data_6840 #Corrected using PDB structure: 2D3JA # #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 # 12 L HA 4.59 3.89 # 22 R HA 3.60 4.44 # 71 G HA 4.14 3.24 #117 L HA 4.54 3.77 #148 I HA 3.98 4.99 #150 F HA 5.75 4.93 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #116 C CB 38.33 45.54 #127 E CB 40.53 32.13 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 37 G N 135.64 106.15 #146 N N 116.64 129.60 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 36 E H 5.73 8.29 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.01 0.26 0.53 0.29 -0.16 0.00 # #bmr6840.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6840.str file): #HA CA CB CO N HN #N/A +0.40 +0.40 +0.29 -0.16 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.14 +/-0.20 +/-0.13 +/-0.35 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.732 0.956 0.986 0.725 0.689 0.591 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.177 0.848 1.161 0.789 2.137 0.334 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N 13C and 1H chemical shift assignments for the WIF domain of human WIF-1 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liepinsh Edvards . . 2 Otting Gottfried . . stop_ _BMRB_accession_number 6840 _BMRB_flat_file_name bmr6840.str _Entry_type new _Submission_date 2005-09-29 _Accession_date 2005-09-29 _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" 911 "13C chemical shifts" 430 "15N chemical shifts" 167 stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_title ; NMR Structure of the WIF Domain of the Human Wnt-Inhibitory Factor-1. ; _Citation_status published _Citation_type journal _PubMed_ID 16476441 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liepinsh Edvards . . 2 Banyai Laszlo . . 3 Patthy Laszlo . . 4 Otting Gottfried . . stop_ _Journal_abbreviation "J. Mol. Biol." _Journal_volume 357 _Journal_issue 3 _Page_first 942 _Page_last 950 _Year 2006 loop_ _Keyword NMR "palmitoyl group" stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Abbreviation_common monomer loop_ _Mol_system_component_name _Mol_label "WIF domain" $WIF_domain stop_ _System_molecular_weight 17495 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state "all disulfide bound" loop_ _Biological_function "palmitoyl group recognition" stop_ save_ ######################## # Monomeric polymers # ######################## save_WIF_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "WIF domain" _Name_variant "WIF domain" _Abbreviation_common "WIF domain" _Molecular_mass 17495 _Mol_thiol_state "all disulfide bound" loop_ _Biological_function "palmitoyl group recognition" stop_ _Details ; The first seven residues of the construct are from the expression vector used and therefore cloning artifacts. ; ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; GSHMLDQQEESLYLWIDAHQ ARVLIGFEEDILIVSEGKMA PFTHDFRKAQQRMPAIPVNI HSMNFTWQAAGQAEYFYEFL SLRSLDKGIMADPTVNVPLL GTVPHKASVVQVGFPCLGKQ DGVAAFEVDVIVMNSEGNTI LQTPQNAIFFKTCLQAE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 25 GLY 2 26 SER 3 27 HIS 4 28 MET 5 29 LEU 6 30 ASP 7 31 GLN 8 32 GLN 9 33 GLU 10 34 GLU 11 35 SER 12 36 LEU 13 37 TYR 14 38 LEU 15 39 TRP 16 40 ILE 17 41 ASP 18 42 ALA 19 43 HIS 20 44 GLN 21 45 ALA 22 46 ARG 23 47 VAL 24 48 LEU 25 49 ILE 26 50 GLY 27 51 PHE 28 52 GLU 29 53 GLU 30 54 ASP 31 55 ILE 32 56 LEU 33 57 ILE 34 58 VAL 35 59 SER 36 60 GLU 37 61 GLY 38 62 LYS 39 63 MET 40 64 ALA 41 65 PRO 42 66 PHE 43 67 THR 44 68 HIS 45 69 ASP 46 70 PHE 47 71 ARG 48 72 LYS 49 73 ALA 50 74 GLN 51 75 GLN 52 76 ARG 53 77 MET 54 78 PRO 55 79 ALA 56 80 ILE 57 81 PRO 58 82 VAL 59 83 ASN 60 84 ILE 61 85 HIS 62 86 SER 63 87 MET 64 88 ASN 65 89 PHE 66 90 THR 67 91 TRP 68 92 GLN 69 93 ALA 70 94 ALA 71 95 GLY 72 96 GLN 73 97 ALA 74 98 GLU 75 99 TYR 76 100 PHE 77 101 TYR 78 102 GLU 79 103 PHE 80 104 LEU 81 105 SER 82 106 LEU 83 107 ARG 84 108 SER 85 109 LEU 86 110 ASP 87 111 LYS 88 112 GLY 89 113 ILE 90 114 MET 91 115 ALA 92 116 ASP 93 117 PRO 94 118 THR 95 119 VAL 96 120 ASN 97 121 VAL 98 122 PRO 99 123 LEU 100 124 LEU 101 125 GLY 102 126 THR 103 127 VAL 104 128 PRO 105 129 HIS 106 130 LYS 107 131 ALA 108 132 SER 109 133 VAL 110 134 VAL 111 135 GLN 112 136 VAL 113 137 GLY 114 138 PHE 115 139 PRO 116 140 CYS 117 141 LEU 118 142 GLY 119 143 LYS 120 144 GLN 121 145 ASP 122 146 GLY 123 147 VAL 124 148 ALA 125 149 ALA 126 150 PHE 127 151 GLU 128 152 VAL 129 153 ASP 130 154 VAL 131 155 ILE 132 156 VAL 133 157 MET 134 158 ASN 135 159 SER 136 160 GLU 137 161 GLY 138 162 ASN 139 163 THR 140 164 ILE 141 165 LEU 142 166 GLN 143 167 THR 144 168 PRO 145 169 GLN 146 170 ASN 147 171 ALA 148 172 ILE 149 173 PHE 150 174 PHE 151 175 LYS 152 176 THR 153 177 CYS 154 178 LEU 155 179 GLN 156 180 ALA 157 181 GLU stop_ _Sequence_homology_query_date 2006-06-22 _Sequence_homology_query_revised_last_date 2006-06-19 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 2D3J "A Chain A, Nmr Structure Of The Wif DomainFrom Human Wif-1" 100.00 157 100 100 2e-86 DBJ BAE25067.1 "unnamed protein product [Mus musculus]" 41.42 379 98 99 10e-80 DBJ BAE34471.1 "unnamed protein product [Mus musculus]" 41.42 379 98 99 10e-80 GenBank AAD25402.1 "Wnt inhibitory factor-1 [Homo sapiens]" 41.42 379 100 100 5e-82 GenBank AAQ88710.1 "WIF-1 [Homo sapiens]" 41.42 379 99 99 2e-81 GenBank AAH18037.1 "WIF1 protein [Homo sapiens]" 41.42 379 99 99 7e-81 GenBank AAD25403.1 "Wnt inhibitory factor-1 [Mus musculus]" 41.42 379 98 99 10e-80 GenBank AAH13268.1 "Wnt inhibitory factor 1 [Mus musculus]" 41.42 379 98 99 10e-80 REF XP_613151.2 "PREDICTED: similar to Wnt inhibitoryfactor 1 precursor (WIF-1), partial [Bos taurus]" 55.48 283 98 99 5e-41 REF XP_522456.1 "PREDICTED: similar to WIF-1 [Pantroglodytes]" 48.01 327 98 99 5e-41 REF NP_009122.1 "Wnt inhibitory factor-1 precursor [Homosapiens]" 41.42 379 100 100 5e-82 REF NP_036045.1 "Wnt inhibitory factor 1 [Mus musculus]" 41.42 379 98 99 10e-80 SWISS-PROT Q9Y5W5 "WIF1_HUMAN Wnt inhibitory factor 1 precursor(WIF-1)" 41.42 379 99 99 2e-81 SWISS-PROT Q9WUA1 "WIF1_MOUSE Wnt inhibitory factor 1 precursor(WIF-1)" 41.42 379 98 99 10e-80 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide "WIF domain" 116 CYS SG "WIF domain" 153 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $WIF_domain Human 9606 Eukaryota Metazoa Homo sapiens 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 $WIF_domain "recombinant technology" "E. coli" ? ? ? ? 