data_6225 #Corrected using PDB structure: 2GS0A # #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 # 59 M HA 5.58 4.57 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.01 0.00 -0.20 0.16 -0.21 -0.01 # #bmr6225.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6225.str file): #HA CA CB CO N HN #N/A -0.10 -0.10 +0.16 -0.21 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.15 +/-0.16 +/-0.13 +/-0.32 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.863 0.968 0.996 0.818 0.860 0.658 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.162 0.771 0.816 0.682 1.637 0.314 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C Resonance Assignment of the Amino-terminal Domain of Tfb1 subunit of yeast TFIIH ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nguyen Bao D. . 2 "Di Lello" Paola . . 3 Legault Pascale . . 4 Ominchinski James G. . stop_ _BMRB_accession_number 6225 _BMRB_flat_file_name bmr6225.str _Entry_type new _Submission_date 2004-06-04 _Accession_date 2004-06-07 _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' 681 '15N chemical shifts' 124 '13C chemical shifts' 497 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: 1H, 15N, and 13C Resonance Assignment of the Amino-terminal Domain of Tfb1 subunit of yeast TFIIH ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nguyen Bao D. . 2 "Di Lello" Paola . . 3 Legault Pascale . . 4 Ominchinski James G. . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 31 _Journal_issue 2 _Page_first 173 _Page_last 174 _Year 2005 loop_ _Keyword "TFIIH" "Tfb1" "p62" "NMR assignment" stop_ save_ ################################## # Molecular system description # ################################## save_system_Tfb1 _Saveframe_category molecular_system _Mol_system_name Tfb1 _Abbreviation_common Tfb1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "Tfb1" $Tfb1 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' save_ ######################## # Monomeric polymers # ######################## save_Tfb1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Yeast Tfb1" _Name_variant . _Abbreviation_common Tfb1 _Mol_thiol_state 'not present' _Details ; The peptide bond between residues 23 and 24 is in the cis conformation. The four amino acids (G,N,S,S) at the carboxyl-terminus result from the cloning procedure. Also a mutation of the first amino acid (MET1) into a proline is a result of the cloning procedure. ; ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; PSHSGAAIFEKVSGIIAINE DVSPAELTWRSTDGDKVHTV VLSTIDKLQATPASSEKMML RLIGKVDESKKRKDNEGNEV VPKPQRHMFSFNNRTVMDNI KMTLQQIISRYKDADGNSS ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 SER 3 HIS 4 SER 5 GLY 6 ALA 7 ALA 8 ILE 9 PHE 10 GLU 11 LYS 12 VAL 13 SER 14 GLY 15 ILE 16 ILE 17 ALA 18 ILE 19 ASN 20 GLU 21 ASP 22 VAL 23 SER 24 PRO 25 ALA 26 GLU 27 LEU 28 THR 29 TRP 30 ARG 31 SER 32 THR 33 ASP 34 GLY 35 ASP 36 LYS 37 VAL 38 HIS 39 THR 40 VAL 41 VAL 42 LEU 43 SER 44 THR 45 ILE 46 ASP 47 LYS 48 LEU 49 GLN 50 ALA 51 THR 52 PRO 53 ALA 54 SER 55 SER 56 GLU 57 LYS 58 MET 59 MET 60 LEU 61 ARG 62 LEU 63 ILE 64 GLY 65 LYS 66 VAL 67 ASP 68 GLU 69 SER 70 LYS 71 LYS 72 ARG 73 LYS 74 ASP 75 ASN 76 GLU 77 GLY 78 ASN 79 GLU 80 VAL 81 VAL 82 PRO 83 LYS 84 PRO 85 GLN 86 ARG 87 HIS 88 MET 89 PHE 90 SER 91 PHE 92 ASN 93 ASN 94 ARG 95 THR 96 VAL 97 MET 98 ASP 99 ASN 100 ILE 101 LYS 102 MET 103 THR 104 LEU 105 GLN 106 GLN 107 ILE 108 ILE 109 SER 110 ARG 111 TYR 112 LYS 113 ASP 114 ALA 115 ASP 116 GLY 117 ASN 118 SER 119 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 1Y5O "A Chain A, Nmr Structure Of The Amino-TerminalDomain From The Tfb1 Subunit Of Yeast Tfiih" 103.48 115 100 100 1e-58 GenBank AAA35143.1 "RNA polymerase II transcription factor b,73 kDa subunit" 18.54 642 100 100 1e-58 GenBank AAB64747.1 "Tfb1: RNA Polymerase II transcriptionfactor B 73 kD subunit (Swiss Prot. accession numberP32776) [Saccharomyces cerevisiae]" 18.54 642 100 100 1e-58 GenBank AAU09707.1 "YDR311W [Saccharomyces cerevisiae]" 18.54 642 100 100 1e-58 REF NP_010597.1 "Subunit of TFIIH and nucleotideexcision repair factor 3 complexes, required fornucleotide excision repair, target for transcriptionalactivators; Tfb1p [Saccharomyces cerevisiae]" 18.54 642 100 100 1e-58 SWISS-PROT P32776 "TFB1_YEAST RNA polymerase II transcriptionfactor B subunit 1 (RNA polymerase II transcriptionfactor B p73 subunit) (RNA polymerase II transcriptionfactor B 73 kDa subunit)" 18.54 642 100 100 1e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Tfb1 "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 $Tfb1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tfb1 1.2 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tfb1 1.2 mM "[U-98% 15N]" stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tfb1 1.2 mM "[U-98% 13C; U-98% 15N]" stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Saveframe_category software _Name NMRPIPE loop_ _Task "data processing" stop_ save_ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 5.3 loop_ _Task "data analysis" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N HSQC 1H-13C CT-HSQC 1H-15N NOESY-HSQC HNCACB (HB)CBCA(CO)NNH HNCO H(CCO)NNH-TOCSY C(CO)NNH-TOCSY 1H-13C HMQC-NOESY 1H-15N NOESY_HSQC NOESY DQF-COSY (HB)CB(CGCD)HD (HB)CB(CGCDCE)HE ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.5 0.1 pH temperature 300 0.1 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 . . . 