data_6176 #Corrected using PDB structure: 1T0YA # #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 # 4 V HA 4.35 5.25 # 52 D HA 2.97 4.38 # 57 L HA 3.41 4.28 # 61 L HA 4.64 3.75 # 62 T HA 4.47 3.42 # 75 D HA 4.31 5.09 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 74 R H 4.96 7.25 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.02 0.19 -0.22 -0.23 0.34 0.04 # #bmr6176.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6176.str file): #HA CA CB CO N HN #N/A -0.01 -0.01 -0.23 +0.34 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.04 +/-0.16 +/-0.23 +/-0.16 +/-0.43 +/-0.08 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.772 0.966 0.993 0.818 0.849 0.629 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.168 0.778 1.023 0.759 2.036 0.362 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a ubiquitin-like domain of tubulin-folding cofactor B ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lytle B. L. . 2 Peterson F. C. . 3 Qui S. H. . 4 Luo M. . . 5 Volkman B. F. . 6 Markley J. L. . stop_ _BMRB_accession_number 6176 _BMRB_flat_file_name bmr6176.str _Entry_type new _Submission_date 2004-04-13 _Accession_date 2004-04-13 _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' 662 '15N chemical shifts' 124 '13C chemical shifts' 502 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of a ubiquitin-like domain of tubulin-folding cofactor B ; _Citation_status 'in preparation' _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lytle B. L. . 2 Peterson F. C. . 3 Qui S. H. . 4 Luo M. . . 5 Volkman B. F. . 6 Markley J. L. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "ubiquitin-like" tubulin microtubule cytoskeleton chaperone "Center for Eukaryotic Structural Genomics" stop_ save_ ################################## # Molecular system description # ################################## save_system_UBL_domain _Saveframe_category molecular_system _Mol_system_name "Ubiquitin-like domain of tubulin-folding cofactor B" _Abbreviation_common "UBL domain" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "ubiquitin-like domain" $UBL_domain stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function chaperone stop_ loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1T0Y ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_UBL_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Ubiquitin-like domain of tubulin-folding cofactor B" _Name_variant . _Abbreviation_common "UBL domain" _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MTEVYDLEITTNATDFPMEK KYPAGMSLNDLKKKLELVVG TTVDSMRIQLFDGDDQLKGE LTDGAKSLKDLGVRDGYRIH AVDVTGGNEDFKDESMVEKY EMSDDTYGKRTDSVRAWKKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 GLU 4 VAL 5 TYR 6 ASP 7 LEU 8 GLU 9 ILE 10 THR 11 THR 12 ASN 13 ALA 14 THR 15 ASP 16 PHE 17 PRO 18 MET 19 GLU 20 LYS 21 LYS 22 TYR 23 PRO 24 ALA 25 GLY 26 MET 27 SER 28 LEU 29 ASN 30 ASP 31 LEU 32 LYS 33 LYS 34 LYS 35 LEU 36 GLU 37 LEU 38 VAL 39 VAL 40 GLY 41 THR 42 THR 43 VAL 44 ASP 45 SER 46 MET 47 ARG 48 ILE 49 GLN 50 LEU 51 PHE 52 ASP 53 GLY 54 ASP 55 ASP 56 GLN 57 LEU 58 LYS 59 GLY 60 GLU 61 LEU 62 THR 63 ASP 64 GLY 65 ALA 66 LYS 67 SER 68 LEU 69 LYS 70 ASP 71 LEU 72 GLY 73 VAL 74 ARG 75 ASP 76 GLY 77 TYR 78 ARG 79 ILE 80 HIS 81 ALA 82 VAL 83 ASP 84 VAL 85 THR 86 GLY 87 GLY 88 ASN 89 GLU 90 ASP 91 PHE 92 LYS 93 ASP 94 GLU 95 SER 96 MET 97 VAL 98 GLU 99 LYS 100 TYR 101 GLU 102 MET 103 SER 104 ASP 105 ASP 106 THR 107 TYR 108 GLY 109 LYS 110 ARG 111 THR 112 ASP 113 SER 114 VAL 115 ARG 116 ALA 117 TRP 118 LYS 119 LYS 120 LYS stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-01 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 1T0Y "A Chain A, Solution Structure Of AUbiquitin-Like Domain Of Tubulin- Folding Cofactor B" 98.36 122 100 100 3e-64 EMBL CAB01212.1 "Hypothetical protein F53F4.3[Caenorhabditis elegans]" 52.40 229 100 100 3e-64 PIR T22581 "hypothetical protein F53F4.3 -Caenorhabditis elegans" 52.40 229 100 100 3e-64 REF NP_506367.1 "tubulin folding cofactor B (5O73)[Caenorhabditis elegans]" 52.40 229 100 100 3e-64 SWISS-PROT Q20728 "YXHK_CAEEL Hypothetical protein F53F4.3 inchromosome V" 52.40 229 100 100 3e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $UBL_domain "C. elegans" 6239 Eukaryota Metazoa Caenorhabditis elegans "5O73 (F53F4.3)" stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $UBL_domain 'recombinant technology' "E. coli" Escherichia coli SG13009[pREP4] plasmid pQE30T ; pQE30T is pQE30 (Qiagen) modified to contain a TEV protease site. ; 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 $UBL_domain 1 mM "[U-13C; U-15N]" NaCl 50 mM . "sodium phosphate buffer" 20 mM . H20 90 % . D20 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.1 loop_ _Task collection stop_ _Details "Bruker Biospin" save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Citation_label $ref-1 save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.1 loop_ _Task analysis stop_ _Citation_label $ref-2 save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 loop_ _Task "peak picking" stop_ _Details "Ralf W. Glaser" save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Task "automated backbone assignments" stop_ _Citation_label $ref-3 save_ save_TALOS _Saveframe_category software _Name TALOS loop_ _Task "generation of torsion angle restraints" stop_ _Citation_label $ref-4 save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.6 loop_ _Task "refinement (torsion angle dynamics)" stop_ _Details "CANDID module used for automated NOE crosspeak assignment" _Citation_label $ref-5 save_ save_XPLOR-NIH _Saveframe_category software _Name XPLOR-NIH _Version 2.0.6 loop_ _Task "refinement (cartesian MD in explicit solvent)" stop_ _Citation_label $ref-6 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N HSQC HNCA HNCO HN(CO)CA HNCACB HN(CA)CO C(CO)NH HCCH-TOCSY 3D 15N-NOESY 3D 13C-NOESY 3D 13C-NOESY-aromatic ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a temperature 298 . K 'ionic strength' 70 . mM 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 . . . 