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $WIF_domain 0.4 mM 0.3 0.5 [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $WIF_domain 0.7 mM 0.6 0.8 "[U-15N; U-13C]" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHz_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H15N HSQC 2D NOESY HNCA CBCA(CO)NH HNCO 3D NOESY-15N-HSQC ; save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_2D_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 2D_NOESY _Sample_label $sample_1 save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_2 save_ save_3D_NOESY-15N-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 3D_NOESY-15N-HSQC _Sample_label $sample_1 save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_2 save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 pH temperature 301 0.2 K pressure 1 0.1 bar stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details ; The water chemical shift was calibrated relative to DSS, taking into account the temperature, pH and ionic strength dependence of water as reported by Wishart et al. J. Biomol. NMR 6, 135 (1995). ; 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 H2O H 1 protons ppm ? internal direct ? ? ? 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect ? ? ? 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label $1H15N_HSQC $2D_NOESY $HNCA $CBCA(CO)NH $HNCO $3D_NOESY-15N-HSQC stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name "WIF 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 GLY HA2 H 3.68 0.02 2 2 1 GLY HA3 H 4.01 0.02 2 3 1 GLY C C 170.39 0.2 1 4 1 GLY CA C 43.60 0.2 1 5 2 SER H H 8.59 0.02 1 6 2 SER HA H 4.42 0.02 1 7 2 SER HB2 H 3.75 0.02 2 8 2 SER HB3 H 3.79 0.02 2 9 2 SER C C 174.49 0.2 1 10 2 SER CA C 58.70 0.2 1 11 2 SER CB C 64.20 0.2 1 12 2 SER N N 115.34 0.2 1 13 3 HIS H H 8.61 0.02 1 14 3 HIS HA H 4.09 0.02 1 15 3 HIS HB2 H 2.79 0.02 2 16 3 HIS HB3 H 3.07 0.02 2 17 3 HIS C C 176.29 0.2 1 18 3 HIS CA C 55.90 0.2 1 19 3 HIS CB C 29.40 0.2 1 20 3 HIS N N 120.34 0.2 1 21 4 MET H H 8.28 0.02 1 22 4 MET HA H 4.32 0.02 1 23 4 MET HB2 H 1.89 0.02 2 24 4 MET HB3 H 1.96 0.02 2 25 4 MET HG2 H 2.06 0.02 2 26 4 MET HG3 H 2.24 0.02 2 27 4 MET C C 176.09 0.2 1 28 4 MET CA C 55.60 0.2 1 29 4 MET CB C 33.10 0.2 1 30 4 MET N N 122.04 0.2 1 31 5 LEU H H 8.19 0.02 1 32 5 LEU HA H 4.30 0.02 1 33 5 LEU HB2 H 1.53 0.02 2 34 5 LEU HB3 H 1.58 0.02 2 35 5 LEU HG H 1.53 0.02 1 36 5 LEU HD1 H 0.81 0.02 2 37 5 LEU HD2 H 0.87 0.02 2 38 5 LEU C C 177.29 0.2 1 39 5 LEU CA C 55.50 0.2 1 40 5 LEU CB C 42.50 0.2 1 41 5 LEU N N 122.54 0.2 1 42 6 ASP H H 8.26 0.02 1 43 6 ASP HA H 4.53 0.02 1 44 6 ASP HB2 H 2.58 0.02 2 45 6 ASP HB3 H 2.66 0.02 2 46 6 ASP C C 176.09 0.2 1 47 6 ASP CA C 54.70 0.2 1 48 6 ASP CB C 41.00 0.2 1 49 6 ASP N N 120.44 0.2 1 50 7 GLN H H 8.16 0.02 1 51 7 GLN HA H 4.30 0.02 1 52 7 GLN HB2 H 1.94 0.02 2 53 7 GLN HB3 H 2.09 0.02 2 54 7 GLN HG2 H 2.30 0.02 1 55 7 GLN HG3 H 2.30 0.02 1 56 7 GLN HE21 H 7.54 0.02 1 57 7 GLN HE22 H 6.77 0.02 1 58 7 GLN C C 175.79 0.2 1 59 7 GLN CA C 56.00 0.2 1 60 7 GLN CB C 29.90 0.2 1 61 7 GLN N N 119.34 0.2 1 62 7 GLN NE2 N 112.10 0.2 1 63 8 GLN H H 8.38 0.02 1 64 8 GLN HA H 4.31 0.02 1 65 8 GLN HB2 H 1.96 0.02 2 66 8 GLN HB3 H 2.08 0.02 2 67 8 GLN HG2 H 2.30 0.02 1 68 8 GLN HG3 H 2.30 0.02 1 69 8 GLN HE21 H 7.58 0.02 1 70 8 GLN HE22 H 6.77 0.02 1 71 8 GLN C C 175.89 0.2 1 72 8 GLN CA C 56.00 0.2 1 73 8 GLN CB C 29.80 0.2 1 74 8 GLN N N 121.44 0.2 1 75 8 GLN NE2 N 112.10 0.2 1 76 9 GLU H H 8.47 0.02 1 77 9 GLU HA H 4.34 0.02 1 78 9 GLU HB2 H 1.91 0.02 2 79 9 GLU HB3 H 2.05 0.02 2 80 9 GLU HG2 H 2.22 0.02 2 81 9 GLU HG3 H 2.31 0.02 2 82 9 GLU C C 176.49 0.2 1 83 9 GLU CA C 56.50 0.2 1 84 9 GLU CB C 30.30 0.2 1 85 9 GLU N N 122.54 0.2 1 86 10 GLU H H 8.41 0.02 1 87 10 GLU HA H 4.53 0.02 1 88 10 GLU HB2 H 1.47 0.02 2 89 10 GLU HB3 H 1.53 0.02 2 90 10 GLU HG2 H 1.78 0.02 1 91 10 GLU HG3 H 1.78 0.02 1 92 10 GLU C C 176.89 0.2 1 93 10 GLU CA C 55.40 0.2 1 94 10 GLU CB C 30.50 0.2 1 95 10 GLU N N 120.64 0.2 1 96 11 SER H H 8.46 0.02 1 97 11 SER HA H 4.48 0.02 1 98 11 SER HB2 H 3.72 0.02 2 99 11 SER HB3 H 4.21 0.02 2 100 11 SER C C 172.59 0.2 1 101 11 SER CA C 57.10 0.2 1 102 11 SER CB C 62.60 0.2 1 103 11 SER N N 111.54 0.2 1 104 12 LEU H H 5.97 0.02 1 105 12 LEU HA H 4.58 0.02 1 106 12 LEU HB2 H 0.14 0.02 1 107 12 LEU HB3 H 0.69 0.02 1 108 12 LEU HG H 0.99 0.02 1 109 12 LEU HD1 H 0.36 0.02 1 110 12 LEU HD2 H 0.45 0.02 1 111 12 LEU C C 174.99 0.2 1 112 12 LEU CA C 54.00 0.2 1 113 12 LEU CB C 43.50 0.2 1 114 12 LEU N N 120.54 0.2 1 115 13 TYR H H 8.82 0.02 1 116 13 TYR HA H 5.04 0.02 1 117 13 TYR HB2 H 3.13 0.02 1 118 13 TYR HB3 H 3.19 0.02 1 119 13 TYR HD1 H 7.23 0.02 1 120 13 TYR HD2 H 7.23 0.02 1 121 13 TYR HE1 H 6.82 0.02 1 122 13 TYR HE2 H 6.82 0.02 1 123 13 TYR C C 174.19 0.2 1 124 13 TYR CA C 57.20 0.2 1 125 13 TYR CB C 43.20 0.02 1 126 13 TYR N N 123.54 0.2 1 127 14 LEU H H 9.15 0.02 1 128 14 LEU HA H 5.77 0.02 1 129 14 LEU HB2 H 1.47 0.02 1 130 14 LEU HB3 H 1.73 0.02 1 131 14 LEU HG H 1.75 0.02 1 132 14 LEU HD1 H 0.73 0.02 1 133 14 LEU HD2 H 0.86 0.02 1 134 14 LEU C C 175.49 0.2 1 135 14 LEU CA C 55.20 0.2 1 136 14 LEU CB C 44.20 0.02 1 137 14 LEU N N 121.44 0.2 1 138 15 TRP H H 10.55 0.02 1 139 15 TRP HA H 5.66 0.02 1 140 15 TRP HB2 H 3.20 0.02 1 141 15 TRP HB3 H 3.52 0.02 1 142 15 TRP HD1 H 6.64 0.02 1 143 15 TRP HE1 H 10.56 0.02 1 144 15 TRP HE3 H 7.27 0.02 1 145 15 TRP HZ2 H 7.33 0.02 1 146 15 TRP HZ3 H 6.87 0.02 1 147 15 TRP HH2 H 7.10 0.02 1 148 15 TRP C C 172.59 0.2 1 149 15 TRP CA C 57.00 0.2 1 150 15 TRP CB C 30.00 0.2 1 151 15 TRP N N 129.04 0.2 1 152 15 TRP NE1 N 130.30 0.2 1 153 16 ILE H H 9.04 0.02 1 154 16 ILE HA H 4.40 0.02 1 155 16 ILE HB H 1.74 0.02 1 156 16 ILE HG12 H 1.62 0.02 1 157 16 ILE HG13 H 1.77 0.02 1 158 16 ILE HG2 H 0.85 0.02 1 159 16 ILE HD1 H 0.66 0.02 1 160 16 ILE C C 175.69 0.2 1 161 16 ILE CA C 60.20 0.2 1 162 16 ILE CB C 34.00 0.2 1 163 16 ILE N N 118.54 0.2 1 164 17 ASP H H 9.19 0.02 1 165 17 ASP HA H 5.00 0.02 1 166 17 ASP HB2 H 3.08 0.02 1 167 17 ASP HB3 H 2.51 0.02 1 168 17 ASP C C 175.09 0.2 1 169 17 ASP CA C 54.60 0.2 1 170 17 ASP CB C 42.90 0.2 1 171 17 ASP N N 126.64 0.2 1 172 18 ALA H H 8.38 0.02 1 173 18 ALA HA H 3.80 0.02 1 174 18 ALA HB H 1.13 0.02 1 175 18 ALA C C 179.09 0.2 1 176 18 ALA CA C 55.70 0.2 1 177 18 ALA CB C 20.10 0.2 1 178 18 ALA N N 123.14 0.2 1 179 19 HIS H H 8.28 0.02 1 180 19 HIS HA H 4.28 0.02 1 181 19 HIS HB2 H 3.16 0.02 1 182 19 HIS HB3 H 3.24 0.02 1 183 19 HIS HD2 H 7.17 0.02 1 