0.101329118 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 (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_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "Tfb1" 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 PRO CA C 63.90 0.35 1 2 1 PRO HA H 4.57 0.02 1 3 1 PRO CB C 31.95 0.35 1 4 1 PRO HB3 H 1.92 0.02 2 5 1 PRO HB2 H 2.33 0.02 2 6 1 PRO CG C 27.43 0.35 1 7 1 PRO HG3 H 2.01 0.02 2 8 1 PRO HG2 H 2.05 0.02 2 9 1 PRO CD C 50.89 0.35 1 10 1 PRO HD3 H 3.80 0.02 2 11 1 PRO HD2 H 3.86 0.02 2 12 2 SER N N 112.71 0.10 1 13 2 SER H H 8.03 0.02 1 14 2 SER CA C 58.75 0.35 1 15 2 SER HA H 4.28 0.02 1 16 2 SER CB C 63.45 0.35 1 17 2 SER HB3 H 3.75 0.02 2 18 2 SER HB2 H 3.84 0.02 2 19 3 HIS CA C 56.60 0.35 1 20 3 HIS HA H 4.60 0.02 1 21 3 HIS CB C 31.55 0.35 1 22 3 HIS HB3 H 2.90 0.02 2 23 3 HIS HB2 H 3.57 0.02 2 24 3 HIS CD2 C 117.90 0.35 1 25 3 HIS HD2 H 7.05 0.02 1 26 3 HIS CE1 C 138.00 0.35 1 27 3 HIS HE1 H 8.08 0.02 1 28 3 HIS C C 174.08 0.35 1 29 4 SER N N 113.43 0.10 1 30 4 SER H H 7.82 0.02 1 31 4 SER CA C 57.04 0.35 1 32 4 SER HA H 5.42 0.02 1 33 4 SER CB C 66.02 0.35 1 34 4 SER HB3 H 3.84 0.02 1 35 4 SER HB2 H 3.84 0.02 1 36 4 SER C C 173.64 0.35 1 37 5 GLY N N 106.86 0.10 1 38 5 GLY H H 8.31 0.02 1 39 5 GLY CA C 45.50 0.35 1 40 5 GLY HA3 H 4.04 0.02 2 41 5 GLY HA2 H 4.22 0.02 2 42 5 GLY C C 171.03 0.35 1 43 6 ALA N N 125.19 0.10 1 44 6 ALA H H 8.63 0.02 1 45 6 ALA CA C 52.68 0.35 1 46 6 ALA HA H 4.91 0.02 1 47 6 ALA CB C 19.37 0.35 1 48 6 ALA HB H 1.51 0.02 1 49 6 ALA C C 176.87 0.35 1 50 7 ALA N N 119.88 0.10 1 51 7 ALA H H 8.36 0.02 1 52 7 ALA CA C 51.68 0.35 1 53 7 ALA HA H 4.58 0.02 1 54 7 ALA CB C 23.95 0.35 1 55 7 ALA HB H 0.94 0.02 1 56 7 ALA C C 176.70 0.35 1 57 8 ILE N N 125.17 0.10 1 58 8 ILE H H 9.30 0.02 1 59 8 ILE CA C 59.99 0.35 1 60 8 ILE HA H 4.93 0.02 1 61 8 ILE CB C 39.54 0.35 1 62 8 ILE HB H 1.51 0.02 1 63 8 ILE CG1 C 28.80 0.35 1 64 8 ILE HG13 H 0.92 0.02 2 65 8 ILE HG12 H 1.43 0.02 2 66 8 ILE CD1 C 13.54 0.35 1 67 8 ILE HD1 H 0.72 0.02 1 68 8 ILE CG2 C 17.28 0.35 1 69 8 ILE HG2 H 0.56 0.02 1 70 8 ILE C C 175.32 0.35 1 71 9 PHE N N 128.58 0.10 1 72 9 PHE H H 8.46 0.02 1 73 9 PHE CA C 56.21 0.35 1 74 9 PHE HA H 4.29 0.02 1 75 9 PHE CB C 39.47 0.35 1 76 9 PHE HB3 H 0.30 0.02 2 77 9 PHE HB2 H 1.08 0.02 2 78 9 PHE CD1 C 131.60 0.35 1 79 9 PHE HD1 H 6.15 0.02 1 80 9 PHE HE1 H 6.57 0.02 1 81 9 PHE CZ C 128.60 0.35 1 82 9 PHE HZ H 6.32 0.02 1 83 9 PHE HE2 H 6.57 0.02 1 84 9 PHE CD2 C 131.60 0.35 1 85 9 PHE HD2 H 6.15 0.02 1 86 9 PHE C C 174.17 0.35 1 87 10 GLU N N 126.25 0.10 1 88 10 GLU H H 8.76 0.02 1 89 10 GLU CA C 56.76 0.35 1 90 10 GLU HA H 3.14 0.02 1 91 10 GLU CB C 26.65 0.35 1 92 10 GLU HB3 H 1.19 0.02 2 93 10 GLU HB2 H 1.54 0.02 2 94 10 GLU CG C 35.23 0.35 1 95 10 GLU HG3 H 0.75 0.02 2 96 10 GLU HG2 H 0.84 0.02 2 97 10 GLU C C 175.30 0.35 1 98 11 LYS N N 105.72 0.10 1 99 11 LYS H H 7.90 0.02 1 100 11 LYS CA C 58.58 0.35 1 101 11 LYS HA H 3.36 0.02 1 102 11 LYS CB C 30.11 0.35 1 103 11 LYS HB3 H 1.91 0.02 2 104 11 LYS HB2 H 2.14 0.02 2 105 11 LYS CG C 25.56 0.35 1 106 11 LYS HG3 H 1.14 0.02 1 107 11 LYS HG2 H 1.14 0.02 1 108 11 LYS CD C 28.99 0.35 1 109 11 LYS HD3 H 1.52 0.02 2 110 11 LYS HD2 H 1.58 0.02 2 111 11 LYS CE C 41.99 0.35 1 112 11 LYS HE3 H 2.85 0.02 1 113 11 LYS HE2 H 2.85 0.02 1 114 11 LYS C C 175.64 0.35 1 115 12 VAL N N 123.63 0.10 1 116 12 VAL H H 7.90 0.02 1 117 12 VAL CA C 61.86 0.35 1 118 12 VAL HA H 4.37 0.02 1 119 12 VAL CB C 34.21 0.35 1 120 12 VAL HB H 2.50 0.02 1 121 12 VAL CG2 C 21.93 0.35 2 122 12 VAL HG2 H 1.08 0.02 2 123 12 VAL CG1 C 22.33 0.35 2 124 12 VAL HG1 H 1.44 0.02 2 125 12 VAL C C 175.23 0.35 1 126 13 SER N N 121.85 0.10 1 127 13 SER H H 8.88 0.02 1 128 13 SER CA C 59.88 0.35 1 129 13 SER HA H 4.58 0.02 1 130 13 SER CB C 63.77 0.35 1 131 13 SER HB3 H 4.00 0.02 2 132 13 SER HB2 H 3.95 0.02 2 133 13 SER C C 175.42 0.35 1 134 14 GLY N N 112.96 0.10 1 135 14 GLY H H 8.29 0.02 1 136 14 GLY CA C 46.61 0.35 1 137 14 GLY HA3 H 4.08 0.02 2 138 14 GLY HA2 H 4.30 0.02 2 139 14 GLY C C 172.84 0.35 1 140 15 ILE N N 122.92 0.10 1 141 15 ILE H H 8.27 0.02 1 142 15 ILE CA C 59.38 0.35 1 143 15 ILE HA H 4.76 0.02 1 144 15 ILE CB C 41.58 0.35 1 145 15 ILE HB H 1.63 0.02 1 146 15 ILE CG1 C 27.57 0.35 1 147 15 ILE HG13 H 1.04 0.02 2 148 15 ILE HG12 H 1.32 0.02 2 149 15 ILE CD1 C 12.14 0.35 1 150 15 ILE HD1 H 0.73 0.02 1 151 15 ILE CG2 C 17.26 0.35 1 152 15 ILE HG2 H 0.73 0.02 1 153 15 ILE C C 175.60 0.35 1 154 16 ILE N N 127.40 0.10 1 155 16 ILE H H 9.39 0.02 1 156 16 ILE CA C 59.98 0.35 1 157 16 ILE HA H 4.88 0.02 1 158 16 ILE CB C 41.47 0.35 1 159 16 ILE HB H 1.59 0.02 1 160 16 ILE CG1 C 29.77 0.35 1 161 16 ILE HG13 H 0.71 0.02 2 162 16 ILE HG12 H 1.53 0.02 2 163 16 ILE CD1 C 13.82 0.35 1 164 16 ILE HD1 H 0.10 0.02 1 165 16 ILE CG2 C 16.72 0.35 1 166 16 ILE HG2 H 0.71 0.02 1 167 16 ILE C C 173.53 0.35 1 168 17 ALA N N 127.72 0.10 1 169 17 ALA H H 8.96 0.02 1 170 17 ALA CA C 51.41 0.35 1 171 17 ALA HA H 5.06 0.02 1 172 17 ALA CB C 22.04 0.35 1 173 17 ALA HB H 1.32 0.02 1 174 17 ALA C C 176.33 0.35 1 175 18 ILE N N 122.29 0.10 1 176 18 ILE H H 8.69 0.02 1 177 18 ILE CA C 60.84 0.35 1 178 18 ILE HA H 4.52 0.02 1 179 18 ILE CB C 39.00 0.35 1 180 18 ILE HB H 1.83 0.02 1 181 18 ILE CG1 C 28.40 0.35 1 182 18 ILE HG13 H 1.50 0.02 1 183 18 ILE HG12 H 1.50 0.02 1 184 18 ILE CD1 C 14.87 0.35 1 185 18 ILE HD1 H 0.78 0.02 1 186 18 ILE CG2 C 17.80 0.35 1 187 18 ILE HG2 H 0.69 0.02 1 188 18 ILE C C 174.35 0.35 1 189 19 ASN N N 127.36 0.10 