0.101329118 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "ubiquitin-like domain" 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 122.84 0.15 1 2 1 MET H H 8.61 0.02 1 3 1 MET CA C 55.59 0.15 1 4 1 MET CB C 32.89 0.15 1 5 1 MET CG C 32.69 0.15 1 6 1 MET C C 176.07 0.15 1 7 2 THR N N 116.64 0.15 1 8 2 THR H H 8.11 0.02 1 9 2 THR CA C 62.39 0.15 1 10 2 THR HA H 4.20 0.02 1 11 2 THR CB C 69.69 0.15 1 12 2 THR HB H 4.21 0.02 1 13 2 THR HG2 H 1.13 0.02 1 14 2 THR CG2 C 21.79 0.15 1 15 2 THR C C 173.77 0.15 1 16 3 GLU N N 125.74 0.15 1 17 3 GLU H H 8.34 0.02 1 18 3 GLU CA C 56.79 0.15 1 19 3 GLU HA H 4.23 0.02 1 20 3 GLU CB C 30.49 0.15 1 21 3 GLU HB2 H 1.79 0.02 1 22 3 GLU HB3 H 1.79 0.02 1 23 3 GLU CG C 36.29 0.15 1 24 3 GLU HG2 H 2.19 0.02 2 25 3 GLU HG3 H 1.89 0.02 2 26 3 GLU C C 175.27 0.15 1 27 4 VAL N N 124.04 0.15 1 28 4 VAL H H 8.38 0.02 1 29 4 VAL CA C 60.39 0.15 1 30 4 VAL HA H 4.37 0.02 1 31 4 VAL CB C 35.69 0.15 1 32 4 VAL HB H 1.71 0.02 1 33 4 VAL HG1 H 0.63 0.02 2 34 4 VAL HG2 H 0.71 0.02 2 35 4 VAL CG1 C 21.49 0.15 1 36 4 VAL CG2 C 20.19 0.15 1 37 4 VAL C C 174.37 0.15 1 38 5 TYR N N 123.94 0.15 1 39 5 TYR H H 8.86 0.02 1 40 5 TYR CA C 53.69 0.15 1 41 5 TYR HA H 5.41 0.02 1 42 5 TYR CB C 40.69 0.15 1 43 5 TYR HB2 H 2.74 0.02 2 44 5 TYR HB3 H 2.59 0.02 2 45 5 TYR HD1 H 6.71 0.02 1 46 5 TYR HD2 H 6.71 0.02 1 47 5 TYR HE1 H 6.44 0.02 1 48 5 TYR HE2 H 6.44 0.02 1 49 5 TYR CD1 C 130.49 0.15 1 50 5 TYR CE1 C 118.49 0.15 1 51 5 TYR C C 174.67 0.15 1 52 6 ASP N N 124.24 0.15 1 53 6 ASP H H 9.24 0.02 1 54 6 ASP CA C 54.19 0.15 1 55 6 ASP HA H 4.96 0.02 1 56 6 ASP CB C 40.89 0.15 1 57 6 ASP HB2 H 2.78 0.02 2 58 6 ASP HB3 H 2.61 0.02 2 59 6 ASP C C 174.87 0.15 1 60 7 LEU N N 125.64 0.15 1 61 7 LEU H H 8.92 0.02 1 62 7 LEU CA C 53.49 0.15 1 63 7 LEU HA H 5.16 0.02 1 64 7 LEU CB C 46.19 0.15 1 65 7 LEU HB2 H 1.65 0.02 2 66 7 LEU HB3 H 1.36 0.02 2 67 7 LEU CG C 26.69 0.15 1 68 7 LEU HG H 1.66 0.02 1 69 7 LEU HD1 H 0.87 0.02 2 70 7 LEU HD2 H 0.79 0.02 2 71 7 LEU CD1 C 26.29 0.15 1 72 7 LEU CD2 C 24.99 0.15 1 73 7 LEU C C 175.97 0.15 1 74 8 GLU N N 120.74 0.15 1 75 8 GLU H H 8.12 0.02 1 76 8 GLU CA C 54.79 0.15 1 77 8 GLU HA H 5.04 0.02 1 78 8 GLU CB C 32.29 0.15 1 79 8 GLU HB2 H 1.87 0.02 2 80 8 GLU HB3 H 1.82 0.02 2 81 8 GLU CG C 36.39 0.15 1 82 8 GLU C C 174.67 0.15 1 83 9 ILE N N 124.84 0.15 1 84 9 ILE H H 9.13 0.02 1 85 9 ILE CA C 58.49 0.15 1 86 9 ILE HA H 5.53 0.02 1 87 9 ILE CB C 39.19 0.15 1 88 9 ILE HB H 2.00 0.02 1 89 9 ILE HG2 H 0.84 0.02 1 90 9 ILE CG2 C 17.89 0.15 1 91 9 ILE CG1 C 28.09 0.15 1 92 9 ILE HG12 H 1.50 0.02 2 93 9 ILE HG13 H 1.44 0.02 2 94 9 ILE HD1 H 0.85 0.02 1 95 9 ILE CD1 C 12.39 0.15 1 96 9 ILE C C 176.37 0.15 1 97 10 THR N N 119.74 0.15 1 98 10 THR H H 9.47 0.02 1 99 10 THR CA C 60.09 0.15 1 100 10 THR HA H 4.84 0.02 1 101 10 THR CB C 71.29 0.15 1 102 10 THR HB H 4.55 0.02 1 103 10 THR HG2 H 1.02 0.02 1 104 10 THR CG2 C 22.39 0.15 1 105 10 THR C C 173.17 0.15 1 106 11 THR N N 109.74 0.15 1 107 11 THR H H 8.35 0.02 1 108 11 THR CA C 59.59 0.15 1 109 11 THR HA H 5.12 0.02 1 110 11 THR CB C 72.29 0.15 1 111 11 THR HB H 4.51 0.02 1 112 11 THR HG2 H 1.10 0.02 1 113 11 THR CG2 C 21.19 0.15 1 114 11 THR C C 174.27 0.15 1 115 12 ASN N N 117.04 0.15 1 116 12 ASN H H 8.50 0.02 1 117 12 ASN CA C 54.49 0.15 1 118 12 ASN HA H 4.83 0.02 1 119 12 ASN CB C 38.39 0.15 1 120 12 ASN HB2 H 3.08 0.02 2 121 12 ASN HB3 H 2.82 0.02 2 122 12 ASN ND2 N 114.60 0.15 1 123 12 ASN HD21 H 7.97 0.02 2 124 12 ASN HD22 H 7.35 0.02 2 125 12 ASN C C 174.97 0.15 1 126 13 ALA N N 122.34 0.15 1 127 13 ALA H H 8.42 0.02 1 128 13 ALA CA C 52.69 0.15 1 129 13 ALA HA H 4.48 0.02 1 130 13 ALA HB H 1.43 0.02 1 131 13 ALA CB C 20.79 0.15 1 132 13 ALA C C 176.87 0.15 1 133 14 THR N N 110.44 0.15 1 134 14 THR H H 7.32 0.02 1 135 14 THR CA C 60.19 0.15 1 136 14 THR HA H 4.50 0.02 1 137 14 THR CB C 70.99 0.15 1 138 14 THR HB H 4.17 0.02 1 139 14 THR HG2 H 1.13 0.02 1 140 14 THR CG2 C 21.79 0.15 1 141 14 THR C C 173.87 0.15 1 142 15 ASP N N 121.74 0.15 1 143 15 ASP H H 8.45 0.02 1 144 15 ASP CA C 54.59 0.15 1 145 15 ASP HA H 4.64 0.02 1 146 15 ASP CB C 41.19 0.15 1 147 15 ASP HB2 H 2.48 0.02 1 148 15 ASP HB3 H 2.48 0.02 1 149 15 ASP C C 175.27 0.15 1 150 16 PHE N N 118.94 0.15 1 151 16 PHE H H 7.63 0.02 1 152 16 PHE CA C 54.99 0.15 1 153 16 PHE HA H 5.01 0.02 1 154 16 PHE CB C 39.89 0.15 1 155 16 PHE HB2 H 3.14 0.02 2 156 16 PHE HB3 H 2.92 0.02 2 157 16 PHE HD1 H 7.27 0.02 1 158 16 PHE HD2 H 7.27 0.02 1 159 16 PHE HE1 H 7.35 0.02 1 160 16 PHE HE2 H 7.35 0.02 1 161 16 PHE CD1 C 132.59 0.15 1 162 16 PHE CE1 C 131.39 0.15 1 163 16 PHE C C 173.27 0.15 1 164 17 PRO CD C 50.89 0.15 1 165 17 PRO CA C 62.59 0.15 1 166 17 PRO HA H 4.64 0.02 1 167 17 PRO CB C 32.79 0.15 1 168 17 PRO HB2 H 2.01 0.02 2 169 17 PRO HB3 H 1.81 0.02 2 170 17 PRO CG C 27.29 0.15 1 171 17 PRO HG2 H 1.98 0.02 2 172 17 PRO HG3 H 1.85 0.02 2 173 17 PRO HD2 H 3.85 0.02 2 174 17 PRO HD3 H 3.60 0.02 2 175 17 PRO C C 176.17 0.15 1 176 18 MET N N 