184 19 HIS HE1 H 8.21 0.02 1 185 19 HIS C C 177.79 0.2 1 186 19 HIS CA C 59.10 0.2 1 187 19 HIS CB C 28.00 0.2 1 188 19 HIS N N 115.04 0.2 1 189 20 GLN H H 8.17 0.02 1 190 20 GLN HA H 4.23 0.02 1 191 20 GLN HB2 H 2.26 0.02 1 192 20 GLN HB3 H 2.18 0.02 1 193 20 GLN HG2 H 2.23 0.02 1 194 20 GLN HG3 H 2.23 0.02 1 195 20 GLN HE21 H 8.00 0.02 1 196 20 GLN HE22 H 7.30 0.02 1 197 20 GLN C C 179.49 0.2 1 198 20 GLN CA C 57.40 0.2 1 199 20 GLN CB C 29.50 0.2 1 200 20 GLN N N 121.84 0.2 1 201 20 GLN NE2 N 114.80 0.2 1 202 21 ALA H H 9.36 0.02 1 203 21 ALA HA H 3.83 0.02 1 204 21 ALA HB H 1.66 0.02 1 205 21 ALA C C 179.59 0.2 1 206 21 ALA CA C 56.40 0.2 1 207 21 ALA CB C 19.80 0.2 1 208 21 ALA N N 124.24 0.2 1 209 22 ARG H H 8.05 0.02 1 210 22 ARG HA H 3.59 0.02 1 211 22 ARG HB2 H 1.92 0.02 1 212 22 ARG HB3 H 1.92 0.02 1 213 22 ARG HG2 H 1.72 0.02 1 214 22 ARG HG3 H 1.72 0.02 1 215 22 ARG C C 179.19 0.2 1 216 22 ARG CA C 60.00 0.2 1 217 22 ARG CB C 29.80 0.2 1 218 22 ARG N N 119.84 0.2 1 219 23 VAL H H 7.17 0.02 1 220 23 VAL HA H 3.74 0.02 1 221 23 VAL HB H 2.06 0.02 1 222 23 VAL HG1 H 0.90 0.02 1 223 23 VAL HG2 H 0.97 0.02 1 224 23 VAL C C 176.09 0.2 1 225 23 VAL CA C 64.90 0.2 1 226 23 VAL CB C 32.70 0.2 1 227 23 VAL N N 114.74 0.2 1 228 24 LEU H H 7.67 0.02 1 229 24 LEU HA H 4.26 0.02 1 230 24 LEU HB2 H 1.75 0.02 1 231 24 LEU HB3 H 1.63 0.02 1 232 24 LEU HG H 1.65 0.02 1 233 24 LEU HD1 H 0.85 0.02 1 234 24 LEU HD2 H 0.93 0.02 1 235 24 LEU C C 177.09 0.2 1 236 24 LEU CA C 57.70 0.2 1 237 24 LEU CB C 45.30 0.2 1 238 24 LEU N N 117.54 0.2 1 239 25 ILE H H 8.35 0.02 1 240 25 ILE HA H 4.67 0.02 1 241 25 ILE HB H 2.16 0.02 1 242 25 ILE HG12 H 1.25 0.02 1 243 25 ILE HG13 H 1.34 0.02 1 244 25 ILE HG2 H 0.86 0.02 1 245 25 ILE HD1 H 0.80 0.02 1 246 25 ILE C C 176.59 0.2 1 247 25 ILE CA C 60.70 0.2 1 248 25 ILE CB C 41.40 0.2 1 249 25 ILE N N 106.84 0.2 1 250 26 GLY H H 7.74 0.02 1 251 26 GLY HA2 H 3.82 0.02 1 252 26 GLY HA3 H 4.15 0.02 1 253 26 GLY C C 173.19 0.2 1 254 26 GLY CA C 46.50 0.2 1 255 26 GLY N N 108.84 0.2 1 256 27 PHE H H 6.79 0.02 1 257 27 PHE HA H 4.74 0.02 1 258 27 PHE HB2 H 2.72 0.02 1 259 27 PHE HB3 H 2.89 0.02 1 260 27 PHE HD1 H 7.11 0.02 1 261 27 PHE HD2 H 7.11 0.02 1 262 27 PHE HE1 H 7.27 0.02 1 263 27 PHE HE2 H 7.27 0.02 1 264 27 PHE HZ H 7.25 0.02 1 265 27 PHE C C 173.59 0.2 1 266 27 PHE CA C 56.50 0.2 1 267 27 PHE CB C 42.20 0.2 1 268 27 PHE N N 118.24 0.2 1 269 28 GLU H H 8.51 0.02 1 270 28 GLU HA H 4.46 0.02 1 271 28 GLU HB2 H 1.59 0.02 1 272 28 GLU HB3 H 2.10 0.02 1 273 28 GLU HG2 H 1.99 0.02 1 274 28 GLU HG3 H 2.09 0.02 1 275 28 GLU C C 174.49 0.2 1 276 28 GLU CA C 55.30 0.2 1 277 28 GLU CB C 29.40 0.2 1 278 28 GLU N N 124.24 0.2 1 279 29 GLU H H 7.12 0.02 1 280 29 GLU HA H 4.43 0.02 1 281 29 GLU HB2 H 1.60 0.02 1 282 29 GLU HB3 H 1.85 0.02 1 283 29 GLU HG2 H 1.99 0.02 1 284 29 GLU HG3 H 1.99 0.02 1 285 29 GLU C C 173.69 0.2 1 286 29 GLU CA C 54.90 0.2 1 287 29 GLU CB C 32.90 0.2 1 288 29 GLU N N 122.24 0.2 1 289 30 ASP H H 8.22 0.02 1 290 30 ASP HA H 4.83 0.02 1 291 30 ASP HB2 H 2.25 0.02 1 292 30 ASP HB3 H 2.35 0.02 1 293 30 ASP C C 176.99 0.2 1 294 30 ASP CA C 55.00 0.2 1 295 30 ASP CB C 41.00 0.2 1 296 30 ASP N N 120.24 0.2 1 297 31 ILE H H 9.13 0.02 1 298 31 ILE HA H 4.26 0.02 1 299 31 ILE HB H 1.81 0.02 1 300 31 ILE HG12 H 0.81 0.02 2 301 31 ILE HG13 H 0.92 0.02 2 302 31 ILE HG2 H 0.64 0.02 1 303 31 ILE HD1 H 0.67 0.02 1 304 31 ILE C C 175.89 0.2 1 305 31 ILE CA C 60.40 0.2 1 306 31 ILE CB C 40.40 0.2 1 307 31 ILE N N 121.04 0.2 1 308 32 LEU H H 8.92 0.02 1 309 32 LEU HA H 4.51 0.02 1 310 32 LEU HB2 H 1.77 0.02 1 311 32 LEU HB3 H 1.63 0.02 1 312 32 LEU HG H 1.67 0.02 1 313 32 LEU HD1 H 0.95 0.02 1 314 32 LEU HD2 H 1.07 0.02 1 315 32 LEU C C 175.69 0.2 1 316 32 LEU CA C 56.00 0.2 1 317 32 LEU CB C 42.20 0.2 1 318 32 LEU N N 129.84 0.2 1 319 33 ILE H H 8.79 0.02 1 320 33 ILE HA H 4.28 0.02 1 321 33 ILE HB H 1.76 0.02 1 322 33 ILE HG12 H 1.36 0.02 1 323 33 ILE HG13 H 1.83 0.02 1 324 33 ILE HG2 H 0.97 0.02 1 325 33 ILE HD1 H 0.99 0.02 1 326 33 ILE C C 175.39 0.2 1 327 33 ILE CA C 63.00 0.2 1 328 33 ILE CB C 39.40 0.2 1 329 33 ILE N N 123.54 0.2 1 330 34 VAL H H 8.64 0.02 1 331 34 VAL HA H 4.72 0.02 1 332 34 VAL HB H 1.90 0.02 1 333 34 VAL HG1 H 0.47 0.02 1 334 34 VAL HG2 H 0.80 0.02 1 335 34 VAL C C 174.09 0.2 1 336 34 VAL CA C 60.90 0.2 1 337 34 VAL CB C 35.00 0.02 1 338 34 VAL N N 118.44 0.2 1 339 35 SER H H 8.62 0.02 1 340 35 SER HA H 4.62 0.02 1 341 35 SER HB2 H 3.65 0.02 1 342 35 SER HB3 H 3.84 0.02 1 343 35 SER C C 174.99 0.2 1 344 35 SER CA C 56.70 0.2 1 345 35 SER CB C 65.20 0.2 1 346 35 SER N N 118.64 0.2 1 347 36 GLU H H 5.73 0.02 1 348 36 GLU HA H 3.18 0.02 1 349 36 GLU HB2 H 2.14 0.02 2 350 36 GLU HB3 H 2.19 0.02 2 351 36 GLU HG2 H 2.31 0.02 1 352 36 GLU HG3 H 2.31 0.02 1 353 36 GLU C C 175.79 0.2 1 354 36 GLU CA C 58.60 0.2 1 355 36 GLU CB C 31.80 0.2 1 356 36 GLU N N 123.04 0.2 1 357 37 GLY H H 8.43 0.02 1 358 37 GLY HA2 H 2.84 0.02 1 359 37 GLY HA3 H 3.77 0.02 1 360 37 GLY C C 171.19 0.2 1 361 37 GLY CA C 46.20 0.2 1 362 37 GLY N N 135.64 0.2 1 363 38 LYS H H 7.54 0.02 1 364 38 LYS HA H 4.61 0.02 1 365 38 LYS HB2 H 1.79 0.02 1 366 38 LYS HB3 H 1.79 0.02 1 367 38 LYS HG2 H 1.40 0.02 1 368 38 LYS HG3 H 1.40 0.02 1 369 38 LYS C C 174.49 0.2 1 370 38 LYS CA C 54.70 0.2 1 371 38 LYS CB C 34.70 0.2 1 372 38 LYS N N 118.04 0.2 1 373 39 MET H H 8.91 0.02 1 374 39 MET HA H 4.58 0.02 1 375 39 MET HB2 H 1.87 0.02 2 376 39 MET HB3 H 2.07 0.02 2 377 39 MET HG2 H 2.46 0.02 2 378 39 MET HG3 H 2.65 0.02 2 379 39 MET HE H 1.97 0.02 1 380 39 MET CA C 56.00 0.2 1 381 39 MET N N 122.74 0.2 1 382 40 ALA H H 8.42 0.02 1 383 40 ALA HA H 4.52 0.02 1 384 40 ALA HB H 1.35 0.02 1 385 40 ALA N N 122.94 0.2 1 386 41 PRO HA H 4.08 0.02 1 387 41 PRO HB2 H 2.06 0.02 2 388 41 PRO HB3 H 2.39 0.02 2 389 41 PRO HG2 H 2.07 0.02 1 390 41 PRO HG3 H 2.22 0.02 1 391 41 PRO HD2 H 3.88 0.02 1 392 41 PRO HD3 H 3.96 0.02 1 393 42 PHE H H 7.91 0.02 1 394 42 PHE HA H 4.34 0.02 1 395 42 PHE HB2 H 3.07 0.02 2 396 42 PHE HB3 H 3.15 0.02 2 397 42 PHE HD1 H 7.24 0.02 1 398 42 PHE HD2 H 7.24 0.02 1 399 42 PHE HE1 H 7.30 0.02 1 400 42 PHE HE2 H 7.30 0.02 1 401 42 PHE HZ H 7.22 0.02 1 402 42 PHE C C 176.99 0.2 1 403 42 PHE CB C 39.20 0.2 1 404 42 PHE N N 119.24 0.2 1 405 43 THR H H 7.48 0.02 1 406 43 THR HA H 3.78 0.02 1 407 43 THR HB H 4.01 0.02 1 408 43 THR HG2 H 0.75 0.02 1 409 43 THR CA C 63.70 0.2 1 410 43 THR CB C 69.60 0.2 1 411 43 THR