1 190 19 ASN H H 9.36 0.02 1 191 19 ASN CA C 51.67 0.35 1 192 19 ASN HA H 5.05 0.02 1 193 19 ASN CB C 39.66 0.35 1 194 19 ASN HB3 H 2.72 0.02 2 195 19 ASN HB2 H 3.10 0.02 2 196 19 ASN CG C 176.60 0.35 1 197 19 ASN ND2 N 110.85 0.10 1 198 19 ASN HD21 H 7.69 0.02 2 199 19 ASN HD22 H 6.85 0.02 2 200 19 ASN C C 174.87 0.35 1 201 20 GLU N N 121.34 0.10 1 202 20 GLU H H 9.04 0.02 1 203 20 GLU CA C 55.98 0.35 1 204 20 GLU HA H 4.66 0.02 1 205 20 GLU CB C 30.84 0.35 1 206 20 GLU HB3 H 2.39 0.02 2 207 20 GLU HB2 H 1.97 0.02 2 208 20 GLU CG C 39.00 0.35 1 209 20 GLU HG3 H 2.03 0.02 2 210 20 GLU HG2 H 2.16 0.02 2 211 20 GLU C C 176.27 0.35 1 212 21 ASP N N 120.88 0.10 1 213 21 ASP H H 8.70 0.02 1 214 21 ASP CA C 55.60 0.35 1 215 21 ASP HA H 4.57 0.02 1 216 21 ASP CB C 40.48 0.35 1 217 21 ASP HB3 H 2.85 0.02 2 218 21 ASP HB2 H 2.79 0.02 2 219 21 ASP C C 175.79 0.35 1 220 22 VAL N N 112.87 0.10 1 221 22 VAL H H 6.81 0.02 1 222 22 VAL CA C 59.13 0.35 1 223 22 VAL HA H 4.28 0.02 1 224 22 VAL CB C 33.93 0.35 1 225 22 VAL HB H 1.96 0.02 1 226 22 VAL CG2 C 17.98 0.35 2 227 22 VAL HG2 H 0.74 0.02 2 228 22 VAL CG1 C 21.17 0.35 2 229 22 VAL HG1 H 0.79 0.02 2 230 22 VAL C C 173.52 0.35 1 231 23 SER N N 114.81 0.10 1 232 23 SER H H 8.04 0.02 1 233 23 SER CA C 53.78 0.35 1 234 23 SER HA H 4.70 0.02 1 235 23 SER CB C 64.80 0.35 1 236 23 SER HB3 H 3.70 0.02 2 237 23 SER HB2 H 3.59 0.02 2 238 24 PRO CA C 62.81 0.35 1 239 24 PRO HA H 4.73 0.02 1 240 24 PRO CB C 34.68 0.35 1 241 24 PRO HB3 H 1.78 0.02 2 242 24 PRO HB2 H 2.08 0.02 2 243 24 PRO CG C 25.92 0.35 1 244 24 PRO HG3 H 1.80 0.02 2 245 24 PRO HG2 H 1.76 0.02 2 246 24 PRO CD C 49.66 0.35 1 247 24 PRO HD3 H 3.44 0.02 1 248 24 PRO HD2 H 3.44 0.02 1 249 24 PRO C C 174.86 0.35 1 250 25 ALA N N 120.21 0.10 1 251 25 ALA H H 7.93 0.02 1 252 25 ALA CA C 52.64 0.35 1 253 25 ALA HA H 4.48 0.02 1 254 25 ALA CB C 20.51 0.35 1 255 25 ALA HB H 1.51 0.02 1 256 25 ALA C C 175.82 0.35 1 257 26 GLU N N 115.21 0.10 1 258 26 GLU H H 7.84 0.02 1 259 26 GLU CA C 54.08 0.35 1 260 26 GLU HA H 4.99 0.02 1 261 26 GLU CB C 34.50 0.35 1 262 26 GLU HB3 H 1.68 0.02 2 263 26 GLU HB2 H 1.74 0.02 2 264 26 GLU CG C 36.04 0.35 1 265 26 GLU HG3 H 1.94 0.02 2 266 26 GLU HG2 H 2.31 0.02 2 267 26 GLU C C 174.69 0.35 1 268 27 LEU N N 124.21 0.10 1 269 27 LEU H H 8.86 0.02 1 270 27 LEU CA C 53.76 0.35 1 271 27 LEU HA H 5.00 0.02 1 272 27 LEU CB C 45.62 0.35 1 273 27 LEU HB3 H 1.57 0.02 2 274 27 LEU HB2 H 1.36 0.02 2 275 27 LEU CG C 27.24 0.35 1 276 27 LEU HG H 1.37 0.02 1 277 27 LEU CD1 C 27.24 0.35 2 278 27 LEU HD1 H 0.62 0.02 2 279 27 LEU CD2 C 25.67 0.35 2 280 27 LEU HD2 H 0.52 0.02 2 281 27 LEU C C 174.80 0.35 1 282 28 THR N N 121.44 0.10 1 283 28 THR H H 9.25 0.02 1 284 28 THR CA C 61.21 0.35 1 285 28 THR HA H 5.19 0.02 1 286 28 THR CB C 71.59 0.35 1 287 28 THR HB H 3.91 0.02 1 288 28 THR CG2 C 21.95 0.35 1 289 28 THR HG2 H 1.09 0.02 1 290 28 THR C C 172.83 0.35 1 291 29 TRP N N 128.77 0.10 1 292 29 TRP H H 9.44 0.02 1 293 29 TRP CA C 55.78 0.35 1 294 29 TRP HA H 5.38 0.02 1 295 29 TRP CB C 32.01 0.35 1 296 29 TRP HB3 H 2.74 0.02 2 297 29 TRP HB2 H 3.10 0.02 2 298 29 TRP CD1 C 124.35 0.35 1 299 29 TRP HD1 H 6.62 0.02 1 300 29 TRP NE1 N 126.16 0.10 1 301 29 TRP HE1 H 9.45 0.02 1 302 29 TRP CZ2 C 114.56 0.35 1 303 29 TRP HZ2 H 7.60 0.02 1 304 29 TRP HH2 H 7.08 0.02 1 305 29 TRP HZ3 H 6.90 0.02 1 306 29 TRP HE3 H 7.32 0.02 1 307 29 TRP C C 173.99 0.35 1 308 30 ARG N N 126.14 0.10 1 309 30 ARG H H 7.58 0.02 1 310 30 ARG CA C 53.41 0.35 1 311 30 ARG HA H 4.77 0.02 1 312 30 ARG CB C 33.72 0.35 1 313 30 ARG HB3 H 1.39 0.02 2 314 30 ARG HB2 H 1.52 0.02 2 315 30 ARG CG C 27.44 0.35 1 316 30 ARG HG3 H 1.42 0.02 2 317 30 ARG HG2 H 1.56 0.02 2 318 30 ARG CD C 43.32 0.35 1 319 30 ARG HD3 H 3.00 0.02 2 320 30 ARG HD2 H 3.06 0.02 2 321 30 ARG NE N 111.05 0.10 1 322 30 ARG HE H 7.11 0.02 1 323 30 ARG C C 174.95 0.35 1 324 31 SER N N 118.31 0.10 1 325 31 SER H H 8.06 0.02 1 326 31 SER CA C 57.88 0.35 1 327 31 SER HA H 4.04 0.02 1 328 31 SER CB C 64.22 0.35 1 329 31 SER HB3 H 3.96 0.02 2 330 31 SER HB2 H 4.43 0.02 2 331 31 SER C C 176.51 0.35 1 332 32 THR N N 119.06 0.10 1 333 32 THR H H 8.53 0.02 1 334 32 THR CA C 66.22 0.35 1 335 32 THR HA H 3.82 0.02 1 336 32 THR CB C 68.61 0.35 1 337 32 THR HB H 4.08 0.02 1 338 32 THR CG2 C 22.22 0.35 1 339 32 THR HG2 H 1.18 0.02 1 340 32 THR C C 175.72 0.35 1 341 33 ASP N N 117.09 0.10 1 342 33 ASP H H 8.21 0.02 1 343 33 ASP CA C 54.38 0.35 1 344 33 ASP HA H 4.59 0.02 1 345 33 ASP CB C 41.01 0.35 1 346 33 ASP HB3 H 2.68 0.02 2 347 33 ASP HB2 H 2.74 0.02 2 348 33 ASP C C 177.17 0.35 1 349 34 GLY N N 109.01 0.10 1 350 34 GLY H H 7.92 0.02 1 351 34 GLY CA C 45.48 0.35 1 352 34 GLY HA3 H 3.50 0.02 2 353 34 GLY HA2 H 4.09 0.02 2 354 34 GLY C C 173.88 0.35 1 355 35 ASP N N 117.81 0.10 1 356 35 ASP H H 8.24 0.02 1 357 35 ASP CA C 54.82 0.35 1 358 35 ASP HA H 4.45 0.02 1 359 35 ASP CB C 41.06 0.35 1 360 35 ASP HB3 H 2.62 0.02 2 361 35 ASP HB2 H 2.68 0.02 2 362 35 ASP C C 175.47 0.35 1 363 36 LYS N N 120.10 0.10 1 364 36 LYS H H 7.75 0.02 1 365 36 LYS CA C 55.66 0.35 1 366 36 LYS HA H 4.78 0.02 1 367 36 LYS CB C 35.79 0.35 1 368 36 LYS HB3 H 1.90 0.02 2 369 36 LYS HB2 H 2.14 0.02 2 370 36 LYS CG C 25.22 0.35 1 371 36 LYS HG3 H 1.59 0.02 2 372 36 LYS HG2 H 1.70 0.02 2 373 36 LYS CD C 29.65 0.35 1 374 36 LYS HD3 H 1.95 0.02 1 375 36 LYS HD2 H 1.95 0.02 1 376 36 LYS CE C 42.39 0.35 1 377 36 LYS HE3 H 3.13 0.02 2 378 36 LYS HE2 H 3.16 0.02 2 