data_6985 #Corrected using PDB structure: 2GD7A # #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 # 20 E HA 4.00 4.71 # 63 L HA 4.28 4.98 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 65 G H 8.37 5.38 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.07 -0.14 -0.30 -0.05 -0.85 0.13 # #bmr6985.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6985.str file): #HA CA CB CO N HN #N/A -0.22 -0.22 -0.05 -0.85 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.15 +/-0.19 +/-0.12 +/-0.37 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.565 0.958 0.994 0.853 0.643 0.174 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.178 0.776 0.964 0.581 1.874 0.311 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the human Hexim1 TBD. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dames Sonja A. . 2 Schoenichen Andre . . 3 Grzesiek Stephan . . 4 Geyer Matthias . . stop_ _BMRB_accession_number 6985 _BMRB_flat_file_name bmr6985.str _Entry_type new _Submission_date 2006-02-14 _Accession_date 2006-02-14 _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" 638 "13C chemical shifts" 447 "15N chemical shifts" 112 stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_title ; NMR assignment of the Cyclin T-binding domain of human Hexim1 ; _Citation_status published _Citation_type journal _PubMed_ID 16917728 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dames Sonja A. . 2 Schoenichen Andre . . 3 Grzesiek Stephan . . 4 Geyer Matthias . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year 2006 loop_ _Keyword "NMR assignment" stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "Hexim1 TBD dimer" _Abbreviation_common "Hexim1 TBD dimer" loop_ _Mol_system_component_name _Mol_label "subunit 1" $human_Hexim1_TBD "subunit 2" $human_Hexim1_TBD stop_ _System_physical_state native _System_oligomer_state "protein-protein complex" _System_paramagnetic no _System_thiol_state "all free" loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 "subunit 1" 1 "subunit 2" stop_ loop_ _Biological_function "transcritpional regulation" stop_ _Details "symmetric dimer" save_ ######################## # Monomeric polymers # ######################## save_human_Hexim1_TBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Hexim1 TBD" _Name_variant "Hexim1 TBD" _Abbreviation_common "Hexim1 TBD" _Molecular_mass 12661 _Mol_thiol_state "all free" loop_ _Biological_function "transcription regulation" stop_ ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GAMAGDGSEFLQRDFSETYE RYHTESLQNMSKQELIKEYL ELEKCLSRMEDENNRLRLES KRLGGDDARVRELELELDRL RAENLQLLTENELHRQQERA PLSKFGD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 GLY 6 ASP 7 GLY 8 SER 9 GLU 10 PHE 11 LEU 12 GLN 13 ARG 14 ASP 15 PHE 16 SER 17 GLU 18 THR 19 TYR 20 GLU 21 ARG 22 TYR 23 HIS 24 THR 25 GLU 26 SER 27 LEU 28 GLN 29 ASN 30 MET 31 SER 32 LYS 33 GLN 34 GLU 35 LEU 36 ILE 37 LYS 38 GLU 39 TYR 40 LEU 41 GLU 42 LEU 43 GLU 44 LYS 45 CYS 46 LEU 47 SER 48 ARG 49 MET 50 GLU 51 ASP 52 GLU 53 ASN 54 ASN 55 ARG 56 LEU 57 ARG 58 LEU 59 GLU 60 SER 61 LYS 62 ARG 63 LEU 64 GLY 65 GLY 66 ASP 67 ASP 68 ALA 69 ARG 70 VAL 71 ARG 72 GLU 73 LEU 74 GLU 75 LEU 76 GLU 77 LEU 78 ASP 79 ARG 80 LEU 81 ARG 82 ALA 83 GLU 84 ASN 85 LEU 86 GLN 87 LEU 88 LEU 89 THR 90 GLU 91 ASN 92 GLU 93 LEU 94 HIS 95 ARG 96 GLN 97 GLN 98 GLU 99 ARG 100 ALA 101 PRO 102 LEU 103 