N N 110.84 0.2 1 412 44 HIS H H 8.16 0.02 1 413 44 HIS HA H 4.32 0.02 1 414 44 HIS HB2 H 3.15 0.02 2 415 44 HIS HB3 H 3.33 0.02 2 416 44 HIS N N 120.94 0.2 1 417 45 ASP H H 8.15 0.02 1 418 45 ASP HA H 4.43 0.02 1 419 45 ASP HB2 H 2.59 0.02 1 420 45 ASP HB3 H 2.59 0.02 1 421 45 ASP N N 120.14 0.2 1 422 46 PHE H H 7.91 0.02 1 423 46 PHE HA H 4.33 0.02 1 424 46 PHE HB2 H 3.06 0.02 2 425 46 PHE HB3 H 3.13 0.02 2 426 46 PHE HD1 H 7.29 0.02 1 427 46 PHE HD2 H 7.29 0.02 1 428 46 PHE HE1 H 7.02 0.02 1 429 46 PHE HE2 H 7.02 0.02 1 430 46 PHE HZ H 7.29 0.02 1 431 46 PHE C C 176.79 0.2 1 432 46 PHE CB C 39.50 0.2 1 433 46 PHE N N 119.74 0.2 1 434 47 ARG H H 7.81 0.02 1 435 47 ARG HA H 4.07 0.02 1 436 47 ARG HB2 H 1.88 0.02 1 437 47 ARG HB3 H 1.88 0.02 1 438 47 ARG HG2 H 1.80 0.02 1 439 47 ARG HG3 H 1.80 0.02 1 440 47 ARG HD2 H 3.14 0.02 1 441 47 ARG HD3 H 3.14 0.02 1 442 47 ARG C C 177.69 0.2 1 443 47 ARG CA C 57.70 0.2 1 444 47 ARG CB C 30.60 0.2 1 445 47 ARG N N 117.74 0.2 1 446 48 LYS H H 7.75 0.02 1 447 48 LYS HA H 4.13 0.02 1 448 48 LYS HB2 H 1.85 0.02 1 449 48 LYS HB3 H 1.75 0.02 1 450 48 LYS HG2 H 1.37 0.02 2 451 48 LYS HG3 H 1.43 0.02 2 452 48 LYS HD2 H 1.62 0.02 1 453 48 LYS HD3 H 1.62 0.02 1 454 48 LYS HE2 H 2.92 0.02 1 455 48 LYS HE3 H 2.92 0.02 1 456 48 LYS C C 176.99 0.2 1 457 48 LYS CA C 57.70 0.2 1 458 48 LYS CB C 32.90 0.2 1 459 48 LYS N N 119.04 0.2 1 460 49 ALA H H 7.75 0.02 1 461 49 ALA HA H 4.19 0.02 1 462 49 ALA HB H 1.37 0.02 1 463 49 ALA C C 177.89 0.2 1 464 49 ALA CA C 53.50 0.2 1 465 49 ALA CB C 19.20 0.2 1 466 49 ALA N N 121.24 0.2 1 467 50 GLN H H 8.00 0.02 1 468 50 GLN HA H 4.02 0.02 1 469 50 GLN HB2 H 1.93 0.02 1 470 50 GLN HB3 H 2.06 0.02 1 471 50 GLN HG2 H 2.21 0.02 1 472 50 GLN HG3 H 2.21 0.02 1 473 50 GLN HE21 H 7.36 0.02 1 474 50 GLN HE22 H 6.72 0.02 1 475 50 GLN C C 175.79 0.2 1 476 50 GLN CA C 57.10 0.2 1 477 50 GLN CB C 28.60 0.2 1 478 50 GLN N N 115.54 0.2 1 479 50 GLN NE2 N 111.60 0.2 1 480 51 GLN H H 7.75 0.02 1 481 51 GLN HA H 4.23 0.02 1 482 51 GLN HB2 H 1.95 0.02 1 483 51 GLN HB3 H 1.95 0.02 1 484 51 GLN HG2 H 2.22 0.02 1 485 51 GLN HG3 H 2.22 0.02 1 486 51 GLN HE21 H 7.37 0.02 1 487 51 GLN HE22 H 6.76 0.02 1 488 51 GLN CA C 56.10 0.2 1 489 51 GLN CB C 30.20 0.2 1 490 51 GLN N N 118.24 0.2 1 491 51 GLN NE2 N 111.70 0.2 1 492 52 ARG H H 8.09 0.02 1 493 52 ARG HA H 4.22 0.02 1 494 52 ARG N N 120.94 0.2 1 495 53 MET HE H 1.18 0.02 1 496 54 PRO HA H 4.38 0.02 1 497 54 PRO HB2 H 1.86 0.02 1 498 54 PRO HB3 H 2.31 0.02 1 499 54 PRO HG2 H 2.00 0.02 1 500 54 PRO HG3 H 2.00 0.02 1 501 54 PRO HD2 H 3.60 0.02 2 502 54 PRO HD3 H 3.96 0.02 2 503 54 PRO C C 175.29 0.2 1 504 54 PRO CA C 62.70 0.2 1 505 54 PRO CB C 32.30 0.2 1 506 55 ALA H H 8.09 0.02 1 507 55 ALA HA H 4.38 0.02 1 508 55 ALA HB H 1.11 0.02 1 509 55 ALA C C 178.09 0.2 1 510 55 ALA CA C 51.80 0.2 1 511 55 ALA CB C 19.70 0.2 1 512 55 ALA N N 120.94 0.2 1 513 56 ILE H H 8.83 0.02 1 514 56 ILE HA H 4.02 0.02 1 515 56 ILE HB H 0.80 0.02 1 516 56 ILE HG12 H 1.59 0.02 1 517 56 ILE HG13 H 1.88 0.02 1 518 56 ILE HG2 H 0.87 0.02 1 519 56 ILE HD1 H 0.33 0.02 1 520 56 ILE CA C 60.30 0.2 1 521 56 ILE CB C 40.30 0.2 1 522 56 ILE N N 123.94 0.2 1 523 57 PRO HA H 4.63 0.02 1 524 57 PRO HB2 H 2.22 0.02 1 525 57 PRO HB3 H 2.47 0.02 1 526 57 PRO HG2 H 2.04 0.02 1 527 57 PRO HG3 H 2.13 0.02 1 528 57 PRO HD2 H 3.47 0.02 1 529 57 PRO HD3 H 4.09 0.02 1 530 57 PRO C C 178.99 0.2 1 531 57 PRO CA C 63.40 0.2 1 532 57 PRO CB C 34.10 0.2 1 533 58 VAL H H 8.73 0.02 1 534 58 VAL HA H 3.63 0.02 1 535 58 VAL HB H 2.05 0.02 1 536 58 VAL HG1 H 0.93 0.02 2 537 58 VAL HG2 H 0.96 0.02 2 538 58 VAL C C 175.79 0.2 1 539 58 VAL CA C 65.00 0.2 1 540 58 VAL CB C 32.60 0.2 1 541 58 VAL N N 118.34 0.2 1 542 59 ASN H H 8.16 0.02 1 543 59 ASN HA H 4.54 0.02 1 544 59 ASN HB2 H 2.67 0.02 1 545 59 ASN HB3 H 2.94 0.02 1 546 59 ASN HD21 H 7.59 0.02 1 547 59 ASN HD22 H 6.94 0.02 1 548 59 ASN C C 174.19 0.2 1 549 59 ASN CA C 54.00 0.2 1 550 59 ASN CB C 37.50 0.2 1 551 59 ASN N N 112.44 0.2 1 552 59 ASN ND2 N 112.80 0.2 1 553 60 ILE H H 7.08 0.02 1 554 60 ILE HA H 4.20 0.02 1 555 60 ILE HB H 1.89 0.02 1 556 60 ILE HG12 H 1.23 0.02 2 557 60 ILE HG13 H 1.29 0.02 2 558 60 ILE HG2 H 0.88 0.02 1 559 60 ILE HD1 H 0.75 0.02 1 560 60 ILE C C 174.49 0.2 1 561 60 ILE CA C 59.90 0.2 1 562 60 ILE CB C 37.40 0.2 1 563 60 ILE N N 120.94 0.2 1 564 61 HIS H H 9.06 0.02 1 565 61 HIS HA H 4.87 0.02 1 566 61 HIS HB2 H 3.03 0.02 1 567 61 HIS HB3 H 3.22 0.02 1 568 61 HIS HD2 H 7.00 0.02 1 569 61 HIS HE1 H 8.26 0.02 1 570 61 HIS C C 174.79 0.2 1 571 61 HIS CA C 55.90 0.2 1 572 61 HIS CB C 30.20 0.2 1 573 61 HIS N N 123.04 0.2 1 574 62 SER H H 7.92 0.02 1 575 62 SER HA H 4.85 0.02 1 576 62 SER HB2 H 3.37 0.02 2 577 62 SER HB3 H 3.66 0.02 2 578 62 SER C C 171.09 0.2 1 579 62 SER CA C 57.10 0.2 1 580 62 SER CB C 65.20 0.2 1 581 62 SER N N 113.04 0.2 1 582 63 MET H H 9.00 0.02 1 583 63 MET HA H 4.61 0.02 1 584 63 MET HB2 H 1.74 0.02 1 585 63 MET HB3 H 2.16 0.02 1 586 63 MET HG2 H 2.57 0.02 2 587 63 MET HG3 H 2.70 0.02 2 588 63 MET HE H 1.89 0.02 1 589 63 MET C C 172.79 0.2 1 590 63 MET CA C 55.00 0.2 1 591 63 MET CB C 30.20 0.2 1 592 63 MET N N 118.24 0.2 1 593 64 ASN H H 8.66 0.02 1 594 64 ASN HA H 5.22 0.02 1 595 64 ASN HB2 H 2.23 0.02 1 596 64 ASN HB3 H 2.61 0.02 1 597 64 ASN HD21 H 7.58 0.02 1 598 64 ASN HD22 H 6.58 0.02 1 599 64 ASN C C 175.49 0.2 1 600 64 ASN CA C 52.10 0.2 1 601 64 ASN CB C 38.20 0.2 1 602 64 ASN N N 121.74 0.2 1 603 64 ASN ND2 N 110.90 0.2 1 604 65 PHE H H 9.16 0.02 1 605 65 PHE HA H 4.53 0.02 1 606 65 PHE HB2 H 2.50 0.02 2 607 65 PHE HB3 H 2.55 0.02 2 608 65 PHE HD1 H 6.82 0.02 1 609 65 PHE HD2 H 6.82 0.02 1 610 65 PHE HE1 H 6.81 0.02 1 611 65 PHE HE2 H 6.81 0.02 1 612 65 PHE HZ H 7.11 0.02 1 613 65 PHE C C 173.39 0.2 1 614 65 PHE CA C 57.30 0.2 1 615 65 PHE CB C 40.10 0.2 1 616 65 PHE N N 123.74 0.2 1 617 66 THR H H 9.13 0.02 1 618 66 THR HA H 4.68 0.02 1 619 66 THR HB H 1.82 0.02 1 620 66 THR HG2 H 0.26 0.02 1 621 66 THR C C 171.89 0.2 1 622 66 THR CA C 61.80 0.2 1 623 66 THR CB C 72.00 0.2 1 624 66 THR N N 117.74 0.2 1 625 67 TRP H H 8.91 0.02 1 626 67 TRP HA H 5.70 0.02 1 627 67 TRP HB2 H 3.20 0.02 1 628 67 TRP HB3 H 3.27 0.02 1 629 67 TRP HD1 H 7.17 0.02 1 630 67 TRP HE1 H 10.16 0.02 1 631 67 TRP HE3 H 6.85 0.02 1 632 67 TRP HZ2 H 6.51 0.02 1 633 67 TRP HZ3 H 6.10 0.02 1 634 67 TRP HH2 H 5.43 0.02 1 635 67 TRP C C 175.09 0.2 1 636 67 TRP CA C 53.10 0.2 1 637 67 TRP CB C 33.40 0.2 