379 36 LYS C C 174.66 0.35 1 380 37 VAL N N 121.58 0.10 1 381 37 VAL H H 8.52 0.02 1 382 37 VAL CA C 60.27 0.35 1 383 37 VAL HA H 5.25 0.02 1 384 37 VAL CB C 35.84 0.35 1 385 37 VAL HB H 1.99 0.02 1 386 37 VAL CG2 C 20.90 0.35 1 387 37 VAL HG2 H 0.88 0.02 1 388 37 VAL CG1 C 20.90 0.35 1 389 37 VAL HG1 H 0.88 0.02 1 390 37 VAL C C 175.24 0.35 1 391 38 HIS N N 126.23 0.10 1 392 38 HIS H H 9.63 0.02 1 393 38 HIS CA C 56.21 0.35 1 394 38 HIS HA H 5.00 0.02 1 395 38 HIS CB C 34.42 0.35 1 396 38 HIS HB3 H 2.72 0.02 1 397 38 HIS HB2 H 2.72 0.02 1 398 38 HIS CD2 C 116.50 0.35 1 399 38 HIS HD2 H 6.01 0.02 1 400 38 HIS CE1 C 138.60 0.35 1 401 38 HIS HE1 H 8.33 0.02 1 402 38 HIS C C 173.53 0.35 1 403 39 THR N N 124.02 0.10 1 404 39 THR H H 8.32 0.02 1 405 39 THR CA C 61.55 0.35 1 406 39 THR HA H 5.11 0.02 1 407 39 THR CB C 70.94 0.35 1 408 39 THR HB H 3.70 0.02 1 409 39 THR CG2 C 21.46 0.35 1 410 39 THR HG2 H 0.93 0.02 1 411 39 THR C C 173.22 0.35 1 412 40 VAL N N 125.80 0.10 1 413 40 VAL H H 9.37 0.02 1 414 40 VAL CA C 60.42 0.35 1 415 40 VAL HA H 3.85 0.02 1 416 40 VAL CB C 34.28 0.35 1 417 40 VAL HB H 1.71 0.02 1 418 40 VAL CG2 C 19.60 0.35 1 419 40 VAL HG2 H 0.22 0.02 1 420 40 VAL CG1 C 21.24 0.35 1 421 40 VAL HG1 H 0.35 0.02 1 422 40 VAL C C 174.85 0.35 1 423 41 VAL N N 129.61 0.10 1 424 41 VAL H H 9.04 0.02 1 425 41 VAL CA C 63.79 0.35 1 426 41 VAL HA H 3.91 0.02 1 427 41 VAL CB C 30.86 0.35 1 428 41 VAL HB H 2.01 0.02 1 429 41 VAL CG2 C 21.48 0.35 1 430 41 VAL HG2 H 0.98 0.02 2 431 41 VAL CG1 C 21.48 0.35 1 432 41 VAL HG1 H 0.92 0.02 2 433 41 VAL C C 179.45 0.35 1 434 42 LEU N N 129.99 0.10 1 435 42 LEU H H 9.17 0.02 1 436 42 LEU CA C 58.67 0.35 1 437 42 LEU HA H 3.89 0.02 1 438 42 LEU CB C 40.68 0.35 1 439 42 LEU HB3 H 1.42 0.02 2 440 42 LEU HB2 H 1.79 0.02 2 441 42 LEU CG C 27.51 0.35 1 442 42 LEU HG H 1.66 0.02 1 443 42 LEU CD1 C 26.58 0.35 2 444 42 LEU HD1 H 0.71 0.02 2 445 42 LEU CD2 C 22.68 0.35 2 446 42 LEU HD2 H 0.67 0.02 2 447 42 LEU C C 176.30 0.35 1 448 43 SER N N 109.46 0.10 1 449 43 SER H H 6.94 0.02 1 450 43 SER CA C 59.64 0.35 1 451 43 SER HA H 3.89 0.02 1 452 43 SER CB C 61.41 0.35 1 453 43 SER HB3 H 2.56 0.02 2 454 43 SER HB2 H 3.75 0.02 2 455 43 SER C C 175.55 0.35 1 456 44 THR N N 110.09 0.10 1 457 44 THR H H 7.63 0.02 1 458 44 THR CA C 62.22 0.35 1 459 44 THR HA H 4.48 0.02 1 460 44 THR CB C 70.06 0.35 1 461 44 THR HB H 4.62 0.02 1 462 44 THR CG2 C 21.03 0.35 1 463 44 THR HG2 H 1.19 0.02 1 464 44 THR C C 173.75 0.35 1 465 45 ILE N N 120.80 0.10 1 466 45 ILE H H 7.10 0.02 1 467 45 ILE CA C 58.02 0.35 1 468 45 ILE HA H 4.28 0.02 1 469 45 ILE CB C 36.30 0.35 1 470 45 ILE HB H 2.28 0.02 1 471 45 ILE CG1 C 27.10 0.35 1 472 45 ILE HG13 H 1.02 0.02 2 473 45 ILE HG12 H 1.69 0.02 2 474 45 ILE CD1 C 8.90 0.35 1 475 45 ILE HD1 H 0.58 0.02 1 476 45 ILE CG2 C 18.96 0.35 1 477 45 ILE HG2 H 0.87 0.02 1 478 45 ILE C C 173.83 0.35 1 479 46 ASP N N 126.19 0.10 1 480 46 ASP H H 9.32 0.02 1 481 46 ASP CA C 54.86 0.35 1 482 46 ASP HA H 4.62 0.02 1 483 46 ASP CB C 44.71 0.35 1 484 46 ASP HB3 H 2.42 0.02 2 485 46 ASP HB2 H 2.51 0.02 2 486 46 ASP C C 175.64 0.35 1 487 47 LYS N N 112.54 0.10 1 488 47 LYS H H 7.60 0.02 1 489 47 LYS CA C 54.68 0.35 1 490 47 LYS HA H 4.70 0.02 1 491 47 LYS CB C 36.41 0.35 1 492 47 LYS HB3 H 1.69 0.02 2 493 47 LYS HB2 H 1.85 0.02 2 494 47 LYS CG C 24.23 0.35 1 495 47 LYS HG3 H 1.24 0.02 2 496 47 LYS HG2 H 1.32 0.02 2 497 47 LYS CD C 29.37 0.35 1 498 47 LYS HD3 H 1.63 0.02 1 499 47 LYS HD2 H 1.63 0.02 1 500 47 LYS CE C 42.02 0.35 1 501 47 LYS HE3 H 2.92 0.02 1 502 47 LYS HE2 H 2.92 0.02 1 503 47 LYS C C 172.93 0.35 1 504 48 LEU N N 121.79 0.10 1 505 48 LEU H H 8.69 0.02 1 506 48 LEU CA C 53.19 0.35 1 507 48 LEU HA H 5.25 0.02 1 508 48 LEU CB C 45.06 0.35 1 509 48 LEU HB3 H 1.42 0.02 2 510 48 LEU HB2 H 1.59 0.02 2 511 48 LEU CG C 26.90 0.35 1 512 48 LEU HG H 1.38 0.02 1 513 48 LEU CD1 C 26.90 0.35 1 514 48 LEU HD1 H 0.87 0.02 1 515 48 LEU CD2 C 26.90 0.35 1 516 48 LEU HD2 H 0.87 0.02 1 517 48 LEU C C 176.04 0.35 1 518 49 GLN N N 123.52 0.10 1 519 49 GLN H H 9.25 0.02 1 520 49 GLN CA C 54.44 0.35 1 521 49 GLN HA H 4.75 0.02 1 522 49 GLN CB C 31.84 0.35 1 523 49 GLN HB3 H 1.93 0.02 2 524 49 GLN HB2 H 2.03 0.02 2 525 49 GLN CG C 33.60 0.35 1 526 49 GLN HG3 H 2.19 0.02 2 527 49 GLN HG2 H 2.33 0.02 2 528 49 GLN CD C 179.50 0.35 1 529 49 GLN NE2 N 111.50 0.10 1 530 49 GLN HE21 H 7.53 0.02 2 531 49 GLN HE22 H 6.85 0.02 2 532 49 GLN C C 174.11 0.35 1 533 50 ALA N N 127.27 0.10 1 534 50 ALA H H 8.90 0.02 1 535 50 ALA CA C 50.06 0.35 1 536 50 ALA HA H 5.46 0.02 1 537 50 ALA CB C 22.70 0.35 1 538 50 ALA HB H 1.29 0.02 1 539 50 ALA C C 177.55 0.35 1 540 51 THR N N 113.88 0.10 1 541 51 THR H H 8.19 0.02 1 542 51 THR CA C 59.57 0.35 1 543 51 THR HA H 4.50 0.02 1 544 51 THR CB C 68.16 0.35 1 545 51 THR HB H 4.43 0.02 1 546 51 THR CG2 C 23.99 0.35 1 547 51 THR HG2 H 1.43 0.02 1 548 52 PRO CA C 62.40 0.35 1 549 52 PRO HA H 4.63 0.02 1 550 52 PRO CB C 32.54 0.35 1 551 52 PRO HB3 H 2.42 0.02 2 552 52 PRO HB2 H 2.11 0.02 2 553 52 PRO CG C 27.38 0.35 1 554 52 PRO HG3 H 2.13 0.02 2 555 52 PRO HG2 H 2.00 0.02 2 556 52 PRO CD C 50.02 0.35 1 557 52 PRO HD3 H 3.84 0.02 2 558 52 PRO HD2 H 3.64 0.02 2 559 53 ALA CA C 54.80 0.35 1 560 53 ALA HA H 4.03 0.02 1 561 53 ALA CB C 18.00 0.35 1 562 53 ALA HB H 1.41 0.02 1 563 53 ALA C C 177.64 0.35 1 564 54 SER N N 107.53 0.10 1 565 54 SER H H 7.63 0.02 1 566 54 SER CA C 58.16 0.35 1 567 54 SER HA H 4.23 0.02 