121.24 0.15 1 177 18 MET H H 8.86 0.02 1 178 18 MET CA C 54.69 0.15 1 179 18 MET HA H 4.68 0.02 1 180 18 MET CB C 36.09 0.15 1 181 18 MET HB2 H 2.03 0.02 1 182 18 MET HB3 H 2.03 0.02 1 183 18 MET CG C 32.19 0.15 1 184 18 MET HG2 H 2.58 0.02 1 185 18 MET HG3 H 2.58 0.02 1 186 18 MET C C 174.77 0.15 1 187 19 GLU N N 124.54 0.15 1 188 19 GLU H H 8.59 0.02 1 189 19 GLU CA C 55.99 0.15 1 190 19 GLU HA H 4.95 0.02 1 191 19 GLU CB C 30.59 0.15 1 192 19 GLU HB2 H 2.00 0.02 2 193 19 GLU HB3 H 1.93 0.02 2 194 19 GLU CG C 35.99 0.15 1 195 19 GLU HG2 H 2.27 0.02 2 196 19 GLU HG3 H 2.19 0.02 2 197 19 GLU C C 176.07 0.15 1 198 20 LYS N N 125.34 0.15 1 199 20 LYS H H 8.73 0.02 1 200 20 LYS CA C 53.99 0.15 1 201 20 LYS HA H 4.53 0.02 1 202 20 LYS CB C 38.19 0.15 1 203 20 LYS HB2 H 1.34 0.02 2 204 20 LYS HB3 H 1.12 0.02 2 205 20 LYS CG C 24.89 0.15 1 206 20 LYS HG2 H 1.32 0.02 2 207 20 LYS HG3 H 1.11 0.02 2 208 20 LYS CD C 28.89 0.15 1 209 20 LYS HD2 H 1.78 0.02 2 210 20 LYS HD3 H 1.54 0.02 2 211 20 LYS CE C 42.69 0.15 1 212 20 LYS C C 173.77 0.15 1 213 21 LYS N N 120.24 0.15 1 214 21 LYS H H 7.56 0.02 1 215 21 LYS CA C 54.79 0.15 1 216 21 LYS HA H 5.39 0.02 1 217 21 LYS CB C 34.59 0.15 1 218 21 LYS HB2 H 1.48 0.02 2 219 21 LYS HB3 H 1.31 0.02 2 220 21 LYS CG C 25.19 0.15 1 221 21 LYS HG2 H 1.29 0.02 1 222 21 LYS HG3 H 1.29 0.02 1 223 21 LYS CD C 29.69 0.15 1 224 21 LYS HD2 H 1.52 0.02 1 225 21 LYS HD3 H 1.52 0.02 1 226 21 LYS CE C 42.39 0.15 1 227 21 LYS C C 176.27 0.15 1 228 22 TYR N N 121.74 0.15 1 229 22 TYR H H 8.53 0.02 1 230 22 TYR CA C 54.49 0.15 1 231 22 TYR HA H 5.25 0.02 1 232 22 TYR CB C 41.69 0.15 1 233 22 TYR HB2 H 3.18 0.02 2 234 22 TYR HB3 H 2.27 0.02 2 235 22 TYR HD1 H 6.93 0.02 1 236 22 TYR HD2 H 6.93 0.02 1 237 22 TYR HE1 H 6.50 0.02 1 238 22 TYR HE2 H 6.50 0.02 1 239 22 TYR CD1 C 132.59 0.15 1 240 22 TYR CE1 C 117.69 0.15 1 241 22 TYR C C 172.47 0.15 1 242 23 PRO CD C 51.49 0.15 1 243 23 PRO CA C 62.69 0.15 1 244 23 PRO HA H 4.53 0.02 1 245 23 PRO CB C 32.49 0.15 1 246 23 PRO HB2 H 2.34 0.02 2 247 23 PRO HB3 H 1.94 0.02 2 248 23 PRO CG C 27.99 0.15 1 249 23 PRO HG2 H 2.21 0.02 2 250 23 PRO HG3 H 1.97 0.02 2 251 23 PRO HD2 H 4.04 0.02 2 252 23 PRO HD3 H 3.92 0.02 2 253 23 PRO C C 175.97 0.15 1 254 24 ALA N N 126.14 0.15 1 255 24 ALA H H 8.00 0.02 1 256 24 ALA CA C 54.59 0.15 1 257 24 ALA HA H 3.59 0.02 1 258 24 ALA HB H 0.62 0.02 1 259 24 ALA CB C 18.89 0.15 1 260 24 ALA C C 177.47 0.15 1 261 25 GLY N N 99.44 0.15 1 262 25 GLY H H 8.13 0.02 1 263 25 GLY CA C 44.89 0.15 1 264 25 GLY HA2 H 4.08 0.02 2 265 25 GLY HA3 H 3.57 0.02 2 266 25 GLY C C 174.37 0.15 1 267 26 MET N N 123.04 0.15 1 268 26 MET H H 7.42 0.02 1 269 26 MET CA C 56.09 0.15 1 270 26 MET HA H 4.25 0.02 1 271 26 MET CB C 34.89 0.15 1 272 26 MET HB2 H 2.19 0.02 2 273 26 MET HB3 H 2.00 0.02 2 274 26 MET CG C 31.79 0.15 1 275 26 MET HG2 H 2.95 0.02 2 276 26 MET HG3 H 2.42 0.02 2 277 26 MET C C 174.47 0.15 1 278 27 SER N N 121.34 0.15 1 279 27 SER H H 8.96 0.02 1 280 27 SER CA C 57.39 0.15 1 281 27 SER HA H 4.68 0.02 1 282 27 SER CB C 65.19 0.15 1 283 27 SER HB2 H 4.29 0.02 2 284 27 SER HB3 H 3.91 0.02 2 285 27 SER HG H 5.20 0.02 1 286 27 SER C C 175.57 0.15 1 287 28 LEU N N 122.84 0.15 1 288 28 LEU H H 8.32 0.02 1 289 28 LEU CA C 57.89 0.15 1 290 28 LEU HA H 3.96 0.02 1 291 28 LEU CB C 40.69 0.15 1 292 28 LEU HB2 H 2.09 0.02 2 293 28 LEU HB3 H 1.34 0.02 2 294 28 LEU CG C 27.29 0.15 1 295 28 LEU HG H 1.37 0.02 1 296 28 LEU HD1 H 0.51 0.02 2 297 28 LEU HD2 H 0.80 0.02 2 298 28 LEU CD1 C 25.39 0.15 1 299 28 LEU CD2 C 24.09 0.15 1 300 28 LEU C C 178.47 0.15 1 301 29 ASN N N 119.24 0.15 1 302 29 ASN H H 9.35 0.02 1 303 29 ASN CA C 56.29 0.15 1 304 29 ASN HA H 4.34 0.02 1 305 29 ASN CB C 37.99 0.15 1 306 29 ASN HB2 H 2.61 0.02 1 307 29 ASN HB3 H 2.61 0.02 1 308 29 ASN ND2 N 111.20 0.15 1 309 29 ASN HD21 H 7.51 0.02 2 310 29 ASN HD22 H 7.07 0.02 2 311 29 ASN C C 177.87 0.15 1 312 30 ASP N N 122.54 0.15 1 313 30 ASP H H 8.07 0.02 1 314 30 ASP CA C 57.49 0.15 1 315 30 ASP HA H 4.39 0.02 1 316 30 ASP CB C 40.39 0.15 1 317 30 ASP HB2 H 2.92 0.02 2 318 30 ASP HB3 H 2.51 0.02 2 319 30 ASP C C 178.67 0.15 1 320 31 LEU N N 124.14 0.15 1 321 31 LEU H H 8.19 0.02 1 322 31 LEU CA C 58.69 0.15 1 323 31 LEU HA H 3.82 0.02 1 324 31 LEU CB C 41.19 0.15 1 325 31 LEU HB2 H 2.06 0.02 2 326 31 LEU HB3 H 1.29 0.02 2 327 31 LEU CG C 27.29 0.15 1 328 31 LEU HG H 1.26 0.02 1 329 31 LEU HD1 H 0.66 0.02 2 330 31 LEU HD2 H 0.33 0.02 2 331 31 LEU CD1 C 26.29 0.15 1 332 31 LEU CD2 C 23.39 0.15 1 333 31 LEU C C 177.97 0.15 1 334 32 LYS N N 117.64 0.15 1 335 32 LYS H H 8.74 0.02 1 336 32 LYS CA C 61.29 0.15 1 337 32 LYS HA H 3.61 0.02 1 338 32 LYS CB C 32.49 0.15 1 339 32 LYS HB2 H 1.85 0.02 1 340 32 LYS HB3 H 1.85 0.02 1 341 32 LYS CG C 26.69 0.15 1 342 32 LYS HG2 H 1.83 0.02 2 343 32 LYS HG3 H 1.10 0.02 2 344 32 LYS CD C 29.89 0.15 1 345 32 LYS HD2 H 1.68 0.02 1 346 32 LYS HD3 H 1.68 0.02 1 347 32 LYS CE C 42.39 0.15 1 348 32 LYS HE2 H 2.98 0.02 2 349 32 LYS HE3 H 2.63 0.02 2 350 32 LYS C C 178.27 0.15 1 351 33 LYS N N 117.54 0.15 1 352 33 LYS H H 7.67 0.02 1 353 33 LYS CA C 58.79 0.15 1 354 33 LYS HA H 3.89 0.02 1 355 33 LYS CB C 31.89 0.15 1 356 33 LYS HB2 H 1.97 0.02 2 357 33 LYS HB3 H 1.90 0.02 2 358 33 LYS CG C 24.89 0.15 1 359 33 LYS HG2 H 1.49 0.02 1 360 33 LYS HG3 H 1.49 0.02 1 361 33 LYS CD C 28.99 0.15 1 362 33 LYS HD2 H 1.72 0.02 2 363 33 LYS HD3 H 1.62 0.02 2 364 33 LYS CE C 42.39 0.15 1 365 33 LYS HE2 H 2.94 0.02 2 366 33 LYS HE3 H 2.90 0.02 2 367 33 LYS C C 179.77 