1 638 67 TRP N N 121.24 0.2 1 639 67 TRP NE1 N 127.20 0.2 1 640 68 GLN H H 8.48 0.02 1 641 68 GLN HA H 4.30 0.02 1 642 68 GLN HB2 H 1.99 0.02 1 643 68 GLN HB3 H 1.93 0.02 1 644 68 GLN HG2 H 2.09 0.02 1 645 68 GLN HG3 H 2.13 0.02 1 646 68 GLN HE21 H 7.13 0.02 1 647 68 GLN HE22 H 6.73 0.02 1 648 68 GLN C C 173.59 0.2 1 649 68 GLN CA C 56.70 0.2 1 650 68 GLN CB C 33.60 0.2 1 651 68 GLN N N 114.74 0.2 1 652 68 GLN NE2 N 106.70 0.2 1 653 69 ALA H H 8.60 0.02 1 654 69 ALA HA H 4.84 0.02 1 655 69 ALA HB H 1.02 0.02 1 656 69 ALA C C 177.29 0.2 1 657 69 ALA CA C 51.40 0.2 1 658 69 ALA CB C 18.80 0.2 1 659 69 ALA N N 130.34 0.2 1 660 70 ALA H H 8.57 0.02 1 661 70 ALA HA H 4.56 0.02 1 662 70 ALA HB H 1.47 0.02 1 663 70 ALA C C 176.79 0.2 1 664 70 ALA CA C 53.30 0.2 1 665 70 ALA CB C 20.20 0.2 1 666 70 ALA N N 125.54 0.2 1 667 71 GLY H H 8.74 0.02 1 668 71 GLY HA2 H 3.86 0.02 1 669 71 GLY HA3 H 4.40 0.02 1 670 71 GLY C C 173.89 0.2 1 671 71 GLY CA C 45.20 0.2 1 672 71 GLY N N 109.84 0.2 1 673 72 GLN H H 8.46 0.02 1 674 72 GLN HA H 4.04 0.02 1 675 72 GLN HB2 H 1.88 0.02 1 676 72 GLN HB3 H 2.07 0.02 1 677 72 GLN HG2 H 2.29 0.02 1 678 72 GLN HG3 H 2.29 0.02 1 679 72 GLN HE21 H 7.47 0.02 1 680 72 GLN HE22 H 6.74 0.02 1 681 72 GLN C C 176.79 0.2 1 682 72 GLN CA C 56.50 0.2 1 683 72 GLN CB C 29.80 0.2 1 684 72 GLN N N 119.04 0.2 1 685 72 GLN NE2 N 112.70 0.2 1 686 73 ALA H H 7.58 0.02 1 687 73 ALA HA H 4.12 0.02 1 688 73 ALA HB H 1.16 0.02 1 689 73 ALA C C 176.59 0.2 1 690 73 ALA CA C 52.70 0.2 1 691 73 ALA CB C 20.20 0.2 1 692 73 ALA N N 122.14 0.2 1 693 74 GLU H H 7.80 0.02 1 694 74 GLU HA H 4.50 0.02 1 695 74 GLU HB2 H 1.51 0.02 2 696 74 GLU HB3 H 1.54 0.02 2 697 74 GLU HG2 H 2.15 0.02 1 698 74 GLU HG3 H 2.15 0.02 1 699 74 GLU C C 175.39 0.2 1 700 74 GLU CA C 54.00 0.2 1 701 74 GLU CB C 31.90 0.2 1 702 74 GLU N N 118.54 0.2 1 703 75 TYR H H 8.97 0.02 1 704 75 TYR HA H 4.87 0.02 1 705 75 TYR HB2 H 2.03 0.02 1 706 75 TYR HB3 H 2.62 0.02 1 707 75 TYR HD1 H 6.63 0.02 1 708 75 TYR HD2 H 6.73 0.02 1 709 75 TYR HE1 H 6.68 0.02 1 710 75 TYR HE2 H 6.68 0.02 1 711 75 TYR C C 174.19 0.2 1 712 75 TYR CA C 57.00 0.2 1 713 75 TYR CB C 38.40 0.2 1 714 75 TYR N N 118.64 0.2 1 715 76 PHE H H 8.77 0.02 1 716 76 PHE HA H 5.01 0.02 1 717 76 PHE HB2 H 2.57 0.02 1 718 76 PHE HB3 H 3.21 0.02 1 719 76 PHE HD1 H 6.94 0.02 1 720 76 PHE HD2 H 6.94 0.02 1 721 76 PHE HE1 H 7.04 0.02 1 722 76 PHE HE2 H 7.04 0.02 1 723 76 PHE HZ H 7.11 0.02 1 724 76 PHE C C 174.59 0.2 1 725 76 PHE CA C 56.60 0.2 1 726 76 PHE CB C 41.60 0.2 1 727 76 PHE N N 121.64 0.2 1 728 77 TYR H H 8.86 0.02 1 729 77 TYR HA H 5.97 0.02 1 730 77 TYR HB2 H 2.79 0.02 1 731 77 TYR HB3 H 2.26 0.02 1 732 77 TYR HD1 H 7.32 0.02 1 733 77 TYR HD2 H 7.32 0.02 1 734 77 TYR HE1 H 7.32 0.02 1 735 77 TYR HE2 H 7.32 0.02 1 736 77 TYR HH H 9.05 0.02 1 737 77 TYR C C 174.09 0.2 1 738 77 TYR CA C 55.40 0.2 1 739 77 TYR CB C 36.90 0.2 1 740 77 TYR N N 120.44 0.2 1 741 78 GLU H H 8.64 0.02 1 742 78 GLU HA H 5.04 0.02 1 743 78 GLU HB2 H 1.84 0.02 1 744 78 GLU HB3 H 1.90 0.02 1 745 78 GLU HG2 H 2.18 0.02 1 746 78 GLU HG3 H 2.18 0.02 1 747 78 GLU C C 175.89 0.2 1 748 78 GLU CA C 56.00 0.2 1 749 78 GLU CB C 32.90 0.2 1 750 78 GLU N N 118.84 0.2 1 751 79 PHE H H 9.53 0.02 1 752 79 PHE HA H 4.66 0.02 1 753 79 PHE HB2 H 3.34 0.02 1 754 79 PHE HB3 H 2.62 0.02 1 755 79 PHE HD1 H 7.32 0.02 1 756 79 PHE HD2 H 7.32 0.02 1 757 79 PHE HE1 H 6.81 0.02 1 758 79 PHE HE2 H 6.81 0.02 1 759 79 PHE HZ H 6.54 0.02 1 760 79 PHE C C 175.19 0.2 1 761 79 PHE CA C 58.50 0.2 1 762 79 PHE CB C 39.20 0.2 1 763 79 PHE N N 125.24 0.2 1 764 80 LEU H H 8.70 0.02 1 765 80 LEU HA H 4.17 0.02 1 766 80 LEU HB2 H 1.48 0.02 1 767 80 LEU HB3 H 1.55 0.02 1 768 80 LEU HG H 1.50 0.02 1 769 80 LEU HD1 H 0.79 0.02 1 770 80 LEU HD2 H 0.74 0.02 1 771 80 LEU C C 178.49 0.2 1 772 80 LEU CA C 56.70 0.2 1 773 80 LEU CB C 43.20 0.2 1 774 80 LEU N N 127.64 0.2 1 775 81 SER H H 7.82 0.02 1 776 81 SER HA H 4.54 0.02 1 777 81 SER HB2 H 3.67 0.02 1 778 81 SER HB3 H 3.72 0.02 1 779 81 SER C C 172.99 0.2 1 780 81 SER CA C 58.70 0.2 1 781 81 SER CB C 65.40 0.2 1 782 81 SER N N 109.64 0.2 1 783 82 LEU H H 8.41 0.02 1 784 82 LEU HA H 4.96 0.02 1 785 82 LEU HB2 H 1.56 0.02 1 786 82 LEU HB3 H 1.63 0.02 1 787 82 LEU HG H 1.38 0.02 1 788 82 LEU HD1 H 0.70 0.02 1 789 82 LEU HD2 H 0.72 0.02 1 790 82 LEU C C 175.09 0.2 1 791 82 LEU CA C 55.20 0.2 1 792 82 LEU CB C 43.50 0.2 1 793 82 LEU N N 129.34 0.2 1 794 83 ARG H H 8.36 0.02 1 795 83 ARG HA H 4.97 0.02 1 796 83 ARG HB2 H 1.63 0.02 2 797 83 ARG HB3 H 1.81 0.02 2 798 83 ARG HG2 H 1.40 0.02 2 799 83 ARG HG3 H 1.56 0.02 2 800 83 ARG HD2 H 3.10 0.02 1 801 83 ARG HD3 H 3.17 0.02 1 802 83 ARG C C 175.69 0.2 1 803 83 ARG CA C 54.90 0.2 1 804 83 ARG CB C 34.80 0.2 1 805 83 ARG N N 119.64 0.2 1 806 84 SER H H 9.88 0.02 1 807 84 SER HA H 4.71 0.02 1 808 84 SER HB2 H 3.73 0.02 1 809 84 SER HB3 H 3.73 0.02 1 810 84 SER C C 175.69 0.2 1 811 84 SER CA C 56.70 0.2 1 812 84 SER CB C 63.90 0.2 1 813 84 SER N N 119.64 0.2 1 814 85 LEU H H 9.50 0.02 1 815 85 LEU HA H 4.42 0.02 1 816 85 LEU HB2 H 1.57 0.02 1 817 85 LEU HB3 H 1.72 0.02 1 818 85 LEU HG H 1.47 0.02 1 819 85 LEU HD1 H 0.75 0.02 1 820 85 LEU HD2 H 0.74 0.02 1 821 85 LEU C C 176.29 0.2 1 822 85 LEU CA C 55.80 0.2 1 823 85 LEU CB C 40.70 0.2 1 824 85 LEU N N 127.84 0.2 1 825 86 ASP H H 8.05 0.02 1 826 86 ASP HA H 5.07 0.02 1 827 86 ASP HB2 H 2.69 0.02 1 828 86 ASP HB3 H 2.45 0.02 1 829 86 ASP C C 176.89 0.2 1 830 86 ASP CA C 53.90 0.2 1 831 86 ASP CB C 43.70 0.2 1 832 86 ASP N N 121.34 0.2 1 833 87 LYS H H 8.77 0.02 1 834 87 LYS HA H 4.25 0.02 1 835 87 LYS HB2 H 1.68 0.02 1 836 87 LYS HB3 H 1.86 0.02 1 837 87 LYS HG2 H 1.41 0.02 2 838 87 LYS HG3 H 1.55 0.02 2 839 87 LYS C C 176.49 0.2 1 840 87 LYS CA C 58.70 0.2 1 841 87 LYS CB C 32.40 0.2 1 842 87 LYS N N 123.24 0.2 1 843 88 GLY H H 8.68 0.02 1 844 88 GLY HA2 H 3.59 0.02 2 845 88 GLY HA3 H 3.99 0.02 2 846 88 GLY C C 174.69 0.2 1 847 88 GLY CA C 45.40 0.2 1 848 88 GLY N N 104.64 0.2 1 849 89 ILE H H 7.52 0.02 1 850 89 ILE HA H 3.93 0.02 1 851 89 ILE HB H 1.71 0.02 1 852 89 ILE HG12 H 1.43 0.02 1 853 89 ILE HG13 H 1.43 0.02 1 854 89 ILE HG2 H 0.70 0.02 1 855 89 ILE HD1 H 0.64 0.02 1 856 89 ILE C C 175.49 0.2 1 857 89 ILE CA C 62.70 0.2 1 858 89 ILE CB C 39.40 0.2 1 859 89 ILE N N 118.44 0.2 1 860 90 MET H H 8.13 0.02 1 861 90 MET HA H 4.63 0.02 1 862 90 MET HB2 H 1.78 0.02 1 863 90 MET HB3 H 1.83 0.02 1 864 90 MET HG2 H 2.57 0.02 1 865 90 