1 568 54 SER CB C 63.02 0.35 1 569 54 SER HB3 H 3.80 0.02 2 570 54 SER HB2 H 4.05 0.02 2 571 54 SER C C 174.92 0.35 1 572 55 SER N N 116.84 0.10 1 573 55 SER H H 7.66 0.02 1 574 55 SER CA C 57.56 0.35 1 575 55 SER HA H 4.52 0.02 1 576 55 SER CB C 64.15 0.35 1 577 55 SER HB3 H 3.90 0.02 2 578 55 SER HB2 H 4.00 0.02 2 579 55 SER C C 174.91 0.35 1 580 56 GLU N N 125.46 0.10 1 581 56 GLU H H 8.92 0.02 1 582 56 GLU CA C 58.06 0.35 1 583 56 GLU HA H 4.13 0.02 1 584 56 GLU CB C 29.48 0.35 1 585 56 GLU HB3 H 2.04 0.02 2 586 56 GLU HB2 H 2.10 0.02 2 587 56 GLU CG C 36.29 0.35 1 588 56 GLU HG3 H 2.24 0.02 2 589 56 GLU HG2 H 2.34 0.02 2 590 56 GLU C C 177.46 0.35 1 591 57 LYS N N 118.74 0.10 1 592 57 LYS H H 7.97 0.02 1 593 57 LYS CA C 55.74 0.35 1 594 57 LYS HA H 4.29 0.02 1 595 57 LYS CB C 33.32 0.35 1 596 57 LYS HB3 H 1.71 0.02 2 597 57 LYS HB2 H 1.76 0.02 2 598 57 LYS CG C 25.10 0.35 1 599 57 LYS HG3 H 1.37 0.02 2 600 57 LYS HG2 H 1.46 0.02 2 601 57 LYS CD C 29.02 0.35 1 602 57 LYS HD3 H 1.65 0.02 1 603 57 LYS HD2 H 1.65 0.02 1 604 57 LYS CE C 42.08 0.35 1 605 57 LYS HE3 H 2.93 0.02 1 606 57 LYS HE2 H 2.93 0.02 1 607 57 LYS C C 176.02 0.35 1 608 58 MET N N 124.54 0.10 1 609 58 MET H H 8.82 0.02 1 610 58 MET CA C 55.29 0.35 1 611 58 MET HA H 4.31 0.02 1 612 58 MET CB C 34.92 0.35 1 613 58 MET HB3 H 2.13 0.02 2 614 58 MET HB2 H 2.40 0.02 2 615 58 MET CG C 32.30 0.35 1 616 58 MET HG3 H 2.33 0.02 1 617 58 MET HG2 H 2.33 0.02 1 618 58 MET CE C 18.70 0.35 5 619 58 MET HE H 2.05 0.02 5 620 58 MET C C 174.19 0.35 1 621 59 MET N N 122.36 0.10 1 622 59 MET H H 8.40 0.02 1 623 59 MET CA C 54.95 0.35 1 624 59 MET HA H 5.59 0.02 1 625 59 MET CB C 37.44 0.35 1 626 59 MET HB3 H 1.93 0.02 2 627 59 MET HB2 H 1.99 0.02 2 628 59 MET CG C 31.80 0.35 1 629 59 MET HG3 H 2.38 0.02 2 630 59 MET HG2 H 2.54 0.02 2 631 59 MET CE C 17.26 0.35 1 632 59 MET HE H 1.93 0.02 1 633 59 MET C C 174.30 0.35 1 634 60 LEU N N 121.41 0.10 1 635 60 LEU H H 9.14 0.02 1 636 60 LEU CA C 53.35 0.35 1 637 60 LEU HA H 5.27 0.02 1 638 60 LEU CB C 46.88 0.35 1 639 60 LEU HB3 H 1.70 0.02 2 640 60 LEU HB2 H 1.75 0.02 2 641 60 LEU CG C 26.64 0.35 1 642 60 LEU HG H 1.72 0.02 1 643 60 LEU CD1 C 24.96 0.35 2 644 60 LEU HD1 H 0.92 0.02 2 645 60 LEU CD2 C 25.19 0.35 2 646 60 LEU HD2 H 0.84 0.02 2 647 60 LEU C C 175.08 0.35 1 648 61 ARG N N 122.11 0.10 1 649 61 ARG H H 9.26 0.02 1 650 61 ARG CA C 54.36 0.35 1 651 61 ARG HA H 5.39 0.02 1 652 61 ARG CB C 33.46 0.35 1 653 61 ARG HB3 H 1.67 0.02 2 654 61 ARG HB2 H 1.75 0.02 2 655 61 ARG CG C 28.03 0.35 1 656 61 ARG HG3 H 1.36 0.02 2 657 61 ARG HG2 H 1.51 0.02 2 658 61 ARG CD C 43.70 0.35 1 659 61 ARG HD3 H 3.07 0.02 2 660 61 ARG HD2 H 3.14 0.02 2 661 61 ARG C C 174.66 0.35 1 662 62 LEU N N 125.65 0.10 1 663 62 LEU H H 9.33 0.02 1 664 62 LEU CA C 54.76 0.35 1 665 62 LEU HA H 4.97 0.02 1 666 62 LEU CB C 42.63 0.35 1 667 62 LEU HB3 H 1.66 0.02 2 668 62 LEU HB2 H 1.98 0.02 2 669 62 LEU CG C 28.96 0.35 1 670 62 LEU HG H 1.80 0.02 1 671 62 LEU CD1 C 26.63 0.35 2 672 62 LEU HD1 H 0.88 0.02 2 673 62 LEU CD2 C 25.21 0.35 2 674 62 LEU HD2 H 0.98 0.02 2 675 62 LEU C C 175.43 0.35 1 676 63 ILE N N 123.99 0.10 1 677 63 ILE H H 8.95 0.02 1 678 63 ILE CA C 60.16 0.35 1 679 63 ILE HA H 4.54 0.02 1 680 63 ILE CB C 38.46 0.35 1 681 63 ILE HB H 1.91 0.02 1 682 63 ILE CG1 C 27.50 0.35 1 683 63 ILE HG13 H 1.12 0.02 2 684 63 ILE HG12 H 1.34 0.02 2 685 63 ILE CD1 C 12.40 0.35 1 686 63 ILE HD1 H 0.70 0.02 1 687 63 ILE CG2 C 17.68 0.35 1 688 63 ILE HG2 H 1.04 0.02 1 689 63 ILE C C 176.39 0.35 1 690 64 GLY N N 115.44 0.10 1 691 64 GLY H H 9.31 0.02 1 692 64 GLY CA C 45.23 0.35 1 693 64 GLY HA3 H 4.03 0.02 2 694 64 GLY HA2 H 4.68 0.02 2 695 64 GLY C C 172.61 0.35 1 696 65 LYS N N 119.26 0.10 1 697 65 LYS H H 8.33 0.02 1 698 65 LYS CA C 56.67 0.35 1 699 65 LYS HA H 4.25 0.02 1 700 65 LYS CB C 34.37 0.35 1 701 65 LYS HB3 H 1.56 0.02 2 702 65 LYS HB2 H 1.86 0.02 2 703 65 LYS CG C 26.22 0.35 1 704 65 LYS HG3 H 1.19 0.02 2 705 65 LYS HG2 H 1.38 0.02 2 706 65 LYS CD C 29.78 0.35 1 707 65 LYS HD3 H 1.60 0.02 2 708 65 LYS HD2 H 1.69 0.02 2 709 65 LYS CE C 42.53 0.35 1 710 65 LYS HE3 H 2.82 0.02 2 711 65 LYS HE2 H 2.92 0.02 2 712 65 LYS C C 177.47 0.35 1 713 66 VAL N N 121.79 0.10 1 714 66 VAL H H 8.61 0.02 1 715 66 VAL CA C 61.97 0.35 1 716 66 VAL HA H 4.10 0.02 1 717 66 VAL CB C 33.18 0.35 1 718 66 VAL HB H 1.96 0.02 1 719 66 VAL CG2 C 21.14 0.35 2 720 66 VAL HG2 H 0.88 0.02 2 721 66 VAL CG1 C 21.46 0.35 2 722 66 VAL HG1 H 0.82 0.02 2 723 67 ASP CA C 53.04 0.35 1 724 67 ASP HA H 4.67 0.02 1 725 67 ASP CB C 40.83 0.35 1 726 67 ASP HB3 H 2.54 0.02 2 727 67 ASP HB2 H 2.79 0.02 2 728 67 ASP C C 176.69 0.35 1 729 68 GLU N N 124.21 0.10 1 730 68 GLU H H 8.73 0.02 1 731 68 GLU CA C 57.51 0.35 1 732 68 GLU HA H 4.11 0.02 1 733 68 GLU CB C 29.64 0.35 1 734 68 GLU HB3 H 1.92 0.02 2 735 68 GLU HB2 H 2.15 0.02 2 736 68 GLU CG C 36.71 0.35 1 737 68 GLU HG3 H 2.16 0.02 2 738 68 GLU HG2 H 2.31 0.02 2 739 68 GLU C C 177.51 0.35 1 740 69 SER N N 115.61 0.10 1 741 69 SER H H 8.47 0.02 1 742 69 SER CA C 60.27 0.35 1 743 69 SER HA H 4.28 0.02 1 744 69 SER CB C 63.37 0.35 1 745 69 SER HB3 H 3.93 0.02 1 746 69 SER HB2 H 3.93 0.02 1 747 69 SER C C 175.32 0.35 1 748 70 LYS N N 121.64 0.10 1 749 70 LYS H H 7.69 0.02 1 750 70 LYS CA C 55.39 0.35 1 751 70 LYS HA H 4.38 0.02 1 752 70 LYS CB C 32.49 0.35 1 753 70 LYS HB3 H 1.88 0.02 1 754 70 LYS HB2 H 1.88 0.02 1 755 70 LYS CG C 24.80 0.35 1 756 70 LYS HG3 H 1.34 0.02 