SER 104 LYS 105 PHE 106 GLY 107 ASP stop_ _Sequence_homology_query_date 2006-10-26 _Sequence_homology_query_revised_last_date 2006-10-05 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 DBJ BAA36166.1 "HEXIM1 protein [Homo sapiens]" 29.81 359 99 99 6e-53 GenBank AAH06460.1 "Hexamethylene bis-acetamide inducible 1[Homo sapiens]" 29.81 359 99 99 6e-53 REF XP_848322.1 "PREDICTED: similar to HMBA-inducible[Canis familiaris]" 35.31 303 98 98 2e-52 REF NP_006451.1 "HMBA-inducible [Homo sapiens]" 29.81 359 99 99 6e-53 REF XP_001115260.1 "PREDICTED: similar toHMBA-inducible [Macaca mulatta]" 29.81 359 99 99 6e-53 REF XP_511566.2 "PREDICTED: HMBA-inducible [Pantroglodytes]" 29.81 359 99 99 6e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $human_Hexim1_TBD 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 $human_Hexim1_TBD "recombinant technology" E.coli Escherichia coli BL21(DE3) Novagen stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details "pH 7.2, 95% H2O/5% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $human_Hexim1_TBD 1.2 mM ? ? "[U-90% 15N]" "potassium phosphate" 20 mM ? ? ? "sodium chloride" 50 mM ? ? ? TCEP-HCl 10 mM ? ? ? DTE 1 mM 0.1 1 ? H2O 95 % ? ? ? D2O 5 % ? ? ? stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details "pH 7.2, 95% H2O/5% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $human_Hexim1_TBD 0.6 mM ? ? "[U-95% 13C; U-90% 15N]" "potassium phosphate" 20 mM ? ? ? "sodium chloride" 50 mM ? ? ? TCEP-HCl 10 mM ? ? ? DTE 1 mM 0.1 1 ? H2O 95 % ? ? ? D2O 5 % ? ? ? stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details "pH 7.2, 100% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $human_Hexim1_TBD 0.6 mM ? ? "[U-95% 13C; U-90% 15N]" "potassium phosphate" 20 mM ? ? ? "sodium chloride" 50 mM ? ? ? TCEP-HCl 10 mM ? ? ? DTE 1 mM 0.1 1 ? D2O 100 % ? ? ? stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details "pH 7.2, 100% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $human_Hexim1_TBD 0.6 mM ? ? "[U-10% 13C]" "potassium phosphate" 20 mM ? ? ? "sodium chloride" 50 mM ? ? ? TCEP-HCl 10 mM ? ? ? DTE 1 mM 0.1 1 ? D2O 100 % ? ? ? stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details "pH 7.2, 95% H2O/5% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $human_Hexim1_TBD 1 mM ? ? "[U-95% 13C; U-90% 15N]" "potassium phosphate" 20 mM ? ? ? "sodium chloride" 50 mM ? ? ? TCEP-HCl 10 mM ? ? ? DTE 1 mM 0.1 1 ? H2O 95 % ? ? ? D2O 5 % ? ? ? stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details "pH 7.2, 95% H2O/5% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $human_Hexim1_TBD 0.6 mM ? ? "[U-95% 13C; U-90% 15N]" "potassium phosphate" 20 mM ? ? ? "sodium chloride" 50 mM ? ? ? TCEP-HCl 10 mM ? ? ? DTE 1 mM 0.1 1 ? "PF1 phage" 16 mg/ml ? ? ? H2O 95 % ? ? ? D2O 5 % ? ? ? stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name nmrPipe loop_ _Vendor _Address _Electronic_address "F. Delaglio" NIH http://spin.niddk.nih.gov/bax/software stop_ loop_ _Task "data processing" stop_ save_ save_nmrView _Saveframe_category software _Name nmrView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address "B. Johnson" "One Moon Scientific Inc." http://onemoonscientific.com/nmrview/ stop_ loop_ _Task "resonance assignment" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details "Bruker DRX 800" save_ save_600MHz_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details "Bruker DRX600" save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 0.1 pH temperature 308 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name "subunit 1" 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 2 ALA HA H 4.33 0.01 1 2 2 ALA HB H 1.37 0.01 1 3 2 ALA C C 177.67 0.15 1 4 2 ALA CA C 52.39 0.15 1 5 2 ALA CB C 19.20 0.15 1 6 3 MET H H 8.43 0.01 1 7 3 MET HA H 4.46 0.01 1 8 3 MET HB2 H 1.99 0.01 2 9 3 MET HB3 H 2.07 0.01 2 10 3 MET HG2 H 2.53 0.01 2 11 3 MET HG3 H 2.58 0.01 2 12 3 MET HE H 2.08 0.01 1 13 3 MET C C 175.80 0.15 1 14 3 MET CA C 55.12 0.15 1 15 3 MET CB C 32.90 0.15 1 16 3 MET CG C 31.83 0.15 1 17 3 MET CE C 16.81 0.15 1 18 3 MET N N 118.77 0.05 1 19 4 ALA H H 8.30 0.01 1 20 4 ALA HA H 4.33 0.01 1 21 4 ALA HB H 1.37 0.01 1 22 4 ALA C C 178.03 0.15 1 23 4 ALA CA C 52.39 0.15 1 25 4 ALA N N 124.42 0.05 1 26 5 GLY H H 8.32 0.01 1 27 5 GLY HA2 H 3.95 0.01 1 28 5 GLY HA3 H 3.95 0.01 1 29 5 GLY C C 174.03 0.15 1 30 5 GLY CA C 45.15 0.15 1 31 5 GLY N N 107.66 0.05 1 32 6 ASP H H 8.20 0.01 1 33 6 ASP HA H 4.61 0.01 1 34 6 ASP HB2 H 2.66 0.01 2 35 6 ASP HB3 H 2.76 0.01 2 36 6 ASP C C 177.04 0.15 1 37 6 ASP CA C 54.00 0.15 1 39 6 ASP N N 119.33 0.05 1 40 7 GLY H H 8.51 0.01 1 41 7 GLY HA2 H 3.91 0.01 2 42 7 GLY HA3 H 4.09 0.01 2 43 7 GLY C C 174.87 0.15 1 44 7 GLY CA C 45.45 0.15 1 45 7 GLY N N 108.96 0.05 1 46 8 SER H H 8.24 0.01 1 47 8 SER HA H 4.33 0.01 1 48 8 SER HB2 H 3.82 0.01 2 49 8 SER HB3 H 3.87 0.01 2 50 8 SER C C 174.97 0.15 1 51 8 SER CA C 59.02 0.15 1 52 8 SER CB C 63.51 0.15 1 53 8 SER N N 115.23 0.05 1 54 9 GLU H H 8.70 0.01 1 55 9 GLU HA H 4.18 0.01 1 56 9 GLU HB2 H 1.82 0.01 2 57 9 GLU HB3 H 1.88 0.01 2 58 9 GLU HG2 H 1.99 0.01 2 59 9 GLU HG3 H 2.10 0.01 2 60 9 GLU C C 176.31 0.15 1 61 9 GLU CA C 57.08 0.15 1 62 9 GLU CB C 29.57 0.15 1 63 9 GLU CG C 35.86 0.15 1 64 9 GLU N N 121.73 0.05 1 65 10 PHE H H 8.00 0.01 1 66 10 PHE HA H 4.58 0.01 1 67 10 PHE HB2 H 3.15 0.01 1 68 10 PHE HB3 H 2.97 0.01 1 69 10 PHE HD1 H 7.20 0.01 1 70 10 PHE HD2 H 7.20 0.01 1 71 10 PHE C C 175.47 0.15 1 72 10 PHE CA C 57.55 0.15 1 73 10 PHE CB C 39.13 0.15 1 74 10 PHE CD1 C 131.60 0.15 3 75 10 PHE N N 119.14 0.05 1 76 11 LEU H H 7.87 0.01 1 77 11 LEU HA H 4.27 0.01 1 78 11 LEU HB2 H 1.52 0.01 2 79 11 LEU HB3 H 1.58 0.01 2 80 11 LEU HG H 1.51 0.01 1 81 11 LEU HD1 H 0.88 0.01 1 82 11 LEU HD2 H 0.83 0.01 1 83 11 LEU C C 176.77 0.15 1 84 11 LEU CA C 54.96 0.15 1 85 11 LEU CB C 42.27 0.15 1 86 11 LEU CG C 26.64 0.15 1 87 11 LEU CD1 C 24.71 0.15 1 88 11 LEU CD2 C 23.39 0.15 1 89 11 LEU N N 122.05 0.05 1 90 12 GLN H H 8.16 0.01 1 91 12 GLN HA H 4.25 0.01 1 92 12 GLN HB2 H 1.95 0.01 1 93 12 GLN HB3 H 2.07 0.01 1 94 12 GLN HG2 H 2.31 0.01 1 95 12 GLN HG3 H 2.31 0.01 1 96 12 GLN HE21 H 7.49 0.01 2 97 12 GLN HE22 H 6.78 0.01 2 98 12 GLN C C 175.69 0.15 1 99 12 GLN CA C 55.65 0.15 1 100 12 GLN CB C 28.99 0.15 1 101 12 GLN CG C 33.60 0.15 1 102 12 GLN N N 120.15 0.05 1 103 12 GLN NE2 N 112.17 0.05 1 104 13 ARG H H 8.16 0.01 1 105 13 ARG HA H 4.21 0.01 1 106 13 ARG HB2 H 1.63 0.01 2 107 13 ARG HB3 H 1.68 0.01 2 108 13 ARG HG2 H 1.45 0.01 2 109 13 ARG HG3 H 1.49 0.01 2 110 13 ARG HD2 H 3.08 0.01 1 111 13 ARG HD3 H 3.08 0.01 1 112 13 ARG C C 175.47 0.15 1 113 13 ARG CA C 55.85 0.15 1 114 13 ARG CB C 30.83 0.15 1 115 13 ARG CG C 26.66 0.15 1 