0.15 1 368 34 LYS N N 119.14 0.15 1 369 34 LYS H H 7.73 0.02 1 370 34 LYS CA C 58.59 0.15 1 371 34 LYS HA H 4.12 0.02 1 372 34 LYS CB C 32.09 0.15 1 373 34 LYS HB2 H 2.12 0.02 2 374 34 LYS HB3 H 2.01 0.02 2 375 34 LYS CG C 25.89 0.15 1 376 34 LYS HG2 H 1.63 0.02 2 377 34 LYS HG3 H 1.57 0.02 2 378 34 LYS CD C 28.99 0.15 1 379 34 LYS HD2 H 1.75 0.02 2 380 34 LYS HD3 H 1.63 0.02 2 381 34 LYS CE C 42.59 0.15 1 382 34 LYS HE2 H 3.06 0.02 1 383 34 LYS HE3 H 3.06 0.02 1 384 34 LYS C C 179.07 0.15 1 385 35 LEU N N 118.44 0.15 1 386 35 LEU H H 8.06 0.02 1 387 35 LEU CA C 55.59 0.15 1 388 35 LEU HA H 4.27 0.02 1 389 35 LEU CB C 42.49 0.15 1 390 35 LEU HB2 H 1.82 0.02 2 391 35 LEU HB3 H 1.33 0.02 2 392 35 LEU CG C 26.19 0.15 1 393 35 LEU HG H 1.82 0.02 1 394 35 LEU HD1 H 0.60 0.02 2 395 35 LEU HD2 H 0.74 0.02 2 396 35 LEU CD1 C 25.99 0.15 1 397 35 LEU CD2 C 22.79 0.15 1 398 35 LEU C C 177.97 0.15 1 399 36 GLU N N 123.04 0.15 1 400 36 GLU H H 7.78 0.02 1 401 36 GLU CA C 61.09 0.15 1 402 36 GLU HA H 3.94 0.02 1 403 36 GLU CB C 30.29 0.15 1 404 36 GLU HB2 H 2.17 0.02 2 405 36 GLU HB3 H 1.97 0.02 2 406 36 GLU CG C 37.69 0.15 1 407 36 GLU HG2 H 2.76 0.02 2 408 36 GLU HG3 H 2.20 0.02 2 409 36 GLU C C 179.07 0.15 1 410 37 LEU N N 116.64 0.15 1 411 37 LEU H H 7.79 0.02 1 412 37 LEU CA C 56.99 0.15 1 413 37 LEU HA H 4.17 0.02 1 414 37 LEU CB C 41.99 0.15 1 415 37 LEU HB2 H 1.74 0.02 2 416 37 LEU HB3 H 1.60 0.02 2 417 37 LEU CG C 27.59 0.15 1 418 37 LEU HG H 1.72 0.02 1 419 37 LEU HD1 H 0.93 0.02 2 420 37 LEU HD2 H 0.86 0.02 2 421 37 LEU CD1 C 24.89 0.15 1 422 37 LEU CD2 C 23.79 0.15 1 423 37 LEU C C 178.17 0.15 1 424 38 VAL N N 118.14 0.15 1 425 38 VAL H H 7.34 0.02 1 426 38 VAL CA C 64.19 0.15 1 427 38 VAL HA H 3.89 0.02 1 428 38 VAL CB C 32.99 0.15 1 429 38 VAL HB H 2.06 0.02 1 430 38 VAL HG1 H 1.00 0.02 2 431 38 VAL HG2 H 0.89 0.02 2 432 38 VAL CG1 C 21.79 0.15 1 433 38 VAL CG2 C 21.49 0.15 1 434 38 VAL C C 176.67 0.15 1 435 39 VAL N N 116.94 0.15 1 436 39 VAL H H 8.32 0.02 1 437 39 VAL CA C 63.29 0.15 1 438 39 VAL HA H 3.87 0.02 1 439 39 VAL CB C 33.29 0.15 1 440 39 VAL HB H 1.88 0.02 1 441 39 VAL HG1 H 0.91 0.02 2 442 39 VAL HG2 H 0.84 0.02 2 443 39 VAL CG1 C 23.09 0.15 1 444 39 VAL CG2 C 22.79 0.15 1 445 39 VAL C C 175.97 0.15 1 446 40 GLY N N 107.84 0.15 1 447 40 GLY H H 7.88 0.02 1 448 40 GLY CA C 46.09 0.15 1 449 40 GLY HA2 H 4.05 0.02 2 450 40 GLY HA3 H 3.75 0.02 2 451 40 GLY C C 174.17 0.15 1 452 41 THR N N 113.44 0.15 1 453 41 THR H H 7.33 0.02 1 454 41 THR CA C 59.99 0.15 1 455 41 THR HA H 4.52 0.02 1 456 41 THR CB C 69.99 0.15 1 457 41 THR HB H 3.87 0.02 1 458 41 THR HG2 H 0.98 0.02 1 459 41 THR CG2 C 19.19 0.15 1 460 41 THR C C 172.27 0.15 1 461 42 THR N N 110.34 0.15 1 462 42 THR H H 7.71 0.02 1 463 42 THR CA C 60.49 0.15 1 464 42 THR HA H 4.62 0.02 1 465 42 THR CB C 70.99 0.15 1 466 42 THR HB H 4.41 0.02 1 467 42 THR HG2 H 1.18 0.02 1 468 42 THR CG2 C 22.09 0.15 1 469 42 THR C C 177.47 0.15 1 470 43 VAL N N 117.14 0.15 1 471 43 VAL H H 8.90 0.02 1 472 43 VAL CA C 66.49 0.15 1 473 43 VAL HA H 3.69 0.02 1 474 43 VAL CB C 32.39 0.15 1 475 43 VAL HB H 2.08 0.02 1 476 43 VAL HG1 H 1.00 0.02 2 477 43 VAL HG2 H 0.97 0.02 2 478 43 VAL CG1 C 22.49 0.15 1 479 43 VAL CG2 C 19.89 0.15 1 480 43 VAL C C 177.17 0.15 1 481 44 ASP N N 117.14 0.15 1 482 44 ASP H H 8.03 0.02 1 483 44 ASP CA C 56.19 0.15 1 484 44 ASP HA H 4.47 0.02 1 485 44 ASP CB C 40.79 0.15 1 486 44 ASP HB2 H 2.69 0.02 2 487 44 ASP HB3 H 2.56 0.02 2 488 44 ASP C C 176.87 0.15 1 489 45 SER N N 115.84 0.15 1 490 45 SER H H 7.78 0.02 1 491 45 SER CA C 57.39 0.15 1 492 45 SER HA H 4.53 0.02 1 493 45 SER CB C 64.49 0.15 1 494 45 SER HB2 H 4.07 0.02 2 495 45 SER HB3 H 3.88 0.02 2 496 45 SER C C 171.37 0.15 1 497 46 MET N N 120.64 0.15 1 498 46 MET H H 7.25 0.02 1 499 46 MET CA C 54.59 0.15 1 500 46 MET HA H 5.11 0.02 1 501 46 MET CB C 37.19 0.15 1 502 46 MET HB2 H 1.96 0.02 2 503 46 MET HB3 H 1.82 0.02 2 504 46 MET CG C 30.69 0.15 1 505 46 MET HG2 H 2.24 0.02 2 506 46 MET HG3 H 2.01 0.02 2 507 46 MET C C 175.37 0.15 1 508 47 ARG N N 127.14 0.15 1 509 47 ARG H H 9.06 0.02 1 510 47 ARG CA C 54.69 0.15 1 511 47 ARG HA H 4.65 0.02 1 512 47 ARG CB C 33.19 0.15 1 513 47 ARG HB2 H 1.64 0.02 2 514 47 ARG HB3 H 1.50 0.02 2 515 47 ARG CG C 27.49 0.15 1 516 47 ARG HG2 H 1.58 0.02 2 517 47 ARG HG3 H 1.35 0.02 2 518 47 ARG CD C 43.69 0.15 1 519 47 ARG HD2 H 3.07 0.02 2 520 47 ARG HD3 H 3.00 0.02 2 521 47 ARG C C 174.67 0.15 1 522 48 ILE N N 125.14 0.15 1 523 48 ILE H H 9.11 0.02 1 524 48 ILE CA C 57.99 0.15 1 525 48 ILE HA H 4.95 0.02 1 526 48 ILE CB C 38.49 0.15 1 527 48 ILE HB H 2.16 0.02 1 528 48 ILE HG2 H 0.74 0.02 1 529 48 ILE CG2 C 18.59 0.15 1 530 48 ILE CG1 C 26.79 0.15 1 531 48 ILE HG12 H 1.30 0.02 2 532 48 ILE HG13 H 1.19 0.02 2 533 48 ILE HD1 H 0.65 0.02 1 534 48 ILE CD1 C 10.79 0.15 1 535 48 ILE C C 174.87 0.15 1 536 49 GLN N N 126.44 0.15 1 537 49 GLN H H 9.39 0.02 1 538 49 GLN CA C 54.49 0.15 1 539 49 GLN HA H 4.80 0.02 1 540 49 GLN CB C 33.69 0.15 1 541 49 GLN HB2 H 2.26 0.02 2 542 49 GLN HB3 H 1.61 0.02 2 543 49 GLN CG C 34.69 0.15 1 544 49 GLN HG2 H 2.22 0.02 2 545 49 GLN HG3 H 2.04 0.02 2 546 49 GLN NE2 N 110.40 0.15 1 547 49 GLN HE21 H 7.43 0.02 2 548 49 GLN HE22 H 6.64 0.02 2 549 49 GLN C C 173.17 0.15 1 550 50 LEU N N 123.04 0.15 1 551 50 LEU H H 8.35 0.02 1 552 50 LEU CA C 53.19 0.15 1 553 50 LEU HA H 5.22 0.02 1 554 50 LEU CB C 46.29 0.15 1 555 50 LEU HB2 H 1.84 0.02 2 556 50 LEU HB3 H 1.06 0.02 2 557 50 LEU CG C 26.29 0.15 1 558 50 LEU HG H 1.26 0.02 1 