MET HG3 H 2.57 0.02 1 866 90 MET C C 173.99 0.2 1 867 90 MET CA C 55.10 0.2 1 868 90 MET CB C 30.10 0.2 1 869 90 MET N N 121.14 0.2 1 870 91 ALA H H 7.55 0.02 1 871 91 ALA HA H 4.50 0.02 1 872 91 ALA HB H 1.50 0.02 1 873 91 ALA C C 174.19 0.2 1 874 91 ALA CA C 51.80 0.2 1 875 91 ALA CB C 19.40 0.2 1 876 91 ALA N N 127.84 0.2 1 877 92 ASP H H 7.77 0.02 1 878 92 ASP HA H 4.31 0.02 1 879 92 ASP HB2 H 2.30 0.02 1 880 92 ASP HB3 H 2.71 0.02 1 881 92 ASP CA C 54.40 0.2 1 882 92 ASP CB C 39.70 0.2 1 883 92 ASP N N 114.94 0.2 1 884 93 PRO HA H 4.41 0.02 1 885 93 PRO HB2 H 1.68 0.02 2 886 93 PRO HB3 H 1.73 0.02 2 887 93 PRO HG2 H 1.68 0.02 2 888 93 PRO HG3 H 1.73 0.02 2 889 93 PRO HD2 H 3.21 0.02 1 890 93 PRO HD3 H 3.32 0.02 1 891 93 PRO C C 174.29 0.2 1 892 93 PRO CA C 62.50 0.2 1 893 93 PRO CB C 31.50 0.2 1 894 94 THR H H 7.66 0.02 1 895 94 THR HA H 4.48 0.02 1 896 94 THR HB H 4.06 0.02 1 897 94 THR HG2 H 0.99 0.02 1 898 94 THR C C 174.19 0.2 1 899 94 THR CA C 59.00 0.2 1 900 94 THR CB C 72.70 0.2 1 901 94 THR N N 107.24 0.2 1 902 95 VAL H H 8.20 0.02 1 903 95 VAL HA H 5.18 0.02 1 904 95 VAL HB H 1.48 0.02 1 905 95 VAL HG1 H 0.28 0.02 1 906 95 VAL HG2 H 0.28 0.02 1 907 95 VAL C C 175.59 0.2 1 908 95 VAL CA C 59.70 0.2 1 909 95 VAL CB C 36.60 0.2 1 910 95 VAL N N 110.94 0.2 1 911 96 ASN H H 7.93 0.02 1 912 96 ASN HA H 4.72 0.02 1 913 96 ASN HB2 H 2.47 0.02 1 914 96 ASN HB3 H 3.11 0.02 1 915 96 ASN HD21 H 7.64 0.02 1 916 96 ASN HD22 H 6.72 0.02 1 917 96 ASN C C 174.89 0.2 1 918 96 ASN CA C 53.10 0.2 1 919 96 ASN CB C 37.90 0.2 1 920 96 ASN N N 119.64 0.2 1 921 96 ASN ND2 N 112.40 0.2 1 922 97 VAL H H 6.66 0.02 1 923 97 VAL HA H 4.78 0.02 1 924 97 VAL HB H 2.46 0.02 1 925 97 VAL HG1 H 1.02 0.02 1 926 97 VAL HG2 H 0.69 0.02 1 927 97 VAL CA C 58.30 0.2 1 928 97 VAL CB C 33.10 0.2 1 929 97 VAL N N 110.74 0.2 1 930 98 PRO HA H 4.45 0.02 1 931 98 PRO HB2 H 2.10 0.02 1 932 98 PRO HB3 H 2.49 0.02 1 933 98 PRO HG2 H 2.07 0.02 2 934 98 PRO HG3 H 2.23 0.02 2 935 98 PRO HD2 H 3.69 0.02 1 936 98 PRO HD3 H 3.86 0.02 1 937 98 PRO C C 177.69 0.2 1 938 98 PRO CA C 62.70 0.2 1 939 98 PRO CB C 32.20 0.2 1 940 99 LEU H H 8.68 0.02 1 941 99 LEU HA H 4.24 0.02 1 942 99 LEU HB2 H 1.85 0.02 1 943 99 LEU HB3 H 1.90 0.02 1 944 99 LEU HG H 1.84 0.02 1 945 99 LEU HD1 H 0.74 0.02 1 946 99 LEU HD2 H 1.00 0.02 1 947 99 LEU C C 174.99 0.2 1 948 99 LEU CA C 58.00 0.2 1 949 99 LEU CB C 43.20 0.2 1 950 99 LEU N N 120.54 0.2 1 951 100 LEU H H 7.21 0.02 1 952 100 LEU HA H 4.73 0.02 1 953 100 LEU HB2 H 1.56 0.02 1 954 100 LEU HB3 H 1.56 0.02 1 955 100 LEU HG H 1.53 0.02 1 956 100 LEU HD1 H 0.28 0.02 1 957 100 LEU HD2 H 0.80 0.02 1 958 100 LEU C C 175.89 0.2 1 959 100 LEU CA C 54.50 0.2 1 960 100 LEU CB C 45.30 0.2 1 961 100 LEU N N 115.34 0.2 1 962 101 GLY H H 6.81 0.02 1 963 101 GLY HA2 H 3.81 0.02 2 964 101 GLY HA3 H 3.91 0.02 2 965 101 GLY C C 171.69 0.2 1 966 101 GLY CA C 46.50 0.2 1 967 101 GLY N N 106.64 0.2 1 968 102 THR H H 8.09 0.02 1 969 102 THR HA H 5.07 0.02 1 970 102 THR HB H 3.91 0.02 1 971 102 THR HG2 H 0.77 0.02 1 972 102 THR C C 174.79 0.2 1 973 102 THR CA C 59.50 0.2 1 974 102 THR CB C 71.40 0.2 1 975 102 THR N N 112.34 0.2 1 976 103 VAL H H 8.17 0.02 1 977 103 VAL HA H 3.25 0.02 1 978 103 VAL HB H 1.41 0.02 1 979 103 VAL HG1 H -0.05 0.02 1 980 103 VAL HG2 H -0.05 0.02 1 981 103 VAL CA C 60.90 0.2 1 982 103 VAL CB C 32.20 0.2 1 983 103 VAL N N 125.44 0.2 1 984 104 PRO HA H 4.34 0.02 1 985 104 PRO HB2 H 2.36 0.02 1 986 104 PRO HB3 H 2.36 0.02 1 987 104 PRO HG2 H 2.15 0.02 1 988 104 PRO HG3 H 2.15 0.02 1 989 104 PRO HD2 H 2.76 0.02 1 990 104 PRO HD3 H 3.65 0.02 1 991 104 PRO C C 176.39 0.2 1 992 104 PRO CA C 63.30 0.2 1 993 104 PRO CB C 32.80 0.2 1 994 105 HIS H H 8.66 0.02 1 995 105 HIS HA H 5.34 0.02 1 996 105 HIS HB2 H 3.08 0.02 1 997 105 HIS HB3 H 3.59 0.02 1 998 105 HIS HD2 H 7.38 0.02 1 999 105 HIS HE1 H 8.38 0.02 1 1000 105 HIS C C 175.19 0.2 1 1001 105 HIS CA C 56.30 0.2 1 1002 105 HIS CB C 28.70 0.2 1 1003 105 HIS N N 115.74 0.2 1 1004 106 LYS H H 7.43 0.02 1 1005 106 LYS HA H 4.57 0.02 1 1006 106 LYS HB2 H 1.73 0.02 2 1007 106 LYS HB3 H 1.77 0.02 2 1008 106 LYS HG2 H 1.37 0.02 2 1009 106 LYS HG3 H 1.42 0.02 2 1010 106 LYS HD2 H 1.59 0.02 1 1011 106 LYS HD3 H 1.59 0.02 1 1012 106 LYS HE2 H 3.03 0.02 1 1013 106 LYS HE3 H 3.03 0.02 1 1014 106 LYS C C 175.79 0.2 1 1015 106 LYS CA C 54.70 0.2 1 1016 106 LYS CB C 34.20 0.2 1 1017 106 LYS N N 119.94 0.2 1 1018 107 ALA H H 8.69 0.02 1 1019 107 ALA HA H 4.34 0.02 1 1020 107 ALA HB H 1.38 0.02 1 1021 107 ALA C C 178.29 0.2 1 1022 107 ALA CA C 54.10 0.2 1 1023 107 ALA CB C 18.20 0.2 1 1024 107 ALA N N 126.84 0.2 1 1025 108 SER H H 8.60 0.02 1 1026 108 SER HA H 4.94 0.02 1 1027 108 SER HB2 H 3.79 0.02 1 1028 108 SER HB3 H 4.01 0.02 1 1029 108 SER C C 171.09 0.2 1 1030 108 SER CA C 58.00 0.2 1 1031 108 SER CB C 67.40 0.2 1 1032 108 SER N N 119.24 0.2 1 1033 109 VAL H H 8.29 0.02 1 1034 109 VAL HA H 4.58 0.02 1 1035 109 VAL HB H 1.73 0.02 1 1036 109 VAL HG1 H 0.60 0.02 1 1037 109 VAL HG2 H 0.80 0.02 1 1038 109 VAL C C 176.79 0.2 1 1039 109 VAL CA C 62.00 0.2 1 1040 109 VAL CB C 33.90 0.2 1 1041 109 VAL N N 123.24 0.2 1 1042 110 VAL H H 9.23 0.02 1 1043 110 VAL HA H 4.04 0.02 1 1044 110 VAL HB H 0.98 0.02 1 1045 110 VAL HG1 H -0.26 0.02 1 1046 110 VAL HG2 H 0.28 0.02 1 1047 110 VAL C C 173.89 0.2 1 1048 110 VAL CA C 61.60 0.2 1 1049 110 VAL CB C 33.60 0.2 1 1050 110 VAL N N 131.24 0.2 1 1051 111 GLN H H 8.51 0.02 1 1052 111 GLN HA H 4.94 0.02 1 1053 111 GLN HB2 H 1.58 0.02 1 1054 111 GLN HB3 H 1.58 0.02 1 1055 111 GLN HG2 H 2.06 0.02 1 1056 111 GLN HG3 H 2.06 0.02 1 1057 111 GLN HE21 H 7.44 0.02 1 1058 111 GLN HE22 H 6.61 0.02 1 1059 111 GLN C C 175.29 0.2 1 1060 111 GLN CA C 54.40 0.2 1 1061 111 GLN CB C 32.00 0.2 1 1062 111 GLN N N 127.14 0.2 1 1063 111 GLN NE2 N 111.30 0.2 1 1064 112 VAL H H 8.90 0.02 1 1065 112 VAL HA H 4.87 0.02 1 1066 112 VAL HB H 1.75 0.02 1 1067 112 VAL HG1 H 0.53 0.02 1 1068 112 VAL HG2 H 0.74 0.02 1 1069 112 VAL C C 174.89 0.2 1 1070 112 VAL CA C 59.90 0.2 1 1071 112 VAL CB C 33.00 0.2 1 1072 112 VAL N N 129.54 0.2 1 1073 113 GLY H H 8.62 0.02 1 1074 113 GLY HA2 H 3.82 0.02 1 1075 113 GLY HA3 H 3.10 0.02 1 1076 113 GLY C C 172.19 0.2 1 1077 113 GLY CA C 43.80 0.2 1 1078 113 GLY N N 113.34 0.2 1 1079 114 PHE H H 7.20 0.02 1 1080 114 PHE HA H 4.84 0.02 1 1081 114 PHE HB2 H 2.74 0.02 1 1082 114 PHE HB3 H 2.82 0.02 1 1083 114 PHE HD1 H 6.45 0.02 1 1084 114 PHE HD2 H 6.45 0.02 