116 13 ARG CD C 43.15 0.15 1 117 13 ARG N N 121.40 0.05 1 118 14 ASP H H 8.22 0.01 1 119 14 ASP HA H 4.54 0.01 1 120 14 ASP HB2 H 2.53 0.01 2 121 14 ASP HB3 H 2.60 0.01 2 122 14 ASP C C 176.03 0.15 1 123 14 ASP CA C 53.95 0.15 1 124 14 ASP CB C 41.12 0.15 1 125 14 ASP N N 120.28 0.05 1 126 15 PHE H H 8.19 0.01 1 127 15 PHE HA H 4.58 0.01 1 128 15 PHE HB2 H 3.00 0.01 1 129 15 PHE HB3 H 3.16 0.01 1 130 15 PHE HD1 H 7.19 0.01 1 131 15 PHE HD2 H 7.19 0.01 1 132 15 PHE C C 175.87 0.15 1 133 15 PHE CA C 57.93 0.15 1 134 15 PHE CB C 39.03 0.15 1 135 15 PHE CD1 C 131.33 0.15 3 136 15 PHE N N 120.27 0.05 1 137 16 SER H H 8.25 0.01 1 138 16 SER HA H 4.34 0.01 1 139 16 SER HB2 H 3.84 0.01 2 140 16 SER HB3 H 3.90 0.01 2 141 16 SER C C 174.68 0.15 1 142 16 SER CA C 58.81 0.15 1 143 16 SER CB C 63.69 0.15 1 144 16 SER N N 116.13 0.05 1 145 17 GLU H H 8.38 0.01 1 146 17 GLU HA H 4.28 0.01 1 147 17 GLU HB2 H 1.96 0.01 1 148 17 GLU HB3 H 2.05 0.01 1 149 17 GLU HG2 H 2.22 0.01 2 150 17 GLU HG3 H 2.28 0.01 2 151 17 GLU C C 176.90 0.15 1 152 17 GLU CA C 57.13 0.15 1 153 17 GLU CB C 29.89 0.15 1 154 17 GLU CG C 36.14 0.15 1 155 17 GLU N N 121.66 0.05 1 156 18 THR H H 7.98 0.01 1 157 18 THR HA H 4.19 0.01 1 158 18 THR HB H 4.14 0.01 1 159 18 THR HG2 H 1.12 0.01 1 160 18 THR C C 174.48 0.15 1 161 18 THR CA C 62.47 0.15 1 162 18 THR CB C 69.44 0.15 1 163 18 THR CG2 C 21.49 0.15 1 164 18 THR N N 113.23 0.05 1 165 19 TYR H H 8.08 0.01 1 166 19 TYR HA H 4.42 0.01 1 167 19 TYR HB2 H 2.98 0.01 1 168 19 TYR HB3 H 2.98 0.01 1 169 19 TYR HD1 H 7.02 0.01 1 170 19 TYR HD2 H 7.02 0.01 1 171 19 TYR HE1 H 6.74 0.01 3 172 19 TYR C C 175.88 0.15 1 173 19 TYR CA C 58.75 0.15 1 174 19 TYR CB C 38.53 0.15 1 175 19 TYR CD1 C 132.99 0.15 3 176 19 TYR CE1 C 118.02 0.15 3 177 19 TYR N N 121.61 0.05 1 178 20 GLU H H 8.26 0.01 1 179 20 GLU HA H 4.08 0.01 1 180 20 GLU HB2 H 1.91 0.01 1 181 20 GLU HB3 H 1.91 0.01 1 182 20 GLU HG2 H 2.15 0.01 2 183 20 GLU HG3 H 2.20 0.01 2 184 20 GLU C C 176.73 0.15 1 185 20 GLU CA C 57.58 0.15 1 186 20 GLU CB C 29.75 0.15 1 187 20 GLU CG C 36.07 0.15 1 188 20 GLU N N 121.72 0.05 1 189 21 ARG H H 8.05 0.01 1 190 21 ARG HA H 4.15 0.01 1 191 21 ARG HB2 H 1.73 0.01 1 192 21 ARG HB3 H 1.73 0.01 1 193 21 ARG HG2 H 1.48 0.01 2 194 21 ARG HG3 H 1.54 0.01 2 195 21 ARG HD2 H 3.10 0.01 1 196 21 ARG HD3 H 3.10 0.01 1 198 21 ARG CA C 57.21 0.15 1 199 21 ARG CB C 30.34 0.15 1 200 21 ARG CG C 27.06 0.15 1 201 21 ARG CD C 43.17 0.15 1 202 21 ARG N N 120.63 0.05 1 203 22 TYR H H 8.12 0.01 1 204 22 TYR HA H 4.46 0.01 1 205 22 TYR HB2 H 2.87 0.01 2 206 22 TYR HB3 H 3.00 0.01 2 207 22 TYR HD1 H 7.10 0.01 1 208 22 TYR HD2 H 7.10 0.01 1 210 22 TYR HE1 H 6.75 0.01 3 212 22 TYR CD1 C 132.99 0.15 3 213 22 TYR CE1 C 118.02 0.15 3 215 24 THR HA H 3.85 0.01 1 216 24 THR HB H 4.21 0.01 1 217 24 THR HG2 H 1.22 0.01 1 218 24 THR C C 175.85 0.15 1 219 24 THR CA C 65.83 0.15 1 220 24 THR CB C 68.55 0.15 1 221 24 THR CG2 C 21.87 0.15 1 222 25 GLU H H 8.62 0.01 1 223 25 GLU HA H 4.04 0.01 1 224 25 GLU HB2 H 1.99 0.01 2 225 25 GLU HB3 H 2.03 0.01 2 226 25 GLU HG2 H 2.33 0.01 1 227 25 GLU HG3 H 2.33 0.01 1 228 25 GLU C C 178.20 0.15 1 229 25 GLU CA C 59.02 0.15 1 230 25 GLU CB C 29.15 0.15 1 231 25 GLU CG C 36.34 0.15 1 232 25 GLU N N 120.83 0.05 1 233 26 SER H H 7.86 0.01 1 234 26 SER HA H 4.25 0.01 1 235 26 SER HB2 H 3.86 0.01 2 236 26 SER