2 757 70 LYS HG2 H 1.42 0.02 2 758 70 LYS CD C 28.90 0.35 1 759 70 LYS HD3 H 1.63 0.02 1 760 70 LYS HD2 H 1.63 0.02 1 761 70 LYS CE C 42.20 0.35 1 762 70 LYS HE3 H 2.96 0.02 1 763 70 LYS HE2 H 2.96 0.02 1 764 70 LYS C C 176.20 0.35 1 765 71 LYS N N 121.07 0.10 1 766 71 LYS H H 7.80 0.02 1 767 71 LYS CA C 56.52 0.35 1 768 71 LYS HA H 4.36 0.02 1 769 71 LYS CB C 32.95 0.35 1 770 71 LYS HB3 H 1.74 0.02 1 771 71 LYS HB2 H 1.74 0.02 1 772 71 LYS CG C 24.88 0.35 1 773 71 LYS HG3 H 1.38 0.02 1 774 71 LYS HG2 H 1.38 0.02 1 775 71 LYS CD C 29.39 0.35 1 776 71 LYS HD3 H 1.62 0.02 1 777 71 LYS HD2 H 1.62 0.02 1 778 71 LYS CE C 43.35 0.35 1 779 71 LYS HE3 H 2.91 0.02 1 780 71 LYS HE2 H 2.91 0.02 1 781 71 LYS C C 176.21 0.35 1 782 72 ARG N N 122.08 0.10 1 783 72 ARG H H 8.42 0.02 1 784 72 ARG CA C 54.75 0.35 1 785 72 ARG HA H 4.55 0.02 1 786 72 ARG CB C 32.40 0.35 1 787 72 ARG HB3 H 1.70 0.02 2 788 72 ARG HB2 H 1.83 0.02 2 789 72 ARG CG C 24.64 0.35 1 790 72 ARG HG3 H 1.39 0.02 2 791 72 ARG HG2 H 1.57 0.02 2 792 72 ARG CD C 43.36 0.35 1 793 72 ARG HD3 H 3.16 0.02 1 794 72 ARG HD2 H 3.16 0.02 1 795 72 ARG C C 175.33 0.35 1 796 73 LYS N N 121.09 0.10 1 797 73 LYS H H 8.40 0.02 1 798 73 LYS CA C 55.35 0.35 1 799 73 LYS HA H 4.80 0.02 1 800 73 LYS CB C 34.53 0.35 1 801 73 LYS HB3 H 1.68 0.02 1 802 73 LYS HB2 H 1.68 0.02 1 803 73 LYS CG C 25.18 0.35 1 804 73 LYS HG3 H 1.26 0.02 2 805 73 LYS HG2 H 1.38 0.02 2 806 73 LYS CD C 29.23 0.35 1 807 73 LYS HD3 H 1.57 0.02 1 808 73 LYS HD2 H 1.57 0.02 1 809 73 LYS CE C 42.08 0.35 1 810 73 LYS HE3 H 2.94 0.02 1 811 73 LYS HE2 H 2.94 0.02 1 812 73 LYS C C 177.16 0.35 1 813 74 ASP N N 121.73 0.10 1 814 74 ASP H H 8.56 0.02 1 815 74 ASP CA C 52.91 0.35 1 816 74 ASP HA H 4.61 0.02 1 817 74 ASP CB C 40.99 0.35 1 818 74 ASP HB3 H 2.60 0.02 2 819 74 ASP HB2 H 3.10 0.02 2 820 74 ASP C C 177.54 0.35 1 821 75 ASN N N 116.15 0.10 1 822 75 ASN H H 8.41 0.02 1 823 75 ASN CA C 54.86 0.35 1 824 75 ASN HA H 4.50 0.02 1 825 75 ASN CB C 38.15 0.35 1 826 75 ASN HB3 H 2.82 0.02 1 827 75 ASN HB2 H 2.82 0.02 1 828 75 ASN CG C 176.90 0.35 1 829 75 ASN ND2 N 113.12 0.10 1 830 75 ASN HD21 H 7.63 0.02 2 831 75 ASN HD22 H 6.94 0.02 2 832 75 ASN C C 176.06 0.35 1 833 76 GLU N N 118.86 0.10 1 834 76 GLU H H 8.14 0.02 1 835 76 GLU CA C 56.32 0.35 1 836 76 GLU HA H 4.33 0.02 1 837 76 GLU CB C 30.20 0.35 1 838 76 GLU HB3 H 1.92 0.02 2 839 76 GLU HB2 H 2.19 0.02 2 840 76 GLU CG C 36.80 0.35 1 841 76 GLU HG3 H 2.19 0.02 1 842 76 GLU HG2 H 2.19 0.02 1 843 76 GLU C C 176.61 0.35 1 844 77 GLY N N 107.92 0.10 1 845 77 GLY H H 8.10 0.02 1 846 77 GLY CA C 45.32 0.35 1 847 77 GLY HA3 H 3.64 0.02 2 848 77 GLY HA2 H 4.16 0.02 2 849 77 GLY C C 174.30 0.35 1 850 78 ASN N N 119.62 0.10 1 851 78 ASN H H 8.53 0.02 1 852 78 ASN CA C 52.90 0.35 1 853 78 ASN HA H 4.70 0.02 1 854 78 ASN CB C 39.04 0.35 1 855 78 ASN HB3 H 2.64 0.02 2 856 78 ASN HB2 H 2.81 0.02 2 857 78 ASN ND2 N 117.08 0.10 1 858 78 ASN HD21 H 8.21 0.02 2 859 78 ASN HD22 H 7.05 0.02 2 860 78 ASN C C 175.21 0.35 1 861 79 GLU N N 121.38 0.10 1 862 79 GLU H H 8.69 0.02 1 863 79 GLU CA C 56.71 0.35 1 864 79 GLU CB C 30.57 0.35 1 865 82 PRO C C 176.95 0.35 1 866 83 LYS N N 121.90 0.10 1 867 83 LYS H H 8.30 0.02 1 868 84 PRO CA C 62.79 0.35 1 869 84 PRO HA H 4.27 0.02 1 870 84 PRO CB C 32.34 0.35 1 871 84 PRO HB3 H 1.77 0.02 2 872 84 PRO HB2 H 2.23 0.02 2 873 84 PRO CG C 27.36 0.35 1 874 84 PRO HG3 H 1.88 0.02 1 875 84 PRO HG2 H 1.88 0.02 1 876 84 PRO CD C 50.49 0.35 1 877 84 PRO HD3 H 3.60 0.02 2 878 84 PRO HD2 H 3.75 0.02 2 879 84 PRO C C 177.01 0.35 1 880 85 GLN N N 121.27 0.10 1 881 85 GLN H H 8.50 0.02 1 882 85 GLN CA C 56.13 0.35 1 883 85 GLN HA H 4.14 0.02 1 884 85 GLN CB C 29.80 0.35 1 885 85 GLN HB3 H 1.85 0.02 2 886 85 GLN HB2 H 1.89 0.02 2 887 85 GLN CG C 34.02 0.35 1 888 85 GLN HG3 H 2.26 0.02 2 889 85 GLN HG2 H 2.31 0.02 2 890 85 GLN CD C 180.10 0.35 1 891 85 GLN NE2 N 112.76 0.10 1 892 85 GLN HE21 H 7.60 0.02 2 893 85 GLN HE22 H 7.03 0.02 2 894 85 GLN C C 175.13 0.35 1 895 86 ARG N N 120.98 0.10 1 896 86 ARG H H 8.24 0.02 1 897 86 ARG CA C 54.79 0.35 1 898 86 ARG HA H 5.10 0.02 1 899 86 ARG CB C 33.31 0.35 1 900 86 ARG HB3 H 1.53 0.02 2 901 86 ARG HB2 H 1.63 0.02 2 902 86 ARG CG C 27.50 0.35 1 903 86 ARG HG3 H 1.45 0.02 2 904 86 ARG HG2 H 1.57 0.02 2 905 86 ARG CD C 43.71 0.35 1 906 86 ARG HD3 H 3.05 0.02 1 907 86 ARG HD2 H 3.05 0.02 1 908 86 ARG C C 175.05 0.35 1 909 87 HIS N N 121.38 0.10 1 910 87 HIS H H 8.69 0.02 1 911 87 HIS CA C 54.37 0.35 1 912 87 HIS HA H 4.71 0.02 1 913 87 HIS CB C 33.27 0.35 1 914 87 HIS HB3 H 2.74 0.02 2 915 87 HIS HB2 H 3.18 0.02 2 916 87 HIS CD2 C 118.40 0.35 1 917 87 HIS HD2 H 6.70 0.02 1 918 87 HIS CE1 C 139.20 0.35 1 919 87 HIS HE1 H 8.01 0.02 1 920 87 HIS C C 174.21 0.35 1 921 88 MET N N 125.06 0.10 1 922 88 MET H H 8.53 0.02 1 923 88 MET CA C 54.96 0.35 1 924 88 MET HA H 5.25 0.02 1 925 88 MET CB C 34.89 0.35 1 926 88 MET HB3 H 1.76 0.02 2 927 88 MET HB2 H 1.88 0.02 2 928 88 MET CG C 32.44 0.35 1 929 88 MET HG3 H 2.25 0.02 2 930 88 MET HG2 H 2.34 0.02 2 931 88 MET CE C 17.26 0.35 1 932 88 MET HE H 1.92 0.02 1 933 88 MET C C 173.71 0.35 1 934 89 PHE N N 121.82 0.10 1 935 89 PHE H H 8.93 0.02 1 936 89 PHE CA C 56.45 0.35 1 937 89 PHE HA H 5.11 0.02 1 938 89 PHE CB C 43.77 0.35 1 939 89 PHE HB3 H 2.58 0.02 1 940 89 PHE HB2 H 2.58 0.02 1 941 89 PHE CD1 C 131.30 0.35 1 942 89 PHE HD1 H 6.82 0.02 1 943 89 PHE HE1 H 6.64 0.02 1 944 89 PHE HZ H 6.58 0.02 1 945 89 PHE