1 1085 114 PHE HE1 H 6.74 0.02 1 1086 114 PHE HE2 H 6.74 0.02 1 1087 114 PHE HZ H 6.90 0.02 1 1088 114 PHE CA C 53.10 0.2 1 1089 114 PHE CB C 39.60 0.2 1 1090 114 PHE N N 117.34 0.2 1 1091 115 PRO HA H 4.60 0.02 1 1092 115 PRO HB2 H 1.41 0.02 2 1093 115 PRO HB3 H 1.72 0.02 2 1094 115 PRO HG2 H 1.48 0.02 2 1095 115 PRO HG3 H 1.68 0.02 2 1096 115 PRO HD2 H 2.92 0.02 2 1097 115 PRO HD3 H 3.89 0.02 2 1098 115 PRO C C 175.59 0.2 1 1099 115 PRO CA C 62.30 0.2 1 1100 115 PRO CB C 28.70 0.2 1 1101 116 CYS H H 8.18 0.02 1 1102 116 CYS HA H 4.53 0.02 1 1103 116 CYS HB2 H 2.95 0.02 1 1104 116 CYS HB3 H 3.38 0.02 1 1105 116 CYS C C 176.99 0.2 1 1106 116 CYS CA C 57.20 0.2 1 1107 116 CYS CB C 38.20 0.2 1 1108 116 CYS N N 126.74 0.2 1 1109 117 LEU H H 8.62 0.02 1 1110 117 LEU HA H 4.53 0.02 1 1111 117 LEU HB2 H 1.78 0.02 2 1112 117 LEU HB3 H 1.65 0.02 2 1113 117 LEU HG H 1.49 0.02 1 1114 117 LEU HD1 H 0.93 0.02 1 1115 117 LEU HD2 H 0.96 0.02 1 1116 117 LEU C C 178.39 0.2 1 1117 117 LEU CA C 57.00 0.2 1 1118 117 LEU CB C 42.90 0.2 1 1119 117 LEU N N 128.44 0.2 1 1120 118 GLY H H 8.52 0.02 1 1121 118 GLY HA2 H 3.90 0.02 1 1122 118 GLY HA3 H 4.19 0.02 1 1123 118 GLY C C 174.29 0.2 1 1124 118 GLY CA C 46.30 0.2 1 1125 118 GLY N N 106.54 0.2 1 1126 119 LYS H H 7.66 0.02 1 1127 119 LYS HA H 4.35 0.02 1 1128 119 LYS HB2 H 1.70 0.02 1 1129 119 LYS HB3 H 1.92 0.02 1 1130 119 LYS HG2 H 1.32 0.02 2 1131 119 LYS HG3 H 1.41 0.02 2 1132 119 LYS HD2 H 1.59 0.02 1 1133 119 LYS HD3 H 1.63 0.02 1 1134 119 LYS HE2 H 3.00 0.02 1 1135 119 LYS HE3 H 3.00 0.02 1 1136 119 LYS C C 176.19 0.2 1 1137 119 LYS CA C 56.80 0.2 1 1138 119 LYS CB C 33.60 0.2 1 1139 119 LYS N N 118.44 0.2 1 1140 120 GLN H H 7.78 0.02 1 1141 120 GLN HA H 4.48 0.02 1 1142 120 GLN HB2 H 1.77 0.02 1 1143 120 GLN HB3 H 1.88 0.02 1 1144 120 GLN HG2 H 2.08 0.02 1 1145 120 GLN HG3 H 2.16 0.02 1 1146 120 GLN HE21 H 7.25 0.02 1 1147 120 GLN HE22 H 6.80 0.02 1 1148 120 GLN C C 174.19 0.2 1 1149 120 GLN CA C 54.70 0.2 1 1150 120 GLN CB C 32.70 0.2 1 1151 120 GLN N N 115.64 0.2 1 1152 120 GLN NE2 N 111.10 0.2 1 1153 121 ASP H H 8.66 0.02 1 1154 121 ASP HA H 4.78 0.02 1 1155 121 ASP HB2 H 2.57 0.02 1 1156 121 ASP HB3 H 2.70 0.02 1 1157 121 ASP C C 176.49 0.2 1 1158 121 ASP CA C 53.60 0.2 1 1159 121 ASP CB C 42.00 0.2 1 1160 121 ASP N N 123.14 0.2 1 1161 122 GLY H H 8.36 0.02 1 1162 122 GLY HA2 H 3.95 0.02 1 1163 122 GLY HA3 H 4.18 0.02 1 1164 122 GLY C C 170.79 0.2 1 1165 122 GLY CA C 45.80 0.02 1 1166 122 GLY N N 107.74 0.2 1 1167 123 VAL H H 8.41 0.02 1 1168 123 VAL HA H 4.85 0.02 1 1169 123 VAL HB H 1.88 0.02 1 1170 123 VAL HG1 H 0.81 0.02 1 1171 123 VAL HG2 H 0.87 0.02 1 1172 123 VAL C C 175.39 0.2 1 1173 123 VAL CA C 61.20 0.2 1 1174 123 VAL CB C 33.10 0.2 1 1175 123 VAL N N 120.54 0.2 1 1176 124 ALA H H 9.38 0.02 1 1177 124 ALA HA H 4.78 0.02 1 1178 124 ALA HB H 1.46 0.02 1 1179 124 ALA C C 175.99 0.2 1 1180 124 ALA CA C 50.80 0.2 1 1181 124 ALA CB C 22.30 0.2 1 1182 124 ALA N N 130.14 0.2 1 1183 125 ALA H H 9.32 0.02 1 1184 125 ALA HA H 5.20 0.02 1 1185 125 ALA HB H 1.25 0.02 1 1186 125 ALA C C 177.49 0.2 1 1187 125 ALA CA C 50.30 0.2 1 1188 125 ALA CB C 21.20 0.2 1 1189 125 ALA N N 127.14 0.2 1 1190 126 PHE H H 9.00 0.02 1 1191 126 PHE HA H 5.27 0.02 1 1192 126 PHE HB2 H 2.88 0.02 1 1193 126 PHE HB3 H 2.99 0.02 1 1194 126 PHE HD1 H 6.90 0.02 1 1195 126 PHE HD2 H 6.90 0.02 1 1196 126 PHE HE1 H 6.75 0.02 1 1197 126 PHE HE2 H 6.75 0.02 1 1198 126 PHE HZ H 6.82 0.02 1 1199 126 PHE C C 171.09 0.2 1 1200 126 PHE CA C 56.70 0.2 1 1201 126 PHE CB C 41.90 0.2 1 1202 126 PHE N N 115.64 0.2 1 1203 127 GLU H H 9.07 0.02 1 1204 127 GLU HA H 4.90 0.02 1 1205 127 GLU HB2 H 1.87 0.02 1 1206 127 GLU HB3 H 1.93 0.02 1 1207 127 GLU HG2 H 2.13 0.02 1 1208 127 GLU HG3 H 2.13 0.02 1 1209 127 GLU C C 175.79 0.2 1 1210 127 GLU CA C 54.40 0.2 1 1211 127 GLU CB C 40.40 0.2 1 1212 127 GLU N N 118.44 0.2 1 1213 128 VAL H H 8.52 0.02 1 1214 128 VAL HA H 4.67 0.02 1 1215 128 VAL HB H 2.09 0.02 1 1216 128 VAL HG1 H 0.87 0.02 1 1217 128 VAL HG2 H 1.00 0.02 1 1218 128 VAL C C 173.59 0.2 1 1219 128 VAL CA C 61.80 0.2 1 1220 128 VAL CB C 33.50 0.2 1 1221 128 VAL N N 121.54 0.2 1 1222 129 ASP H H 9.03 0.02 1 1223 129 ASP HA H 5.06 0.02 1 1224 129 ASP HB2 H 2.48 0.02 1 1225 129 ASP HB3 H 2.75 0.02 1 1226 129 ASP C C 174.69 0.2 1 1227 129 ASP CA C 53.10 0.2 1 1228 129 ASP CB C 42.20 0.2 1 1229 129 ASP N N 126.14 0.2 1 1230 130 VAL H H 8.47 0.02 1 1231 130 VAL HA H 4.95 0.02 1 1232 130 VAL HB H 1.42 0.02 1 1233 130 VAL HG1 H 0.46 0.02 1 1234 130 VAL HG2 H 0.11 0.02 1 1235 130 VAL C C 175.89 0.2 1 1236 130 VAL CA C 59.40 0.2 1 1237 130 VAL CB C 33.40 0.2 1 1238 130 VAL N N 125.54 0.2 1 1239 131 ILE H H 8.34 0.02 1 1240 131 ILE HA H 5.05 0.02 1 1241 131 ILE HB H 1.72 0.02 1 1242 131 ILE HG12 H 1.10 0.02 1 1243 131 ILE HG13 H 1.61 0.02 1 1244 131 ILE HG2 H 0.99 0.02 1 1245 131 ILE HD1 H 0.88 0.02 1 1246 131 ILE C C 174.19 0.2 1 1247 131 ILE CA C 59.60 0.2 1 1248 131 ILE CB C 42.70 0.2 1 1249 131 ILE N N 121.34 0.2 1 1250 132 VAL H H 8.64 0.02 1 1251 132 VAL HA H 5.06 0.02 1 1252 132 VAL HB H 1.74 0.02 1 1253 132 VAL HG1 H 0.82 0.02 1 1254 132 VAL HG2 H 0.73 0.02 1 1255 132 VAL C C 175.19 0.2 1 1256 132 VAL CA C 61.30 0.2 1 1257 132 VAL CB C 34.70 0.2 1 1258 132 VAL N N 121.14 0.2 1 1259 133 MET H H 9.81 0.02 1 1260 133 MET HA H 5.53 0.02 1 1261 133 MET HB2 H 1.90 0.02 1 1262 133 MET HB3 H 2.06 0.02 1 1263 133 MET HG2 H 2.27 0.02 2 1264 133 MET HG3 H 2.42 0.02 2 1265 133 MET HE H 1.90 0.02 1 1266 133 MET C C 176.09 0.2 1 1267 133 MET CA C 54.30 0.2 1 1268 133 MET CB C 38.40 0.2 1 1269 133 MET N N 126.44 0.2 1 1270 134 ASN H H 8.32 0.02 1 1271 134 ASN HA H 5.08 0.02 1 1272 134 ASN HB2 H 3.81 0.02 1 1273 134 ASN HB3 H 2.85 0.02 1 1274 134 ASN HD21 H 8.13 0.02 1 1275 134 ASN HD22 H 7.37 0.02 1 1276 134 ASN C C 177.59 0.2 1 1277 134 ASN CA C 51.40 0.2 1 1278 134 ASN CB C 39.70 0.2 1 1279 134 ASN N N 116.84 0.2 1 1280 134 ASN ND2 N 112.60 0.2 1 1281 135 SER H H 8.94 0.02 1 1282 135 SER HA H 4.06 0.02 1 1283 135 SER HB2 H 3.92 0.02 1 1284 135 SER HB3 H 3.92 0.02 1 1285 135 SER C C 175.29 0.2 1 1286 135 SER CA C 61.70 0.2 1 1287 135 SER CB C 62.90 0.2 1 1288 135 SER N N 113.64 0.2 1 1289 136 GLU H H 7.45 0.02 1 1290 136 GLU HA H 4.30 0.02 1 1291 136 GLU HB2 H 1.89 0.02 1 1292 136 GLU HB3 H 1.89 0.02 1 1293 136 GLU HG2 H 2.19 0.02 1 1294 136 GLU HG3 H 2.19 0.02 1 1295 136 GLU C C 176.59 0.2 1 1296 136 GLU CA C 56.60 0.2 1 1297 136 GLU