL H H 7.66 0.02 1 881 74 VAL CA C 63.58 0.50 1 882 74 VAL CB C 33.13 0.50 1 883 74 VAL N N 125.92 0.03 1 stop_ save_