HE2 H 6.64 0.02 1 946 89 PHE CD2 C 131.30 0.35 1 947 89 PHE HD2 H 6.82 0.02 1 948 89 PHE C C 174.55 0.35 1 949 90 SER N N 116.68 0.10 1 950 90 SER H H 8.74 0.02 1 951 90 SER CA C 57.11 0.35 1 952 90 SER HA H 5.64 0.02 1 953 90 SER CB C 64.91 0.35 1 954 90 SER HB3 H 3.67 0.02 2 955 90 SER HB2 H 3.81 0.02 2 956 90 SER C C 173.14 0.35 1 957 91 PHE N N 119.76 0.10 1 958 91 PHE H H 8.74 0.02 1 959 91 PHE CA C 57.31 0.35 1 960 91 PHE HA H 4.88 0.02 1 961 91 PHE CB C 43.62 0.35 1 962 91 PHE HB3 H 2.76 0.02 2 963 91 PHE HB2 H 3.27 0.02 2 964 91 PHE CD1 C 132.50 0.35 1 965 91 PHE HD1 H 7.43 0.02 1 966 91 PHE HE1 H 7.07 0.02 1 967 91 PHE HZ H 6.76 0.02 1 968 91 PHE HE2 H 7.07 0.02 1 969 91 PHE CD2 C 132.50 0.35 1 970 91 PHE HD2 H 7.43 0.02 1 971 91 PHE C C 174.55 0.35 1 972 92 ASN N N 115.75 0.10 1 973 92 ASN H H 9.10 0.02 1 974 92 ASN CA C 52.36 0.35 1 975 92 ASN HA H 5.07 0.02 1 976 92 ASN CB C 39.92 0.35 1 977 92 ASN HB3 H 2.85 0.02 2 978 92 ASN HB2 H 2.88 0.02 2 979 92 ASN CG C 176.80 0.35 1 980 92 ASN ND2 N 111.40 0.10 1 981 92 ASN HD21 H 7.59 0.02 2 982 92 ASN HD22 H 6.79 0.02 2 983 92 ASN C C 174.88 0.35 1 984 93 ASN N N 118.27 0.10 1 985 93 ASN H H 7.25 0.02 1 986 93 ASN CA C 53.05 0.35 1 987 93 ASN HA H 4.87 0.02 1 988 93 ASN CB C 41.75 0.35 1 989 93 ASN HB3 H 2.82 0.02 2 990 93 ASN HB2 H 2.86 0.02 2 991 93 ASN CG C 176.30 0.35 1 992 93 ASN ND2 N 114.01 0.10 1 993 93 ASN HD21 H 7.88 0.02 2 994 93 ASN HD22 H 7.19 0.02 2 995 93 ASN C C 174.60 0.35 1 996 94 ARG N N 128.88 0.10 1 997 94 ARG H H 9.30 0.02 1 998 94 ARG CA C 59.28 0.35 1 999 94 ARG HA H 3.84 0.02 1 1000 94 ARG CB C 30.04 0.35 1 1001 94 ARG HB3 H 1.80 0.02 2 1002 94 ARG HB2 H 1.96 0.02 2 1003 94 ARG CG C 26.49 0.35 1 1004 94 ARG HG3 H 1.62 0.02 2 1005 94 ARG HG2 H 1.76 0.02 2 1006 94 ARG CD C 42.65 0.35 1 1007 94 ARG HD3 H 3.09 0.02 2 1008 94 ARG HD2 H 3.34 0.02 2 1009 94 ARG NE N 110.01 0.10 1 1010 94 ARG HE H 7.45 0.02 1 1011 94 ARG C C 176.86 0.35 1 1012 95 THR N N 115.50 0.10 1 1013 95 THR H H 7.97 0.02 1 1014 95 THR CA C 66.48 0.35 1 1015 95 THR HA H 3.96 0.02 1 1016 95 THR CB C 68.44 0.35 1 1017 95 THR HB H 4.30 0.02 1 1018 95 THR CG2 C 21.98 0.35 1 1019 95 THR HG2 H 1.24 0.02 1 1020 95 THR C C 176.69 0.35 1 1021 96 VAL N N 121.54 0.10 1 1022 96 VAL H H 7.55 0.02 1 1023 96 VAL CA C 65.97 0.35 1 1024 96 VAL HA H 3.76 0.02 1 1025 96 VAL CB C 32.19 0.35 1 1026 96 VAL HB H 2.32 0.02 1 1027 96 VAL CG2 C 22.09 0.35 1 1028 96 VAL HG2 H 1.19 0.02 1 1029 96 VAL CG1 C 21.36 0.35 1 1030 96 VAL HG1 H 1.26 0.02 1 1031 96 VAL C C 177.63 0.35 1 1032 97 MET N N 117.29 0.10 1 1033 97 MET H H 7.29 0.02 1 1034 97 MET CA C 59.67 0.35 1 1035 97 MET HA H 2.32 0.02 1 1036 97 MET CB C 32.38 0.35 1 1037 97 MET HB3 H 1.07 0.02 2 1038 97 MET HB2 H 1.92 0.02 2 1039 97 MET CG C 32.48 0.35 1 1040 97 MET HG3 H 1.51 0.02 2 1041 97 MET HG2 H 1.90 0.02 2 1042 97 MET CE C 17.70 0.35 5 1043 97 MET HE H 2.04 0.02 5 1044 97 MET C C 177.25 0.35 1 1045 98 ASP N N 117.88 0.10 1 1046 98 ASP H H 8.65 0.02 1 1047 98 ASP CA C 57.55 0.35 1 1048 98 ASP HA H 4.22 0.02 1 1049 98 ASP CB C 39.76 0.35 1 1050 98 ASP HB3 H 2.51 0.02 2 1051 98 ASP HB2 H 2.68 0.02 2 1052 98 ASP C C 179.07 0.35 1 1053 99 ASN N N 120.07 0.10 1 1054 99 ASN H H 8.09 0.02 1 1055 99 ASN CA C 56.07 0.35 1 1056 99 ASN HA H 4.41 0.02 1 1057 99 ASN CB C 38.33 0.35 1 1058 99 ASN HB3 H 2.72 0.02 2 1059 99 ASN HB2 H 2.99 0.02 2 1060 99 ASN CG C 176.20 0.35 1 1061 99 ASN ND2 N 111.50 0.10 1 1062 99 ASN HD21 H 7.40 0.02 2 1063 99 ASN HD22 H 6.93 0.02 2 1064 99 ASN C C 178.13 0.35 1 1065 100 ILE N N 120.79 0.10 1 1066 100 ILE H H 8.02 0.02 1 1067 100 ILE CA C 62.73 0.35 1 1068 100 ILE HA H 3.62 0.02 1 1069 100 ILE CB C 35.72 0.35 1 1070 100 ILE HB H 1.85 0.02 1 1071 100 ILE CG1 C 28.45 0.35 1 1072 100 ILE HG13 H 1.28 0.02 2 1073 100 ILE HG12 H 1.53 0.02 2 1074 100 ILE CD1 C 9.75 0.35 1 1075 100 ILE HD1 H 0.48 0.02 1 1076 100 ILE CG2 C 17.22 0.35 1 1077 100 ILE HG2 H 0.66 0.02 1 1078 100 ILE C C 177.64 0.35 1 1079 101 LYS N N 120.50 0.10 1 1080 101 LYS H H 8.86 0.02 1 1081 101 LYS CA C 60.43 0.35 1 1082 101 LYS HA H 3.59 0.02 1 1083 101 LYS CB C 32.61 0.35 1 1084 101 LYS HB3 H 1.78 0.02 2 1085 101 LYS HB2 H 2.00 0.02 2 1086 101 LYS CG C 24.37 0.35 1 1087 101 LYS HG3 H 1.27 0.02 2 1088 101 LYS HG2 H 1.31 0.02 2 1089 101 LYS CD C 29.39 0.35 1 1090 101 LYS HD3 H 1.49 0.02 2 1091 101 LYS HD2 H 1.61 0.02 2 1092 101 LYS CE C 41.48 0.35 1 1093 101 LYS HE3 H 2.83 0.02 1 1094 101 LYS HE2 H 2.83 0.02 1 1095 101 LYS C C 177.64 0.35 1 1096 102 MET N N 116.77 0.10 1 1097 102 MET H H 8.01 0.02 1 1098 102 MET CA C 58.69 0.35 1 1099 102 MET HA H 4.13 0.02 1 1100 102 MET CB C 32.08 0.35 1 1101 102 MET HB3 H 2.13 0.02 2 1102 102 MET HB2 H 2.21 0.02 2 1103 102 MET CG C 31.88 0.35 1 1104 102 MET HG3 H 2.60 0.02 2 1105 102 MET HG2 H 2.66 0.02 2 1106 102 MET CE C 16.75 0.35 1 1107 102 MET HE H 2.06 0.02 1 1108 102 MET C C 179.09 0.35 1 1109 103 THR N N 117.91 0.10 1 1110 103 THR H H 7.68 0.02 1 1111 103 THR CA C 66.24 0.35 1 1112 103 THR HA H 3.81 0.02 1 1113 103 THR CB C 68.12 0.35 1 1114 103 THR HB H 3.95 0.02 1 1115 103 THR CG2 C 22.23 0.35 1 1116 103 THR HG2 H 0.70 0.02 1 1117 103 THR C C 176.64 0.35 1 1118 104 LEU N N 119.06 0.10 1 1119 104 LEU H H 8.53 0.02 1 1120 104 LEU CA C 58.02 0.35 1 1121 104 LEU HA H 3.83 0.02 1 1122 104 LEU CB C 42.83 0.35 1 1123 104 LEU HB3 H 1.11 0.02 2 1124 104 LEU HB2 H 2.05 0.02 2 1125 104 LEU CG C 26.78 0.35 1 1126 104 LEU HG H 1.85 0.02 1 1127 104 LEU