559 50 LEU HD1 H 0.86 0.02 2 560 50 LEU CD1 C 25.69 0.15 1 561 50 LEU C C 173.37 0.15 1 562 51 PHE N N 127.44 0.15 1 563 51 PHE H H 9.78 0.02 1 564 51 PHE CA C 55.99 0.15 1 565 51 PHE HA H 5.14 0.02 1 566 51 PHE CB C 43.19 0.15 1 567 51 PHE HB2 H 2.95 0.02 2 568 51 PHE HB3 H 2.71 0.02 2 569 51 PHE HD1 H 6.72 0.02 1 570 51 PHE HD2 H 6.72 0.02 1 571 51 PHE HE1 H 7.01 0.02 1 572 51 PHE HE2 H 7.01 0.02 1 573 51 PHE CD1 C 131.49 0.15 1 574 51 PHE CE1 C 131.29 0.15 1 575 51 PHE C C 174.87 0.15 1 576 52 ASP N N 119.14 0.15 1 577 52 ASP H H 8.24 0.02 1 578 52 ASP CA C 51.69 0.15 1 579 52 ASP HA H 2.99 0.02 1 580 52 ASP CB C 41.19 0.15 1 581 52 ASP HB2 H 2.69 0.02 2 582 52 ASP HB3 H 1.93 0.02 2 583 52 ASP C C 177.27 0.15 1 584 53 GLY N N 105.94 0.15 1 585 53 GLY H H 7.83 0.02 1 586 53 GLY CA C 46.49 0.15 1 587 53 GLY HA2 H 4.00 0.02 2 588 53 GLY HA3 H 3.76 0.02 2 589 53 GLY C C 174.57 0.15 1 590 54 ASP N N 120.74 0.15 1 591 54 ASP H H 8.08 0.02 1 592 54 ASP CA C 53.89 0.15 1 593 54 ASP HA H 4.86 0.02 1 594 54 ASP CB C 41.69 0.15 1 595 54 ASP HB2 H 2.90 0.02 2 596 54 ASP HB3 H 2.47 0.02 2 597 54 ASP C C 175.27 0.15 1 598 55 ASP N N 118.94 0.15 1 599 55 ASP H H 8.28 0.02 1 600 55 ASP CA C 56.09 0.15 1 601 55 ASP HA H 4.32 0.02 1 602 55 ASP CB C 40.49 0.15 1 603 55 ASP HB2 H 2.96 0.02 2 604 55 ASP HB3 H 2.40 0.02 2 605 55 ASP C C 174.57 0.15 1 606 56 GLN N N 117.64 0.15 1 607 56 GLN H H 8.32 0.02 1 608 56 GLN CA C 54.59 0.15 1 609 56 GLN HA H 4.40 0.02 1 610 56 GLN CB C 28.99 0.15 1 611 56 GLN HB2 H 2.06 0.02 2 612 56 GLN HB3 H 1.92 0.02 2 613 56 GLN CG C 34.49 0.15 1 614 56 GLN HG2 H 2.31 0.02 2 615 56 GLN HG3 H 2.09 0.02 2 616 56 GLN NE2 N 114.00 0.15 1 617 56 GLN HE21 H 7.59 0.02 2 618 56 GLN HE22 H 6.87 0.02 2 619 56 GLN C C 176.27 0.15 1 620 57 LEU N N 126.84 0.15 1 621 57 LEU H H 8.60 0.02 1 622 57 LEU CA C 56.09 0.15 1 623 57 LEU HA H 3.43 0.02 1 624 57 LEU CB C 41.59 0.15 1 625 57 LEU HB2 H 1.58 0.02 2 626 57 LEU HB3 H 1.17 0.02 2 627 57 LEU CG C 26.59 0.15 1 628 57 LEU HG H 0.95 0.02 1 629 57 LEU HD1 H 0.71 0.02 2 630 57 LEU HD2 H 0.13 0.02 2 631 57 LEU CD1 C 26.29 0.15 1 632 57 LEU CD2 C 21.79 0.15 1 633 57 LEU C C 177.07 0.15 1 634 58 LYS N N 128.74 0.15 1 635 58 LYS H H 9.49 0.02 1 636 58 LYS CA C 54.99 0.15 1 637 58 LYS HA H 4.38 0.02 1 638 58 LYS CB C 31.69 0.15 1 639 58 LYS HB2 H 1.86 0.02 2 640 58 LYS HB3 H 1.45 0.02 2 641 58 LYS CG C 23.79 0.15 1 642 58 LYS HG2 H 1.42 0.02 2 643 58 LYS HG3 H 1.33 0.02 2 644 58 LYS CD C 27.69 0.15 1 645 58 LYS HD2 H 1.58 0.02 1 646 58 LYS HD3 H 1.58 0.02 1 647 58 LYS CE C 41.79 0.15 1 648 58 LYS HE2 H 3.02 0.02 2 649 58 LYS HE3 H 2.94 0.02 2 650 58 LYS C C 176.77 0.15 1 651 59 GLY N N 104.84 0.15 1 652 59 GLY H H 6.90 0.02 1 653 59 GLY CA C 44.19 0.15 1 654 59 GLY HA2 H 4.41 0.02 2 655 59 GLY HA3 H 3.69 0.02 2 656 59 GLY C C 170.77 0.15 1 657 60 GLU N N 120.24 0.15 1 658 60 GLU H H 8.49 0.02 1 659 60 GLU CA C 55.09 0.15 1 660 60 GLU HA H 4.89 0.02 1 661 60 GLU CB C 30.89 0.15 1 662 60 GLU HB2 H 1.87 0.02 1 663 60 GLU HB3 H 1.87 0.02 1 664 60 GLU CG C 36.79 0.15 1 665 60 GLU HG2 H 2.35 0.02 2 666 60 GLU HG3 H 2.02 0.02 2 667 60 GLU C C 176.57 0.15 1 668 61 LEU N N 125.64 0.15 1 669 61 LEU H H 8.61 0.02 1 670 61 LEU CA C 53.69 0.15 1 671 61 LEU HA H 4.66 0.02 1 672 61 LEU CB C 42.09 0.15 1 673 61 LEU HB2 H 1.77 0.02 2 674 61 LEU HB3 H 1.25 0.02 2 675 61 LEU CG C 26.99 0.15 1 676 61 LEU HG H 1.54 0.02 1 677 61 LEU HD1 H 0.75 0.02 2 678 61 LEU HD2 H 0.81 0.02 2 679 61 LEU CD1 C 25.09 0.15 1 680 61 LEU CD2 C 22.49 0.15 1 681 61 LEU C C 175.97 0.15 1 682 62 THR N N 113.74 0.15 1 683 62 THR H H 8.83 0.02 1 684 62 THR CA C 61.89 0.15 1 685 62 THR HA H 4.49 0.02 1 686 62 THR CB C 70.99 0.15 1 687 62 THR HB H 4.27 0.02 1 688 62 THR HG2 H 1.02 0.02 1 689 62 THR CG2 C 21.79 0.15 1 690 62 THR C C 174.47 0.15 1 691 63 ASP N N 123.34 0.15 1 692 63 ASP H H 7.27 0.02 1 693 63 ASP CA C 53.89 0.15 1 694 63 ASP HA H 4.70 0.02 1 695 63 ASP CB C 40.39 0.15 1 696 63 ASP HB2 H 2.92 0.02 2 697 63 ASP HB3 H 2.50 0.02 2 698 63 ASP C C 174.97 0.15 1 699 64 GLY N N 111.54 0.15 1 700 64 GLY H H 8.19 0.02 1 701 64 GLY CA C 46.79 0.15 1 702 64 GLY HA2 H 3.84 0.02 2 703 64 GLY HA3 H 3.53 0.02 2 704 64 GLY C C 173.57 0.15 1 705 65 ALA N N 118.74 0.15 1 706 65 ALA H H 7.99 0.02 1 707 65 ALA CA C 52.49 0.15 1 708 65 ALA HA H 4.35 0.02 1 709 65 ALA HB H 1.41 0.02 1 710 65 ALA CB C 19.49 0.15 1 711 65 ALA C C 178.87 0.15 1 712 66 LYS N N 119.44 0.15 1 713 66 LYS H H 7.38 0.02 1 714 66 LYS CA C 55.99 0.15 1 715 66 LYS HA H 4.34 0.02 1 716 66 LYS CB C 34.99 0.15 1 717 66 LYS HB2 H 1.91 0.02 2 718 66 LYS HB3 H 1.78 0.02 2 719 66 LYS CG C 26.39 0.15 1 720 66 LYS HG2 H 1.53 0.02 2 721 66 LYS HG3 H 1.42 0.02 2 722 66 LYS CD C 29.79 0.15 1 723 66 LYS HD2 H 1.60 0.02 1 724 66 LYS HD3 H 1.60 0.02 1 725 66 LYS CE C 42.39 0.15 1 726 66 LYS C C 174.87 0.15 1 727 67 SER N N 115.34 0.15 1 728 67 SER H H 8.69 0.02 1 729 67 SER CA C 56.29 0.15 1 730 67 SER HA H 4.66 0.02 1 731 67 SER CB C 65.79 0.15 1 732 67 SER HB2 H 4.36 0.02 2 733 67 SER HB3 H 3.88 0.02 2 734 67 SER HG H 5.29 0.02 1 735 67 SER C C 175.17 0.15 1 736 68 LEU N N 118.14 0.15 1 737 68 LEU H H 8.49 0.02 1 738 68 LEU CA C 58.49 0.15 1 739 68 LEU HA H 3.88 0.02 1 740 68 LEU CB C 39.99 0.15 1 741 68 LEU HB2 H 2.19 0.02 2 742 68 LEU HB3 H 1.13 0.02 2 743 68 LEU CG C 26.19 0.15 1 744 68 LEU HG H 2.19 0.02 1 745 68 LEU HD1 H 0.85 0.02 2 746 68 LEU HD2 H 0.59 0.02 2 747 68 LEU CD1 C 25.99 0.15 1 748 68 LEU CD2 C 21.19 0.15 1 749 68 LEU C C 179.07 0.15 1 750 69 LYS N