CB C 30.10 0.2 1 1298 136 GLU N N 119.24 0.2 1 1299 137 GLY H H 8.01 0.02 1 1300 137 GLY HA2 H 3.66 0.02 1 1301 137 GLY HA3 H 4.15 0.02 1 1302 137 GLY C C 174.09 0.2 1 1303 137 GLY CA C 45.50 0.2 1 1304 137 GLY N N 106.34 0.2 1 1305 138 ASN H H 7.90 0.02 1 1306 138 ASN HA H 4.81 0.02 1 1307 138 ASN HB2 H 2.56 0.02 1 1308 138 ASN HB3 H 2.70 0.02 1 1309 138 ASN HD21 H 7.58 0.02 1 1310 138 ASN HD22 H 6.94 0.02 1 1311 138 ASN C C 175.49 0.2 1 1312 138 ASN CA C 53.10 0.2 1 1313 138 ASN CB C 39.20 0.2 1 1314 138 ASN N N 118.44 0.2 1 1315 138 ASN ND2 N 113.00 0.2 1 1316 139 THR H H 8.88 0.02 1 1317 139 THR HA H 4.08 0.02 1 1318 139 THR HB H 4.03 0.02 1 1319 139 THR HG2 H 1.10 0.02 1 1320 139 THR C C 174.69 0.2 1 1321 139 THR CA C 65.00 0.2 1 1322 139 THR CB C 71.70 0.2 1 1323 139 THR N N 121.34 0.2 1 1324 140 ILE H H 9.21 0.02 1 1325 140 ILE HA H 4.37 0.02 1 1326 140 ILE HB H 1.86 0.02 1 1327 140 ILE HG12 H 1.33 0.02 1 1328 140 ILE HG13 H 1.37 0.02 1 1329 140 ILE HG2 H 0.89 0.02 1 1330 140 ILE HD1 H 0.78 0.02 1 1331 140 ILE C C 175.39 0.2 1 1332 140 ILE CA C 60.80 0.2 1 1333 140 ILE CB C 39.20 0.2 1 1334 140 ILE N N 125.04 0.2 1 1335 141 LEU H H 7.61 0.02 1 1336 141 LEU HA H 4.64 0.02 1 1337 141 LEU HB2 H 1.28 0.02 2 1338 141 LEU HB3 H 1.37 0.02 2 1339 141 LEU HG H 1.39 0.02 1 1340 141 LEU HD1 H 0.71 0.02 1 1341 141 LEU HD2 H 0.71 0.02 1 1342 141 LEU C C 173.99 0.2 1 1343 141 LEU CA C 54.50 0.2 1 1344 141 LEU CB C 43.10 0.2 1 1345 141 LEU N N 119.84 0.2 1 1346 142 GLN H H 7.81 0.02 1 1347 142 GLN HA H 5.32 0.02 1 1348 142 GLN HB2 H 2.12 0.02 1 1349 142 GLN HB3 H 1.81 0.02 1 1350 142 GLN HG2 H 2.39 0.02 1 1351 142 GLN HG3 H 2.56 0.02 1 1352 142 GLN HE21 H 8.13 0.02 1 1353 142 GLN HE22 H 6.51 0.02 1 1354 142 GLN C C 175.09 0.2 1 1355 142 GLN CA C 54.30 0.2 1 1356 142 GLN CB C 32.40 0.2 1 1357 142 GLN N N 119.04 0.2 1 1358 142 GLN NE2 N 111.50 0.2 1 1359 143 THR H H 8.25 0.02 1 1360 143 THR HA H 4.09 0.02 1 1361 143 THR HB H 4.40 0.02 1 1362 143 THR HG1 H 5.97 0.02 1 1363 143 THR HG2 H 1.52 0.02 1 1364 143 THR CA C 62.20 0.2 1 1365 143 THR CB C 69.90 0.2 1 1366 143 THR N N 117.44 0.2 1 1367 144 PRO HA H 4.30 0.02 1 1368 144 PRO HB2 H 1.89 0.02 1 1369 144 PRO HB3 H 2.19 0.02 1 1370 144 PRO HG2 H 1.98 0.02 1 1371 144 PRO HG3 H 1.98 0.02 1 1372 144 PRO HD2 H 3.39 0.02 1 1373 144 PRO HD3 H 3.85 0.02 1 1374 144 PRO C C 174.39 0.2 1 1375 144 PRO CA C 63.30 0.2 1 1376 144 PRO CB C 33.10 0.2 1 1377 145 GLN H H 8.35 0.02 1 1378 145 GLN HA H 3.92 0.02 1 1379 145 GLN HB2 H 1.90 0.02 1 1380 145 GLN HB3 H 1.90 0.02 1 1381 145 GLN HG2 H 2.31 0.02 2 1382 145 GLN HG3 H 2.37 0.02 2 1383 145 GLN HE21 H 7.50 0.02 1 1384 145 GLN HE22 H 6.78 0.02 1 1385 145 GLN C C 176.79 0.2 1 1386 145 GLN CA C 57.90 0.2 1 1387 145 GLN CB C 30.70 0.2 1 1388 145 GLN N N 122.44 0.2 1 1389 145 GLN NE2 N 112.20 0.2 1 1390 146 ASN H H 8.95 0.02 1 1391 146 ASN HA H 4.26 0.02 1 1392 146 ASN HB2 H 2.87 0.02 1 1393 146 ASN HB3 H 2.87 0.02 1 1394 146 ASN HD21 H 7.52 0.02 1 1395 146 ASN HD22 H 6.81 0.02 1 1396 146 ASN C C 174.09 0.2 1 1397 146 ASN CA C 54.40 0.2 1 1398 146 ASN CB C 40.60 0.2 1 1399 146 ASN N N 116.64 0.2 1 1400 146 ASN ND2 N 112.30 0.2 1 1401 147 ALA H H 7.60 0.02 1 1402 147 ALA HA H 3.93 0.02 1 1403 147 ALA HB H 1.05 0.02 1 1404 147 ALA C C 175.39 0.2 1 1405 147 ALA CA C 52.90 0.2 1 1406 147 ALA CB C 18.50 0.2 1 1407 147 ALA N N 121.74 0.2 1 1408 148 ILE H H 6.98 0.02 1 1409 148 ILE HA H 3.97 0.02 1 1410 148 ILE HB H 1.30 0.02 1 1411 148 ILE HG12 H 0.83 0.02 1 1412 148 ILE HG13 H 1.13 0.02 1 1413 148 ILE HG2 H 0.35 0.02 1 1414 148 ILE HD1 H 0.60 0.02 1 1415 148 ILE C C 173.29 0.2 1 1416 148 ILE CA C 59.60 0.2 1 1417 148 ILE CB C 40.30 0.2 1 1418 148 ILE N N 122.74 0.2 1 1419 149 PHE H H 7.82 0.02 1 1420 149 PHE HA H 4.20 0.02 1 1421 149 PHE HB2 H 0.53 0.02 1 1422 149 PHE HB3 H 2.30 0.02 1 1423 149 PHE HD1 H 6.85 0.02 1 1424 149 PHE HD2 H 6.85 0.02 1 1425 149 PHE HE1 H 7.11 0.02 1 1426 149 PHE HE2 H 7.11 0.02 1 1427 149 PHE HZ H 7.11 0.02 1 1428 149 PHE C C 172.69 0.2 1 1429 149 PHE CA C 55.80 0.2 1 1430 149 PHE CB C 41.60 0.2 1 1431 149 PHE N N 123.64 0.2 1 1432 150 PHE H H 8.48 0.02 1 1433 150 PHE HA H 5.74 0.02 1 1434 150 PHE HB2 H 2.41 0.02 1 1435 150 PHE HB3 H 2.77 0.02 1 1436 150 PHE HD1 H 6.99 0.02 1 1437 150 PHE HD2 H 6.99 0.02 1 1438 150 PHE HE1 H 7.20 0.02 1 1439 150 PHE HE2 H 7.20 0.02 1 1440 150 PHE HZ H 7.09 0.02 1 1441 150 PHE C C 175.89 0.2 1 1442 150 PHE CA C 56.80 0.2 1 1443 150 PHE CB C 43.50 0.2 1 1444 150 PHE N N 113.64 0.2 1 1445 151 LYS H H 9.75 0.02 1 1446 151 LYS HA H 4.77 0.02 1 1447 151 LYS HB2 H 1.32 0.02 1 1448 151 LYS HB3 H 2.22 0.02 1 1449 151 LYS C C 173.69 0.2 1 1450 151 LYS CA C 54.10 0.2 1 1451 151 LYS CB C 30.60 0.2 1 1452 151 LYS N N 124.64 0.2 1 1453 152 THR H H 8.89 0.02 1 1454 152 THR HA H 4.45 0.02 1 1455 152 THR HB H 3.94 0.02 1 1456 152 THR HG2 H 1.13 0.02 1 1457 152 THR C C 174.29 0.2 1 1458 152 THR CA C 64.60 0.2 1 1459 152 THR CB C 72.50 0.2 1 1460 152 THR N N 124.24 0.2 1 1461 153 CYS H H 9.31 0.02 1 1462 153 CYS HA H 5.33 0.02 1 1463 153 CYS HB2 H 2.50 0.02 1 1464 153 CYS HB3 H 3.55 0.02 1 1465 153 CYS C C 173.49 0.2 1 1466 153 CYS CA C 52.70 0.2 1 1467 153 CYS CB C 40.80 0.2 1 1468 153 CYS N N 126.84 0.2 1 1469 154 LEU H H 8.59 0.02 1 1470 154 LEU HA H 4.97 0.02 1 1471 154 LEU HB2 H 1.46 0.02 2 1472 154 LEU HB3 H 1.59 0.02 2 1473 154 LEU HG H 1.52 0.02 1 1474 154 LEU HD1 H 0.89 0.02 1 1475 154 LEU HD2 H 0.89 0.02 1 1476 154 LEU C C 177.59 0.2 1 1477 154 LEU CA C 53.80 0.2 1 1478 154 LEU CB C 46.00 0.2 1 1479 154 LEU N N 122.34 0.2 1 1480 155 GLN H H 9.14 0.02 1 1481 155 GLN HA H 3.66 0.02 1 1482 155 GLN HB2 H 1.76 0.02 1 1483 155 GLN HB3 H 1.86 0.02 1 1484 155 GLN HG2 H 2.16 0.02 2 1485 155 GLN HG3 H 2.22 0.02 2 1486 155 GLN HE21 H 7.44 0.02 1 1487 155 GLN HE22 H 6.64 0.02 1 1488 155 GLN C C 175.29 0.2 1 1489 155 GLN CA C 57.30 0.2 1 1490 155 GLN CB C 29.40 0.2 1 1491 155 GLN N N 123.54 0.2 1 1492 155 GLN NE2 N 111.20 0.2 1 1493 156 ALA H H 8.61 0.02 1 1494 156 ALA HA H 4.33 0.02 1 1495 156 ALA HB H 1.36 0.02 1 1496 156 ALA C C 176.29 0.2 1 1497 156 ALA CA C 52.70 0.2 1 1498 156 ALA CB C 20.10 0.2 1 1499 156 ALA N N 126.44 0.2 1 1500 157 GLU H H 7.91 0.02 1 1501 157 GLU HA H 4.05 0.02 1 1502 157 GLU HB2 H 1.84 0.02 1 1503 157 GLU HB3 H 1.98 0.02 1 1504 157 GLU HG2 H 2.16 0.02 1 1505 157 GLU HG3 H 2.16 0.02 1 1506 157 GLU CA C 58.40 0.2 1 1507 157 GLU CB C 31.40 0.2 1 1508 157 GLU N N 125.54 0.2 1 stop_ save_