HB3 H 3.95 0.01 2 237 26 SER C C 176.87 0.15 1 238 26 SER CA C 60.71 0.15 1 239 26 SER CB C 62.69 0.15 1 240 26 SER N N 113.45 0.05 1 241 27 LEU H H 7.63 0.01 1 242 27 LEU HA H 4.01 0.01 1 243 27 LEU HB2 H 1.75 0.01 1 244 27 LEU HB3 H 1.21 0.01 1 245 27 LEU HG H 1.50 0.01 1 246 27 LEU HD1 H 0.61 0.01 1 247 27 LEU HD2 H 0.28 0.01 1 248 27 LEU C C 178.50 0.15 1 249 27 LEU CA C 57.37 0.15 1 250 27 LEU CB C 41.75 0.15 1 251 27 LEU CG C 26.60 0.15 1 252 27 LEU CD1 C 26.36 0.15 1 253 27 LEU CD2 C 21.77 0.15 1 254 27 LEU N N 121.34 0.05 1 255 28 GLN H H 7.84 0.01 1 256 28 GLN HA H 3.85 0.01 1 257 28 GLN HB2 H 2.08 0.01 1 258 28 GLN HB3 H 2.08 0.01 1 259 28 GLN HG2 H 2.43 0.01 1 260 28 GLN HG3 H 2.43 0.01 1 261 28 GLN HE21 H 7.33 0.01 2 262 28 GLN HE22 H 6.89 0.01 2 263 28 GLN C C 177.24 0.15 1 264 28 GLN CA C 57.76 0.15 1 265 28 GLN CB C 27.86 0.15 1 266 28 GLN CG C 33.38 0.15 1 267 28 GLN N N 112.75 0.05 1 268 28 GLN NE2 N 110.81 0.05 1 269 29 ASN H H 7.45 0.01 1 270 29 ASN HA H 4.73 0.01 1 271 29 ASN HB2 H 2.69 0.01 1 272 29 ASN HB3 H 2.94 0.01 1 273 29 ASN HD21 H 7.54 0.01 2 274 29 ASN HD22 H 6.92 0.01 2 275 29 ASN C C 175.45 0.15 1 276 29 ASN CA C 53.04 0.15 1 277 29 ASN CB C 39.16 0.15 1 278 29 ASN N N 114.63 0.05 1 279 29 ASN ND2 N 112.92 0.05 1 280 30 MET H H 7.30 0.01 1 281 30 MET HA H 4.36 0.01 1 282 30 MET HB2 H 2.07 0.01 1 283 30 MET HB3 H 2.07 0.01 1 284 30 MET HG2 H 2.49 0.01 2 285 30 MET HG3 H 2.67 0.01 2 286 30 MET HE H 1.69 0.01 1 288 30 MET CA C 56.25 0.15 1 289 30 MET CB C 34.44 0.15 1 290 30 MET CG C 32.66 0.15 1 291 30 MET CE C 16.94 0.15 1 292 30 MET N N 119.92 0.05 1 293 31 SER H H 8.81 0.01 1 294 31 SER HA H 4.52 0.01 1 295 31 SER HB2 H 4.02 0.01 1 296 31 SER HB3 H 4.02 0.01 1 297 31 SER CA C 56.96 0.15 1 298 31 SER CB C 62.81 0.15 1 300 32 LYS HA H 3.81 0.01 1 301 32 LYS HB2 H 1.83 0.01 2 302 32 LYS HB3 H 1.90 0.01 2 303 32 LYS HG2 H 1.33 0.01 1 304 32 LYS HG3 H 1.33 0.01 1 305 32 LYS HD2 H 1.73 0.01 1 306 32 LYS HD3 H 1.73 0.01 1 307 32 LYS HE2 H 3.00 0.01 1 308 32 LYS HE3 H 3.00 0.01 1 309 32 LYS C C 177.38 0.15 1 310 32 LYS CA C 60.59 0.15 1 311 32 LYS CB C 31.99 0.15 1 312 32 LYS CG C 25.37 0.15 1 313 32 LYS CD C 29.33 0.15 1 314 32 LYS CE C 42.18 0.15 1 315 33 GLN H H 8.38 0.01 1 316 33 GLN HA H 3.93 0.01 1 317 33 GLN HB2 H 2.03 0.01 2 318 33 GLN HB3 H 2.07 0.01 2 319 33 GLN HG2 H 2.46 0.01 2 320 33 GLN HG3 H 2.51 0.01 2 321 33 GLN HE21 H 7.55 0.01 2 322 33 GLN HE22 H 7.07 0.01 2 323 33 GLN C C 179.01 0.15 1 324 33 GLN CA C 59.24 0.15 1 325 33 GLN CB C 27.86 0.15 1 326 33 GLN CG C 33.92 0.15 1 327 33 GLN N N 113.99 0.05 1 328 33 GLN NE2 N 112.55 0.05 1 329 34 GLU H H 7.70 0.01 1 330 34 GLU HA H 3.98 0.01 1 331 34 GLU HB2 H 2.10 0.01 2 332 34 GLU HB3 H 2.24 0.01 2 333 34 GLU HG2 H 2.33 0.01 1 334 34 GLU HG3 H 2.33 0.01 1 335 34 GLU C C 178.36 0.15 1 336 34 GLU CA C 59.15 0.15 1 337 34 GLU CB C 29.81 0.15 1 338 34 GLU CG C 37.05 0.15 1 339 34 GLU N N 119.97 0.05 1 340 35 LEU H H 8.30 0.01 1 341 35 LEU HA H 3.95 0.01 1 342 35 LEU HB2 H 1.45 0.01 2 343 35 LEU HB3 H 1.80 0.01 2 344 35 LEU HG H 1.55 0.01 1 345 35 LEU HD1 H 0.72 0.01 1 346 35 LEU HD2 H 0.71 0.01 1 347 35 LEU C C 178.72 0.15 1 348 35 LEU CA C 58.01 0.15 1 349 35 LEU CB C 42.47 0.15 1 350 35 LEU CG C 27.23 0.15 1 351 35 LEU CD1 C 25.25 0.15 1 352 35 LEU CD2 C 25.75 0.15 1 353 35 LEU N N 120.40 0.05 1 354 36 