N 118.74 0.15 1 751 69 LYS H H 8.45 0.02 1 752 69 LYS CA C 59.49 0.15 1 753 69 LYS HA H 4.34 0.02 1 754 69 LYS CB C 33.69 0.15 1 755 69 LYS HB2 H 1.87 0.02 2 756 69 LYS HB3 H 1.55 0.02 2 757 69 LYS CG C 24.59 0.15 1 758 69 LYS CD C 30.19 0.15 1 759 69 LYS HD2 H 1.56 0.02 1 760 69 LYS HD3 H 1.56 0.02 1 761 69 LYS CE C 42.29 0.15 1 762 69 LYS C C 181.07 0.15 1 763 70 ASP N N 123.34 0.15 1 764 70 ASP H H 8.26 0.02 1 765 70 ASP CA C 57.19 0.15 1 766 70 ASP HA H 4.39 0.02 1 767 70 ASP CB C 40.39 0.15 1 768 70 ASP HB2 H 2.92 0.02 2 769 70 ASP HB3 H 2.63 0.02 2 770 70 ASP C C 178.07 0.15 1 771 71 LEU N N 120.74 0.15 1 772 71 LEU H H 8.09 0.02 1 773 71 LEU CA C 55.49 0.15 1 774 71 LEU HA H 4.25 0.02 1 775 71 LEU CB C 42.89 0.15 1 776 71 LEU HB2 H 1.94 0.02 2 777 71 LEU HB3 H 1.75 0.02 2 778 71 LEU CG C 28.29 0.15 1 779 71 LEU HG H 0.83 0.02 1 780 71 LEU HD1 H 1.76 0.02 2 781 71 LEU HD2 H 1.06 0.02 2 782 71 LEU CD1 C 26.69 0.15 1 783 71 LEU CD2 C 23.69 0.15 1 784 71 LEU C C 176.07 0.15 1 785 72 GLY N N 105.34 0.15 1 786 72 GLY H H 7.66 0.02 1 787 72 GLY CA C 44.89 0.15 1 788 72 GLY HA2 H 4.14 0.02 2 789 72 GLY HA3 H 3.48 0.02 2 790 72 GLY C C 173.67 0.15 1 791 73 VAL N N 120.74 0.15 1 792 73 VAL H H 7.70 0.02 1 793 73 VAL CA C 64.19 0.15 1 794 73 VAL HA H 3.12 0.02 1 795 73 VAL CB C 30.79 0.15 1 796 73 VAL HB H 1.62 0.02 1 797 73 VAL HG1 H 0.91 0.02 2 798 73 VAL HG2 H 0.71 0.02 2 799 73 VAL CG1 C 22.49 0.15 1 800 73 VAL CG2 C 24.39 0.15 1 801 73 VAL C C 172.77 0.15 1 802 74 ARG N N 121.74 0.15 1 803 74 ARG H H 4.92 0.02 1 804 74 ARG CA C 51.39 0.15 1 805 74 ARG HA H 3.34 0.02 1 806 74 ARG CB C 33.79 0.15 1 807 74 ARG HB2 H 1.40 0.02 2 808 74 ARG HB3 H 0.37 0.02 2 809 74 ARG CG C 26.59 0.15 1 810 74 ARG HG2 H 1.16 0.02 2 811 74 ARG HG3 H 0.95 0.02 2 812 74 ARG CD C 43.09 0.15 1 813 74 ARG HD2 H 3.32 0.02 2 814 74 ARG HD3 H 2.91 0.02 2 815 74 ARG C C 173.17 0.15 1 816 75 ASP N N 117.34 0.15 1 817 75 ASP H H 7.60 0.02 1 818 75 ASP CA C 56.69 0.15 1 819 75 ASP HA H 4.33 0.02 1 820 75 ASP CB C 42.69 0.15 1 821 75 ASP HB2 H 2.67 0.02 2 822 75 ASP HB3 H 2.60 0.02 2 823 75 ASP C C 177.57 0.15 1 824 76 GLY N N 111.14 0.15 1 825 76 GLY H H 9.25 0.02 1 826 76 GLY CA C 45.69 0.15 1 827 76 GLY HA2 H 4.20 0.02 2 828 76 GLY HA3 H 3.92 0.02 2 829 76 GLY C C 174.17 0.15 1 830 77 TYR N N 121.74 0.15 1 831 77 TYR H H 7.60 0.02 1 832 77 TYR CA C 56.99 0.15 1 833 77 TYR HA H 4.44 0.02 1 834 77 TYR CB C 37.79 0.15 1 835 77 TYR HB2 H 3.32 0.02 1 836 77 TYR HB3 H 3.32 0.02 1 837 77 TYR HD1 H 6.94 0.02 1 838 77 TYR HD2 H 6.94 0.02 1 839 77 TYR HE1 H 6.84 0.02 1 840 77 TYR HE2 H 6.84 0.02 1 841 77 TYR CD1 C 131.09 0.15 1 842 77 TYR CE1 C 118.79 0.15 1 843 77 TYR C C 172.47 0.15 1 844 78 ARG N N 120.04 0.15 1 845 78 ARG H H 8.81 0.02 1 846 78 ARG CA C 53.89 0.15 1 847 78 ARG HA H 5.70 0.02 1 848 78 ARG CB C 35.09 0.15 1 849 78 ARG HB2 H 1.75 0.02 1 850 78 ARG HB3 H 1.75 0.02 1 851 78 ARG CG C 28.29 0.15 1 852 78 ARG HG2 H 1.45 0.02 2 853 78 ARG HG3 H 1.13 0.02 2 854 78 ARG CD C 43.89 0.15 1 855 78 ARG HD2 H 3.10 0.02 2 856 78 ARG HD3 H 2.73 0.02 2 857 78 ARG C C 174.77 0.15 1 858 79 ILE N N 127.64 0.15 1 859 79 ILE H H 9.19 0.02 1 860 79 ILE CA C 58.69 0.15 1 861 79 ILE HA H 4.85 0.02 1 862 79 ILE CB C 39.29 0.15 1 863 79 ILE HB H 2.02 0.02 1 864 79 ILE HG2 H 0.84 0.02 1 865 79 ILE CG2 C 17.59 0.15 1 866 79 ILE CG1 C 27.99 0.15 1 867 79 ILE HG12 H 1.47 0.02 2 868 79 ILE HG13 H 1.28 0.02 2 869 79 ILE HD1 H 0.71 0.02 1 870 79 ILE CD1 C 12.39 0.15 1 871 79 ILE C C 172.77 0.15 1 872 80 HIS N N 128.44 0.15 1 873 80 HIS H H 9.24 0.02 1 874 80 HIS CA C 54.19 0.15 1 875 80 HIS HA H 5.64 0.02 1 876 80 HIS CB C 34.99 0.15 1 877 80 HIS HB2 H 3.31 0.02 2 878 80 HIS HB3 H 2.60 0.02 2 879 80 HIS CD2 C 117.69 0.15 1 880 80 HIS CE1 C 137.89 0.15 1 881 80 HIS HD2 H 6.99 0.02 1 882 80 HIS HE1 H 7.29 0.02 1 883 80 HIS C C 173.87 0.15 1 884 81 ALA N N 132.04 0.15 1 885 81 ALA H H 8.69 0.02 1 886 81 ALA CA C 50.09 0.15 1 887 81 ALA HA H 5.24 0.02 1 888 81 ALA HB H 1.07 0.02 1 889 81 ALA CB C 22.09 0.15 1 890 81 ALA C C 174.87 0.15 1 891 82 VAL N N 118.84 0.15 1 892 82 VAL H H 8.62 0.02 1 893 82 VAL CA C 60.09 0.15 1 894 82 VAL HA H 4.31 0.02 1 895 82 VAL CB C 35.69 0.15 1 896 82 VAL HB H 1.85 0.02 1 897 82 VAL HG1 H 0.70 0.02 2 898 82 VAL CG1 C 21.19 0.15 1 899 82 VAL C C 174.77 0.15 1 900 83 ASP N N 124.04 0.15 1 901 83 ASP H H 8.34 0.02 1 902 83 ASP CA C 52.99 0.15 1 903 83 ASP HA H 4.87 0.02 1 904 83 ASP CB C 41.39 0.15 1 905 83 ASP HB2 H 2.87 0.02 2 906 83 ASP HB3 H 2.45 0.02 2 907 83 ASP C C 177.77 0.15 1 908 84 VAL N N 123.24 0.15 1 909 84 VAL H H 8.66 0.02 1 910 84 VAL CA C 62.89 0.15 1 911 84 VAL HA H 4.16 0.02 1 912 84 VAL CB C 31.69 0.15 1 913 84 VAL HB H 2.26 0.02 1 914 84 VAL HG1 H 0.85 0.02 2 915 84 VAL HG2 H 0.84 0.02 2 916 84 VAL CG1 C 22.09 0.15 1 917 84 VAL CG2 C 19.19 0.15 1 918 84 VAL C C 176.67 0.15 1 919 85 THR N N 116.84 0.15 1 920 85 THR H H 8.65 0.02 1 921 85 THR CA C 63.89 0.15 1 922 85 THR HA H 4.19 0.02 1 923 85 THR CB C 69.69 0.15 1 924 85 THR HB H 4.22 0.02 1 925 85 THR HG2 H 1.23 0.02 1 926 85 THR CG2 C 22.09 0.15 1 927 85 THR C C 175.77 0.15 1 928 86 GLY N N 111.24 0.15 1 929 86 GLY H H 8.19 0.02 1 930 86 GLY CA C 45.59 0.15 1 931 86 GLY HA2 H 3.93 0.02 1 932 86 GLY HA3 H 3.93 0.02 1 933 86 GLY C C 174.37 0.15 1 934 87 GLY N N 109.74 0.15 1 935 87 GLY H H 8.19 0.02 1 936 87 GLY CA C 45.49 0.15 1 937 87 GLY HA2 H 3.95 0.02 1 938 87 GLY HA3 H 3.95 0.02 1 939 87 GLY C C 173.87 0.15 1 940 88 ASN N N 119.24 0.15 1 941 88 ASN H H 8.35 