CD1 C 26.78 0.35 2 1128 104 LEU HD1 H 0.68 0.02 2 1129 104 LEU CD2 C 24.70 0.35 2 1130 104 LEU HD2 H 0.75 0.02 2 1131 104 LEU C C 178.47 0.35 1 1132 105 GLN N N 117.92 0.10 1 1133 105 GLN H H 8.75 0.02 1 1134 105 GLN CA C 59.15 0.35 1 1135 105 GLN HA H 3.89 0.02 1 1136 105 GLN CB C 28.47 0.35 1 1137 105 GLN HB3 H 2.08 0.02 2 1138 105 GLN HB2 H 2.24 0.02 2 1139 105 GLN CG C 34.22 0.35 1 1140 105 GLN HG3 H 2.37 0.02 2 1141 105 GLN HG2 H 2.44 0.02 2 1142 105 GLN CD C 179.70 0.35 1 1143 105 GLN NE2 N 111.90 0.10 1 1144 105 GLN HE21 H 7.39 0.02 2 1145 105 GLN HE22 H 6.85 0.02 2 1146 105 GLN C C 178.81 0.35 1 1147 106 GLN N N 117.91 0.10 1 1148 106 GLN H H 7.55 0.02 1 1149 106 GLN CA C 58.73 0.35 1 1150 106 GLN HA H 4.04 0.02 1 1151 106 GLN CB C 28.41 0.35 1 1152 106 GLN HB3 H 2.16 0.02 2 1153 106 GLN HB2 H 2.29 0.02 2 1154 106 GLN CG C 33.99 0.35 1 1155 106 GLN HG3 H 2.38 0.02 2 1156 106 GLN HG2 H 2.55 0.02 2 1157 106 GLN CD C 180.00 0.35 1 1158 106 GLN NE2 N 111.30 0.10 1 1159 106 GLN HE21 H 7.36 0.02 2 1160 106 GLN HE22 H 6.83 0.02 2 1161 106 GLN C C 178.72 0.35 1 1162 107 ILE N N 120.10 0.10 1 1163 107 ILE H H 7.75 0.02 1 1164 107 ILE CA C 65.57 0.35 1 1165 107 ILE HA H 3.44 0.02 1 1166 107 ILE CB C 39.03 0.35 1 1167 107 ILE HB H 1.68 0.02 1 1168 107 ILE CG1 C 28.68 0.35 1 1169 107 ILE HG13 H 0.85 0.02 2 1170 107 ILE HG12 H 1.89 0.02 2 1171 107 ILE CD1 C 15.82 0.35 1 1172 107 ILE HD1 H 0.59 0.02 1 1173 107 ILE CG2 C 18.96 0.35 1 1174 107 ILE HG2 H 0.81 0.02 1 1175 107 ILE C C 177.75 0.35 1 1176 108 ILE N N 116.87 0.10 1 1177 108 ILE H H 8.73 0.02 1 1178 108 ILE CA C 65.60 0.35 1 1179 108 ILE HA H 3.81 0.02 1 1180 108 ILE CB C 38.22 0.35 1 1181 108 ILE HB H 1.87 0.02 1 1182 108 ILE CG1 C 28.90 0.35 1 1183 108 ILE HG13 H 1.25 0.02 2 1184 108 ILE HG12 H 1.65 0.02 2 1185 108 ILE CD1 C 15.20 0.35 1 1186 108 ILE HD1 H 0.70 0.02 1 1187 108 ILE CG2 C 17.17 0.35 1 1188 108 ILE HG2 H 0.90 0.02 1 1189 108 ILE C C 179.38 0.35 1 1190 109 SER N N 114.44 0.10 1 1191 109 SER H H 7.84 0.02 1 1192 109 SER CA C 61.64 0.35 1 1193 109 SER HA H 4.19 0.02 1 1194 109 SER CB C 62.84 0.35 1 1195 109 SER HB3 H 3.99 0.02 1 1196 109 SER HB2 H 3.99 0.02 1 1197 109 SER C C 176.03 0.35 1 1198 110 ARG N N 120.90 0.10 1 1199 110 ARG H H 7.54 0.02 1 1200 110 ARG CA C 58.49 0.35 1 1201 110 ARG HA H 4.08 0.02 1 1202 110 ARG CB C 29.79 0.35 1 1203 110 ARG HB3 H 1.61 0.02 1 1204 110 ARG HB2 H 1.61 0.02 1 1205 110 ARG CG C 26.90 0.35 1 1206 110 ARG HG3 H 1.48 0.02 2 1207 110 ARG HG2 H 1.64 0.02 2 1208 110 ARG CD C 43.91 0.35 1 1209 110 ARG HD3 H 2.96 0.02 2 1210 110 ARG HD2 H 3.12 0.02 2 1211 110 ARG NE N 111.09 0.10 1 1212 110 ARG HE H 7.04 0.02 1 1213 110 ARG C C 178.51 0.35 1 1214 111 TYR N N 116.91 0.10 1 1215 111 TYR H H 7.41 0.02 1 1216 111 TYR CA C 57.61 0.35 1 1217 111 TYR HA H 4.75 0.02 1 1218 111 TYR CB C 37.51 0.35 1 1219 111 TYR HB3 H 3.02 0.02 2 1220 111 TYR HB2 H 3.37 0.02 2 1221 111 TYR CD1 C 132.50 0.35 1 1222 111 TYR HD1 H 7.08 0.02 1 1223 111 TYR CE1 C 117.80 0.35 1 1224 111 TYR HE1 H 6.70 0.02 1 1225 111 TYR CE2 C 117.80 0.35 1 1226 111 TYR HE2 H 6.70 0.02 1 1227 111 TYR CD2 C 132.50 0.35 1 1228 111 TYR HD2 H 7.08 0.02 1 1229 111 TYR C C 176.97 0.35 1 1230 112 LYS N N 120.78 0.10 1 1231 112 LYS H H 7.72 0.02 1 1232 112 LYS CA C 57.35 0.35 1 1233 112 LYS HA H 4.34 0.02 1 1234 112 LYS CB C 32.86 0.35 1 1235 112 LYS HB3 H 1.91 0.02 1 1236 112 LYS HB2 H 1.91 0.02 1 1237 112 LYS CG C 24.58 0.35 1 1238 112 LYS HG3 H 1.56 0.02 2 1239 112 LYS HG2 H 1.61 0.02 2 1240 112 LYS CD C 29.03 0.35 1 1241 112 LYS HD3 H 1.78 0.02 1 1242 112 LYS HD2 H 1.78 0.02 1 1243 112 LYS CE C 42.07 0.35 1 1244 112 LYS HE3 H 3.07 0.02 1 1245 112 LYS HE2 H 3.07 0.02 1 1246 112 LYS C C 177.36 0.35 1 1247 113 ASP N N 120.65 0.10 1 1248 113 ASP H H 8.32 0.02 1 1249 113 ASP CA C 54.89 0.35 1 1250 113 ASP HA H 4.59 0.02 1 1251 113 ASP CB C 41.00 0.35 1 1252 113 ASP HB3 H 2.69 0.02 2 1253 113 ASP HB2 H 2.73 0.02 2 1254 113 ASP C C 176.80 0.35 1 1255 114 ALA N N 123.42 0.10 1 1256 114 ALA H H 8.04 0.02 1 1257 114 ALA CA C 53.00 0.35 1 1258 114 ALA HA H 4.30 0.02 1 1259 114 ALA CB C 19.12 0.35 1 1260 114 ALA HB H 1.44 0.02 1 1261 114 ALA C C 178.10 0.35 1 1262 115 ASP N N 119.04 0.10 1 1263 115 ASP H H 8.21 0.02 1 1264 115 ASP CA C 54.62 0.35 1 1265 115 ASP HA H 4.60 0.02 1 1266 115 ASP CB C 41.27 0.35 1 1267 115 ASP HB3 H 2.72 0.02 1 1268 115 ASP HB2 H 2.72 0.02 1 1269 115 ASP C C 177.16 0.35 1 1270 116 GLY N N 108.74 0.10 1 1271 116 GLY H H 8.24 0.02 1 1272 116 GLY CA C 45.50 0.35 1 1273 116 GLY HA3 H 3.95 0.02 1 1274 116 GLY HA2 H 3.95 0.02 1 1275 116 GLY C C 174.46 0.35 1 1276 117 ASN N N 118.61 0.10 1 1277 117 ASN H H 8.32 0.02 1 1278 117 ASN CA C 53.49 0.35 1 1279 117 ASN HA H 4.80 0.02 1 1280 117 ASN CB C 39.21 0.35 1 1281 117 ASN HB3 H 2.77 0.02 2 1282 117 ASN HB2 H 2.84 0.02 2 1283 117 ASN CG C 177.10 0.35 1 1284 117 ASN ND2 N 113.51 0.10 1 1285 117 ASN HD21 H 7.64 0.02 2 1286 117 ASN HD22 H 6.93 0.02 2 1287 117 ASN C C 175.45 0.35 1 1288 118 SER N N 116.44 0.10 1 1289 118 SER H H 8.32 0.02 1 1290 118 SER CA C 58.40 0.35 1 1291 118 SER HA H 4.52 0.02 1 1292 118 SER CB C 63.96 0.35 1 1293 118 SER HB3 H 3.87 0.02 1 1294 118 SER HB2 H 3.90 0.02 1 1295 118 SER C C 173.89 0.35 1 1296 119 SER N N 123.09 0.10 1 1297 119 SER H H 8.01 0.02 1 1298 119 SER CA C 60.00 0.35 1 1299 119 SER HA H 4.27 0.02 1 1300 119 SER CB C 64.74 0.35 1 1301 119 SER HB3 H 3.82 0.02 1 1302 119 SER HB2 H 3.82 0.02 1 stop_ save_