ILE H H 8.32 0.01 1 355 36 ILE HA H 3.51 0.01 1 356 36 ILE HB H 1.83 0.01 1 357 36 ILE HG12 H 1.89 0.01 2 358 36 ILE HG13 H 0.69 0.01 2 359 36 ILE HG2 H 0.89 0.01 1 360 36 ILE HD1 H 0.68 0.01 1 361 36 ILE C C 177.00 0.15 1 362 36 ILE CA C 66.47 0.15 1 363 36 ILE CB C 37.87 0.15 1 364 36 ILE CG1 C 30.86 0.15 1 365 36 ILE CG2 C 16.54 0.15 1 366 36 ILE CD1 C 13.65 0.15 1 367 36 ILE N N 118.64 0.05 1 368 37 LYS H H 7.44 0.01 1 369 37 LYS HA H 4.01 0.01 1 370 37 LYS HB2 H 2.07 0.01 1 371 37 LYS HB3 H 2.00 0.01 1 372 37 LYS HG2 H 1.45 0.01 2 373 37 LYS HG3 H 1.62 0.01 2 374 37 LYS HD2 H 1.72 0.01 1 375 37 LYS HD3 H 1.72 0.01 1 376 37 LYS HE2 H 2.98 0.01 1 377 37 LYS HE3 H 2.98 0.01 1 378 37 LYS C C 179.71 0.15 1 379 37 LYS CA C 59.98 0.15 1 380 37 LYS CB C 31.91 0.15 1 381 37 LYS CG C 24.65 0.15 1 382 37 LYS CD C 29.28 0.15 1 383 37 LYS CE C 42.17 0.15 1 384 37 LYS N N 117.75 0.05 1 385 38 GLU H H 8.29 0.01 1 386 38 GLU HA H 4.23 0.01 1 387 38 GLU HB2 H 2.32 0.01 1 388 38 GLU HB3 H 2.05 0.01 1 389 38 GLU HG2 H 2.28 0.01 1 390 38 GLU HG3 H 2.28 0.01 1 391 38 GLU C C 179.40 0.15 1 392 38 GLU CA C 58.74 0.15 1 393 38 GLU CB C 28.58 0.15 1 394 38 GLU CG C 35.81 0.15 1 395 38 GLU N N 117.38 0.05 1 396 39 TYR H H 9.24 0.01 1 397 39 TYR HA H 4.01 0.01 1 398 39 TYR HB2 H 3.53 0.01 1 399 39 TYR HB3 H 3.12 0.01 1 400 39 TYR HD1 H 6.82 0.01 1 401 39 TYR HD2 H 6.82 0.01 1 402 39 TYR HE1 H 6.73 0.01 3 403 39 TYR C C 177.14 0.15 1 404 39 TYR CA C 62.48 0.15 1 405 39 TYR CB C 38.78 0.15 1 406 39 TYR CD1 C 132.43 0.15 3 407 39 TYR CE1 C 118.02 0.15 3 408 39 TYR N N 123.33 0.05 1 409 40 LEU H H 8.62 0.01 1 410 40 LEU HA H 4.20 0.01 1 411 40 LEU HB2 H 2.10 0.01 1 412 40 LEU HB3 H 1.51 0.01 1 413 40 LEU HG H 2.07 0.01 1 414 40 LEU HD1 H 0.91 0.01 1 415 40 LEU HD2 H 1.00 0.01 1 416 40 LEU C C 180.89 0.15 1 417 40 LEU CA C 57.73 0.15 1 418 40 LEU CB C 41.54 0.15 1 419 40 LEU CG C 26.90 0.15 1 420 40 LEU CD1 C 25.95 0.15 1 421 40 LEU CD2 C 22.76 0.15 1 422 40 LEU N N 117.48 0.05 1 423 41 GLU H H 7.96 0.01 1 424 41 GLU HA H 4.15 0.01 1 425 41 GLU HB2 H 2.16 0.01 2 426 41 GLU HB3 H 2.23 0.01 2 427 41 GLU HG2 H 2.40 0.01 2 428 41 GLU HG3 H 2.48 0.01 2 429 41 GLU C C 179.49 0.15 1 430 41 GLU CA C 58.94 0.15 1 431 41 GLU CB C 29.01 0.15 1 432 41 GLU CG C 35.67 0.15 1 433 41 GLU N N 118.60 0.05 1 434 42 LEU H H 8.24 0.01 1 435 42 LEU HA H 3.99 0.01 1 436 42 LEU HB2 H 1.64 0.01 1 437 42 LEU HB3 H 1.53 0.01 1 438 42 LEU HG H 1.38 0.01 1 439 42 LEU HD1 H 0.55 0.01 1 440 42 LEU HD2 H 0.36 0.01 1 441 42 LEU C C 179.10 0.15 1 442 42 LEU CA C 57.96 0.15 1 443 42 LEU CB C 40.70 0.15 1 444 42 LEU CG C 26.62 0.15 1 445 42 LEU CD1 C 24.45 0.15 1 446 42 LEU CD2 C 24.74 0.15 1 447 42 LEU N N 122.73 0.05 1 448 43 GLU H H 8.55 0.01 1 449 43 GLU HA H 3.69 0.01 1 450 43 GLU HB2 H 2.02 0.01 2 451 43 GLU HB3 H 2.11 0.01 2 452 43 GLU HG2 H 2.06 0.01 2 453 43 GLU HG3 H 2.36 0.01 2 454 43 GLU C C 179.26 0.15 1 455 43 GLU CA C 60.36 0.15 1 456 43 GLU CB C 29.36 0.15 1 457 43 GLU CG C 37.26 0.15 1 458 43 GLU N N 119.01 0.05 1 459 44 LYS H H 7.70 0.01 1 460 44 LYS HA H 4.06 0.01 1 461 44 LYS HB2 H 2.04 0.01 1 462 44 LYS HB3 H 1.93 0.01 1 463 44 LYS HG2 H 1.44 0.01 2 464 44 LYS HG3 H 1.70 0.01 2 465 44 LYS HD2 H 1.72 0.01 1 466 44 LYS HD3 H 1.72 0.01 1 467 44 LYS HE2 H 2.93 0.01 1 468 44 LYS HE3 H 2.93 0.01 1 469 44 LYS C C 179.52 0.15 1 470 44 LYS