0.02 1 942 88 ASN CA C 53.49 0.15 1 943 88 ASN HA H 4.70 0.02 1 944 88 ASN CB C 39.29 0.15 1 945 88 ASN HB2 H 2.77 0.02 1 946 88 ASN HB3 H 2.77 0.02 1 947 88 ASN ND2 N 112.80 0.15 1 948 88 ASN HD21 H 7.62 0.02 2 949 88 ASN HD22 H 6.92 0.02 2 950 88 ASN C C 175.37 0.15 1 951 89 GLU N N 121.64 0.15 1 952 89 GLU H H 8.46 0.02 1 953 89 GLU CA C 57.09 0.15 1 954 89 GLU HA H 4.17 0.02 1 955 89 GLU CB C 30.19 0.15 1 956 89 GLU HB2 H 1.88 0.02 1 957 89 GLU HB3 H 1.88 0.02 1 958 89 GLU CG C 36.49 0.15 1 959 89 GLU HG2 H 2.19 0.02 1 960 89 GLU HG3 H 2.19 0.02 1 961 89 GLU C C 175.97 0.15 1 962 90 ASP N N 121.04 0.15 1 963 90 ASP H H 8.25 0.02 1 964 90 ASP CA C 54.69 0.15 1 965 90 ASP HA H 4.49 0.02 1 966 90 ASP CB C 41.29 0.15 1 967 90 ASP HB2 H 2.55 0.02 2 968 90 ASP HB3 H 2.47 0.02 2 969 90 ASP C C 175.67 0.15 1 970 91 PHE N N 121.04 0.15 1 971 91 PHE H H 8.06 0.02 1 972 91 PHE CA C 57.89 0.15 1 973 91 PHE HA H 4.53 0.02 1 974 91 PHE CB C 39.39 0.15 1 975 91 PHE HB2 H 3.07 0.02 2 976 91 PHE HB3 H 2.97 0.02 2 977 91 PHE HD1 H 7.18 0.02 1 978 91 PHE HD2 H 7.18 0.02 1 979 91 PHE HE1 H 7.28 0.02 1 980 91 PHE HE2 H 7.28 0.02 1 981 91 PHE CD1 C 131.89 0.15 1 982 91 PHE CE1 C 131.79 0.15 1 983 91 PHE C C 175.27 0.15 1 984 92 LYS N N 123.94 0.15 1 985 92 LYS H H 8.04 0.02 1 986 92 LYS CA C 56.09 0.15 1 987 92 LYS HA H 4.21 0.02 1 988 92 LYS CB C 33.49 0.15 1 989 92 LYS HB2 H 1.71 0.02 1 990 92 LYS HB3 H 1.71 0.02 1 991 92 LYS CG C 24.79 0.15 1 992 92 LYS HG2 H 1.30 0.02 1 993 92 LYS HG3 H 1.30 0.02 1 994 92 LYS CD C 29.59 0.15 1 995 92 LYS HD2 H 1.64 0.02 1 996 92 LYS HD3 H 1.64 0.02 1 997 92 LYS CE C 42.49 0.15 1 998 92 LYS C C 175.47 0.15 1 999 93 ASP N N 122.54 0.15 1 1000 93 ASP H H 8.22 0.02 1 1001 93 ASP CA C 54.29 0.15 1 1002 93 ASP HA H 4.51 0.02 1 1003 93 ASP CB C 41.59 0.15 1 1004 93 ASP HB2 H 2.70 0.02 2 1005 93 ASP HB3 H 2.59 0.02 2 1006 93 ASP C C 176.47 0.15 1 1007 94 GLU N N 123.24 0.15 1 1008 94 GLU H H 8.56 0.02 1 1009 94 GLU CA C 57.19 0.15 1 1010 94 GLU HA H 4.25 0.02 1 1011 94 GLU CB C 30.19 0.15 1 1012 94 GLU HB2 H 1.91 0.02 1 1013 94 GLU HB3 H 1.91 0.02 1 1014 94 GLU CG C 36.49 0.15 1 1015 94 GLU HG2 H 2.23 0.02 1 1016 94 GLU HG3 H 2.23 0.02 1 1017 94 GLU C C 176.67 0.15 1 1018 95 SER N N 116.84 0.15 1 1019 95 SER H H 8.42 0.02 1 1020 95 SER CA C 59.49 0.15 1 1021 95 SER HA H 4.32 0.02 1 1022 95 SER CB C 64.09 0.15 1 1023 95 SER HB2 H 3.87 0.02 1 1024 95 SER HB3 H 3.87 0.02 1 1025 95 SER C C 174.67 0.15 1 1026 96 MET N N 122.54 0.15 1 1027 96 MET H H 8.18 0.02 1 1028 96 MET CA C 55.79 0.15 1 1029 96 MET HA H 4.50 0.02 1 1030 96 MET CB C 32.99 0.15 1 1031 96 MET HB2 H 2.52 0.02 1 1032 96 MET HB3 H 2.52 0.02 1 1033 96 MET CG C 32.49 0.15 1 1034 96 MET HG2 H 2.04 0.02 1 1035 96 MET HG3 H 2.04 0.02 1 1036 96 MET C C 175.97 0.15 1 1037 97 VAL N N 121.24 0.15 1 1038 97 VAL H H 7.85 0.02 1 1039 97 VAL CA C 62.59 0.15 1 1040 97 VAL HA H 4.00 0.02 1 1041 97 VAL CB C 33.19 0.15 1 1042 97 VAL HB H 2.03 0.02 1 1043 97 VAL HG1 H 0.91 0.02 2 1044 97 VAL CG1 C 21.19 0.15 1 1045 97 VAL C C 175.97 0.15 1 1046 98 GLU N N 124.84 0.15 1 1047 98 GLU H H 8.40 0.02 1 1048 98 GLU CA C 56.89 0.15 1 1049 98 GLU HA H 4.17 0.02 1 1050 98 GLU CB C 30.39 0.15 1 1051 98 GLU HB2 H 1.88 0.02 1 1052 98 GLU HB3 H 1.88 0.02 1 1053 98 GLU CG C 36.49 0.15 1 1054 98 GLU HG2 H 2.18 0.02 1 1055 98 GLU HG3 H 2.18 0.02 1 1056 98 GLU C C 175.97 0.15 1 1057 99 LYS N N 122.84 0.15 1 1058 99 LYS H H 8.18 0.02 1 1059 99 LYS CA C 56.29 0.15 1 1060 99 LYS HA H 4.21 0.02 1 1061 99 LYS CB C 33.39 0.15 1 1062 99 LYS HB2 H 2.02 0.02 1 1063 99 LYS HB3 H 2.02 0.02 1 1064 99 LYS CG C 24.89 0.15 1 1065 99 LYS HG2 H 1.28 0.02 1 1066 99 LYS HG3 H 1.28 0.02 1 1067 99 LYS CD C 29.49 0.15 1 1068 99 LYS HD2 H 1.66 0.02 1 1069 99 LYS HD3 H 1.66 0.02 1 1070 99 LYS CE C 42.29 0.15 1 1071 99 LYS HE2 H 2.61 0.02 1 1072 99 LYS HE3 H 2.61 0.02 1 1073 99 LYS C C 175.97 0.15 1 1074 100 TYR N N 121.64 0.15 1 1075 100 TYR H H 8.14 0.02 1 1076 100 TYR CA C 57.69 0.15 1 1077 100 TYR HA H 4.54 0.02 1 1078 100 TYR CB C 38.99 0.15 1 1079 100 TYR HB2 H 3.00 0.02 2 1080 100 TYR HB3 H 2.88 0.02 2 1081 100 TYR HD1 H 7.06 0.02 1 1082 100 TYR HD2 H 7.06 0.02 1 1083 100 TYR HE1 H 6.76 0.02 1 1084 100 TYR HE2 H 6.76 0.02 1 1085 100 TYR CD1 C 133.29 0.15 1 1086 100 TYR CE1 C 118.29 0.15 1 1087 100 TYR C C 175.47 0.15 1 1088 101 GLU N N 123.34 0.15 1 1089 101 GLU H H 8.34 0.02 1 1090 101 GLU CA C 56.39 0.15 1 1091 101 GLU HA H 4.24 0.02 1 1092 101 GLU CB C 30.69 0.15 1 1093 101 GLU HB2 H 1.89 0.02 1 1094 101 GLU HB3 H 1.89 0.02 1 1095 101 GLU CG C 36.39 0.15 1 1096 101 GLU HG2 H 2.18 0.02 1 1097 101 GLU HG3 H 2.18 0.02 1 1098 101 GLU C C 175.97 0.15 1 1099 102 MET N N 122.04 0.15 1 1100 102 MET H H 8.30 0.02 1 1101 102 MET CA C 55.59 0.15 1 1102 102 MET HA H 4.45 0.02 1 1103 102 MET CB C 32.99 0.15 1 1104 102 MET HB2 H 2.63 0.02 1 1105 102 MET HB3 H 2.63 0.02 1 1106 102 MET CG C 32.69 0.15 1 1107 102 MET HG2 H 2.00 0.02 1 1108 102 MET HG3 H 2.00 0.02 1 1109 102 MET C C 175.97 0.15 1 1110 103 SER N N 117.44 0.15 1 1111 103 SER H H 8.28 0.02 1 1112 103 SER CA C 58.49 0.15 1 1113 103 SER HA H 4.42 0.02 1 1114 103 SER CB C 64.39 0.15 1 1115 103 SER HB2 H 3.84 0.02 1 1116 103 SER HB3 H 3.84 0.02 1 1117 103 SER C C 174.07 0.15 1 1118 104 ASP N N 123.04 0.15 1 1119 104 ASP H H 8.37 0.02 1 1120 104 ASP CA C 54.69 0.15 1 1121 104 ASP CB C 41.59 0.15 1 1122 104 ASP C C 176.07 0.15 1 1123 105 ASP N N 121.54 0.15 1 1124 105 ASP H H 8.35 0.02 1 1125 105 ASP CA C 54.79 0.15 1 1126 105 ASP HA H 4.59 0.02 