CA C 59.37 0.15 1 471 44 LYS CB C 31.96 0.15 1 472 44 LYS CG C 24.97 0.15 1 473 44 LYS CD C 29.28 0.15 1 474 44 LYS CE C 41.88 0.15 1 475 44 LYS N N 118.74 0.05 1 476 45 CYS H H 7.90 0.01 1 477 45 CYS HA H 4.05 0.01 1 478 45 CYS HB2 H 3.20 0.01 1 479 45 CYS HB3 H 2.94 0.01 1 480 45 CYS C C 177.19 0.15 1 481 45 CYS CA C 62.69 0.15 1 482 45 CYS CB C 26.18 0.15 1 483 45 CYS N N 119.02 0.05 1 484 46 LEU H H 8.42 0.01 1 485 46 LEU HA H 3.92 0.01 1 486 46 LEU HB2 H 1.44 0.01 1 487 46 LEU HB3 H 1.86 0.01 1 488 46 LEU HG H 1.57 0.01 1 489 46 LEU HD1 H 0.80 0.01 1 490 46 LEU HD2 H 0.79 0.01 1 491 46 LEU C C 178.19 0.15 1 492 46 LEU CA C 58.29 0.15 1 493 46 LEU CB C 41.07 0.15 1 494 46 LEU CG C 27.08 0.15 1 495 46 LEU CD1 C 24.50 0.15 1 496 46 LEU CD2 C 25.63 0.15 1 497 46 LEU N N 120.84 0.05 1 498 47 SER H H 8.15 0.01 1 499 47 SER HA H 4.26 0.01 1 500 47 SER HB2 H 4.01 0.01 1 501 47 SER HB3 H 4.01 0.01 1 502 47 SER C C 177.09 0.15 1 503 47 SER CA C 61.67 0.15 1 504 47 SER CB C 62.59 0.15 1 505 47 SER N N 113.73 0.05 1 506 48 ARG H H 7.75 0.01 1 507 48 ARG HA H 4.21 0.01 1 508 48 ARG HB2 H 1.99 0.01 1 509 48 ARG HB3 H 1.99 0.01 1 510 48 ARG HG2 H 1.66 0.01 2 511 48 ARG HG3 H 1.84 0.01 2 512 48 ARG HD2 H 3.23 0.01 1 513 48 ARG HD3 H 3.23 0.01 1 514 48 ARG C C 179.45 0.15 1 515 48 ARG CA C 59.15 0.15 1 516 48 ARG CB C 29.95 0.15 1 517 48 ARG CG C 27.44 0.15 1 518 48 ARG CD C 43.43 0.15 1 519 48 ARG N N 120.15 0.05 1 520 49 MET H H 8.25 0.01 1 521 49 MET HA H 4.25 0.01 1 522 49 MET HB2 H 1.92 0.01 2 523 49 MET HB3 H 2.25 0.01 2 524 49 MET HG2 H 2.52 0.01 2 525 49 MET HG3 H 2.60 0.01 2 526 49 MET HE H 2.03 0.01 1 527 49 MET C C 178.50 0.15 1 528 49 MET CA C 57.89 0.15 1 529 49 MET CB C 32.48 0.15 1 530 49 MET CG C 32.64 0.15 1 531 49 MET CE C 17.33 0.15 1 532 49 MET N N 119.54 0.05 1 533 50 GLU H H 8.81 0.01 1 534 50 GLU HA H 4.03 0.01 1 535 50 GLU HB2 H 2.11 0.01 2 536 50 GLU HB3 H 2.20 0.01 2 537 50 GLU HG2 H 2.21 0.01 2 538 50 GLU HG3 H 2.37 0.01 2 539 50 GLU C C 178.87 0.15 1 540 50 GLU CA C 59.68 0.15 1 541 50 GLU CB C 29.46 0.15 1 542 50 GLU CG C 36.49 0.15 1 543 50 GLU N N 121.34 0.05 1 544 51 ASP H H 7.84 0.01 1 545 51 ASP HA H 4.47 0.01 1 546 51 ASP HB2 H 2.89 0.01 1 547 51 ASP HB3 H 2.77 0.01 1 548 51 ASP C C 178.93 0.15 1 549 51 ASP CA C 57.33 0.15 1 550 51 ASP CB C 40.86 0.15 1 551 51 ASP N N 119.22 0.05 1 552 52 GLU H H 8.04 0.01 1 553 52 GLU HA H 4.12 0.01 1 554 52 GLU HB2 H 2.02 0.01 2 555 52 GLU HB3 H 2.13 0.01 2 556 52 GLU HG2 H 2.20 0.01 2 557 52 GLU HG3 H 2.28 0.01 2 558 52 GLU C C 177.96 0.15 1 559 52 GLU CA C 59.14 0.15 1 560 52 GLU CB C 29.08 0.15 1 561 52 GLU CG C 35.94 0.15 1 562 52 GLU N N 119.95 0.05 1 563 53 ASN H H 8.69 0.01 1 564 53 ASN HA H 4.29 0.01 1 565 53 ASN HB2 H 2.73 0.01 1 566 53 ASN HB3 H 3.24 0.01 1 567 53 ASN HD21 H 7.82 0.01 2 568 53 ASN HD22 H 6.93 0.01 2 569 53 ASN C C 177.35 0.15 1 570 53 ASN CA C 57.08 0.15 1 571 53 ASN CB C 38.79 0.15 1 572 53 ASN N N 119.00 0.05 1 573 53 ASN ND2 N 108.11 0.05 1 574 54 ASN H H 8.29 0.01 1 575 54 ASN HA H 4.41 0.01 1 576 54 ASN HB2 H 3.00 0.01 1 577 54 ASN HB3 H 2.85 0.01 1 578 54 ASN HD21 H 7.76 0.01 2 579 54 ASN HD22 H 7.00 0.01 2 580 54 ASN C C 177.63 0.15 1 581 54 ASN CA C 56.29 0.15 1 582 54 ASN CB C 38.15 0.15 1 583 54 ASN N N 116.57 0.05 1 584 54 ASN ND2 N 113.64 0.05 1 585 55 ARG H H 7.96 0.01 1 586 55 ARG HA H 4.02 