1 1127 105 ASP CB C 41.29 0.15 1 1128 105 ASP HB2 H 2.65 0.02 1 1129 105 ASP HB3 H 2.65 0.02 1 1130 105 ASP C C 176.67 0.15 1 1131 106 THR N N 114.44 0.15 1 1132 106 THR H H 8.10 0.02 1 1133 106 THR CA C 63.29 0.15 1 1134 106 THR HA H 4.09 0.02 1 1135 106 THR CB C 69.69 0.15 1 1136 106 THR HB H 4.06 0.02 1 1137 106 THR HG2 H 1.01 0.02 1 1138 106 THR CG2 C 21.79 0.15 1 1139 106 THR C C 174.77 0.15 1 1140 107 TYR N N 122.04 0.15 1 1141 107 TYR H H 8.16 0.02 1 1142 107 TYR CA C 58.99 0.15 1 1143 107 TYR HA H 4.42 0.02 1 1144 107 TYR CB C 38.59 0.15 1 1145 107 TYR HB2 H 3.06 0.02 2 1146 107 TYR HB3 H 2.95 0.02 2 1147 107 TYR HD1 H 7.08 0.02 1 1148 107 TYR HD2 H 7.08 0.02 1 1149 107 TYR HE1 H 6.78 0.02 1 1150 107 TYR HE2 H 6.78 0.02 1 1151 107 TYR CD1 C 133.29 0.15 1 1152 107 TYR CE1 C 118.29 0.15 1 1153 107 TYR C C 176.47 0.15 1 1154 108 GLY N N 110.74 0.15 1 1155 108 GLY H H 8.18 0.02 1 1156 108 GLY CA C 45.59 0.15 1 1157 108 GLY HA2 H 3.87 0.02 2 1158 108 GLY HA3 H 3.80 0.02 2 1159 108 GLY C C 173.87 0.15 1 1160 109 LYS N N 120.94 0.15 1 1161 109 LYS H H 8.01 0.02 1 1162 109 LYS CA C 56.39 0.15 1 1163 109 LYS HA H 4.29 0.02 1 1164 109 LYS CB C 33.19 0.15 1 1165 109 LYS HB2 H 1.75 0.02 1 1166 109 LYS HB3 H 1.75 0.02 1 1167 109 LYS CG C 24.99 0.15 1 1168 109 LYS HG2 H 1.35 0.02 1 1169 109 LYS HG3 H 1.35 0.02 1 1170 109 LYS CD C 29.49 0.15 1 1171 109 LYS HD2 H 1.71 0.02 1 1172 109 LYS HD3 H 1.71 0.02 1 1173 109 LYS CE C 42.29 0.15 1 1174 109 LYS C C 176.67 0.15 1 1175 110 ARG N N 122.84 0.15 1 1176 110 ARG H H 8.40 0.02 1 1177 110 ARG CA C 56.49 0.15 1 1178 110 ARG HA H 4.38 0.02 1 1179 110 ARG CB C 31.09 0.15 1 1180 110 ARG CG C 26.69 0.15 1 1181 110 ARG CD C 43.59 0.15 1 1182 110 ARG C C 176.67 0.15 1 1183 111 THR N N 115.24 0.15 1 1184 111 THR H H 8.23 0.02 1 1185 111 THR CA C 62.09 0.15 1 1186 111 THR HA H 4.28 0.02 1 1187 111 THR CB C 70.09 0.15 1 1188 111 THR HG2 H 1.16 0.02 1 1189 111 THR CG2 C 21.69 0.15 1 1190 111 THR C C 174.27 0.15 1 1191 112 ASP N N 122.84 0.15 1 1192 112 ASP H H 8.34 0.02 1 1193 112 ASP CA C 54.49 0.15 1 1194 112 ASP HA H 4.59 0.02 1 1195 112 ASP CB C 41.49 0.15 1 1196 112 ASP HB2 H 2.65 0.02 1 1197 112 ASP HB3 H 2.65 0.02 1 1198 112 ASP C C 176.07 0.15 1 1199 113 SER N N 116.14 0.15 1 1200 113 SER H H 8.16 0.02 1 1201 113 SER CA C 58.79 0.15 1 1202 113 SER HA H 4.42 0.02 1 1203 113 SER CB C 63.89 0.15 1 1204 113 SER HB2 H 3.83 0.02 1 1205 113 SER HB3 H 3.83 0.02 1 1206 113 SER C C 174.47 0.15 1 1207 114 VAL N N 122.14 0.15 1 1208 114 VAL H H 8.05 0.02 1 1209 114 VAL CA C 62.89 0.15 1 1210 114 VAL HA H 4.02 0.02 1 1211 114 VAL CB C 33.09 0.15 1 1212 114 VAL HB H 2.03 0.02 1 1213 114 VAL HG1 H 0.88 0.02 2 1214 114 VAL CG1 C 21.29 0.15 1 1215 114 VAL C C 176.17 0.15 1 1216 115 ARG N N 124.34 0.15 1 1217 115 ARG H H 8.21 0.02 1 1218 115 ARG CA C 56.19 0.15 1 1219 115 ARG HA H 4.14 0.02 1 1220 115 ARG CB C 30.99 0.15 1 1221 115 ARG HB2 H 1.58 0.02 1 1222 115 ARG HB3 H 1.58 0.02 1 1223 115 ARG C C 175.77 0.15 1 1224 116 ALA N N 125.04 0.15 1 1225 116 ALA H H 8.15 0.02 1 1226 116 ALA CA C 52.69 0.15 1 1227 116 ALA HA H 4.22 0.02 1 1228 116 ALA HB H 1.27 0.02 1 1229 116 ALA CB C 19.19 0.15 1 1230 116 ALA C C 177.07 0.15 1 1231 117 TRP N N 120.44 0.15 1 1232 117 TRP H H 7.95 0.02 1 1233 117 TRP CA C 57.29 0.15 1 1234 117 TRP HA H 4.61 0.02 1 1235 117 TRP CB C 29.79 0.15 1 1236 117 TRP HB2 H 3.22 0.02 1 1237 117 TRP HB3 H 3.22 0.02 1 1238 117 TRP CD1 C 127.29 0.15 1 1239 117 TRP NE1 N 129.60 0.15 1 1240 117 TRP HD1 H 7.19 0.02 1 1241 117 TRP CZ2 C 114.59 0.15 1 1242 117 TRP HE1 H 10.10 0.02 1 1243 117 TRP CH2 C 124.59 0.15 1 1244 117 TRP HZ2 H 7.43 0.02 1 1245 117 TRP HH2 H 7.17 0.02 1 1246 117 TRP C C 175.67 0.15 1 1247 118 LYS N N 123.44 0.15 1 1248 118 LYS H H 7.87 0.02 1 1249 118 LYS CA C 55.99 0.15 1 1250 118 LYS HA H 4.17 0.02 1 1251 118 LYS CB C 33.69 0.15 1 1252 118 LYS HB2 H 1.66 0.02 1 1253 118 LYS HB3 H 1.66 0.02 1 1254 118 LYS CG C 24.69 0.15 1 1255 118 LYS HG2 H 1.18 0.02 1 1256 118 LYS HG3 H 1.18 0.02 1 1257 118 LYS CD C 29.59 0.15 1 1258 118 LYS HD2 H 1.53 0.02 1 1259 118 LYS HD3 H 1.53 0.02 1 1260 118 LYS CE C 42.29 0.15 1 1261 118 LYS C C 175.47 0.15 1 1262 119 LYS N N 124.04 0.15 1 1263 119 LYS H H 8.11 0.02 1 1264 119 LYS CA C 56.69 0.15 1 1265 119 LYS HA H 4.12 0.02 1 1266 119 LYS CB C 33.29 0.15 1 1267 119 LYS HB2 H 1.72 0.02 1 1268 119 LYS HB3 H 1.72 0.02 1 1269 119 LYS CG C 24.79 0.15 1 1270 119 LYS HG2 H 1.39 0.02 1 1271 119 LYS HG3 H 1.39 0.02 1 1272 119 LYS CD C 29.39 0.15 1 1273 119 LYS HD2 H 1.64 0.02 1 1274 119 LYS HD3 H 1.64 0.02 1 1275 119 LYS CE C 42.29 0.15 1 1276 119 LYS C C 175.37 0.15 1 1277 120 LYS N N 128.74 0.15 1 1278 120 LYS H H 7.92 0.02 1 1279 120 LYS CA C 57.99 0.15 1 1280 120 LYS HA H 4.09 0.02 1 1281 120 LYS CB C 34.19 0.15 1 1282 120 LYS HB2 H 1.72 0.02 1 1283 120 LYS HB3 H 1.72 0.02 1 1284 120 LYS HG2 H 1.33 0.02 1 1285 120 LYS HG3 H 1.33 0.02 1 1286 120 LYS HD2 H 1.64 0.02 1 1287 120 LYS HD3 H 1.64 0.02 1 1288 120 LYS C C 181.07 0.15 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref-1 _Saveframe_category citation _PubMed_ID 8520220 _Citation_full ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. 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J Mol Biol. 2002 May 24;319(1):209-27. ; save_ save_ref-6 _Saveframe_category citation _PubMed_ID 12565051 _Citation_full ; Schwieters CD, Kuszewski JJ, Tjandra N, Marius Clore G. The Xplor-NIH NMR molecular structure determination package. J Magn Reson. 2003 Jan;160(1):65-73. ; save_