0.01 1 587 55 ARG HB2 H 1.99 0.01 1 588 55 ARG HB3 H 1.99 0.01 1 589 55 ARG HG2 H 1.56 0.01 2 590 55 ARG HG3 H 1.78 0.01 2 591 55 ARG HD2 H 3.23 0.01 1 592 55 ARG HD3 H 3.23 0.01 1 593 55 ARG C C 179.29 0.15 1 594 55 ARG CA C 59.63 0.15 1 595 55 ARG CB C 29.93 0.15 1 596 55 ARG CG C 27.73 0.15 1 597 55 ARG CD C 43.20 0.15 1 598 55 ARG N N 119.80 0.05 1 599 56 LEU H H 8.60 0.01 1 600 56 LEU HA H 4.05 0.01 1 601 56 LEU HB2 H 1.35 0.01 1 602 56 LEU HB3 H 2.02 0.01 1 603 56 LEU HG H 1.83 0.01 1 604 56 LEU HD1 H 0.91 0.01 1 605 56 LEU HD2 H 0.84 0.01 1 606 56 LEU C C 180.39 0.15 1 607 56 LEU CA C 57.64 0.15 1 608 56 LEU CB C 42.88 0.15 1 609 56 LEU CG C 27.04 0.15 1 610 56 LEU CD1 C 26.38 0.15 1 611 56 LEU CD2 C 22.92 0.15 1 612 56 LEU N N 119.11 0.05 1 613 57 ARG H H 8.48 0.01 1 614 57 ARG HA H 3.98 0.01 1 615 57 ARG HB2 H 1.98 0.01 1 616 57 ARG HB3 H 1.98 0.01 1 617 57 ARG HG2 H 1.59 0.01 2 618 57 ARG HG3 H 1.87 0.01 2 619 57 ARG HD2 H 3.23 0.01 2 620 57 ARG HD3 H 3.17 0.01 2 621 57 ARG C C 179.29 0.15 1 622 57 ARG CA C 59.71 0.15 1 623 57 ARG CB C 30.11 0.15 1 624 57 ARG CG C 28.99 0.15 1 625 57 ARG CD C 43.28 0.15 1 626 57 ARG N N 119.39 0.05 1 627 58 LEU H H 7.85 0.01 1 628 58 LEU HA H 4.14 0.01 1 629 58 LEU HB2 H 1.89 0.01 1 630 58 LEU HB3 H 1.66 0.01 1 631 58 LEU HG H 1.77 0.01 1 632 58 LEU HD1 H 0.91 0.01 1 633 58 LEU HD2 H 0.88 0.01 1 634 58 LEU C C 179.65 0.15 1 635 58 LEU CA C 57.52 0.15 1 636 58 LEU CB C 41.68 0.15 1 637 58 LEU CG C 26.74 0.15 1 638 58 LEU CD1 C 24.73 0.15 1 639 58 LEU CD2 C 23.35 0.15 1 640 58 LEU N N 119.66 0.05 1 641 59 GLU H H 8.14 0.01 1 642 59 GLU HA H 4.14 0.01 1 643 59 GLU HB2 H 2.12 0.01 1 644 59 GLU HB3 H 2.12 0.01 1 645 59 GLU HG2 H 2.31 0.01 2 646 59 GLU HG3 H 2.43 0.01 2 647 59 GLU C C 178.30 0.15 1 648 59 GLU CA C 58.23 0.15 1 649 59 GLU CB C 29.58 0.15 1 650 59 GLU CG C 36.15 0.15 1 651 59 GLU N N 118.63 0.05 1 652 60 SER H H 7.94 0.01 1 653 60 SER HA H 4.26 0.01 1 654 60 SER HB2 H 3.98 0.01 1 655 60 SER HB3 H 3.98 0.01 1 656 60 SER C C 175.70 0.15 1 657 60 SER CA C 60.38 0.15 1 658 60 SER CB C 63.08 0.15 1 659 60 SER N N 113.21 0.05 1 660 61 LYS H H 7.67 0.01 1 661 61 LYS HA H 4.27 0.01 1 662 61 LYS HB2 H 1.88 0.01 2 663 61 LYS HB3 H 1.95 0.01 2 664 61 LYS HG2 H 1.48 0.01 2 665 61 LYS HG3 H 1.57 0.01 2 666 61 LYS HD2 H 1.69 0.01 1 667 61 LYS HD3 H 1.69 0.01 1 668 61 LYS HE2 H 2.98 0.01 1 669 61 LYS HE3 H 2.98 0.01 1 670 61 LYS C C 177.40 0.15 1 671 61 LYS CA C 56.97 0.15 1 672 61 LYS CB C 32.32 0.15 1 673 61 LYS CG C 24.62 0.15 1 674 61 LYS CD C 28.83 0.15 1 675 61 LYS CE C 41.92 0.15 1 676 61 LYS N N 120.19 0.05 1 677 62 ARG H H 7.88 0.01 1 678 62 ARG HA H 4.29 0.01 1 679 62 ARG HB2 H 1.86 0.01 2 680 62 ARG HB3 H 1.94 0.01 2 681 62 ARG HG2 H 1.64 0.01 1 682 62 ARG HG3 H 1.64 0.01 1 683 62 ARG HD2 H 3.23 0.01 1 684 62 ARG HD3 H 3.23 0.01 1 685 62 ARG C C 176.87 0.15 1 686 62 ARG CA C 57.05 0.15 1 687 62 ARG CB C 30.38 0.15 1 688 62 ARG CG C 27.20 0.15 1 689 62 ARG CD C 43.26 0.15 1 690 62 ARG N N 119.25 0.05 1 691 63 LEU H H 8.09 0.01 1 692 63 LEU HA H 4.36 0.01 1 693 63 LEU HB2 H 1.75 0.01 1 694 63 LEU HB3 H 1.60 0.01 1 695 63 LEU HG H 1.71 0.01 1 696 63 LEU HD1 H 0.94 0.01 1 697 63 LEU HD2 H 0.89 0.01 1 698 63 LEU C C 178.02 0.15 1 699 63 LEU CA C 55.40 0.15 1 701 63 LEU CG C 26.73 0.15 1 702 63 LEU CD1 C 25.16 0.15 1 703 63 LEU CD2 C 23.08 0.15 1 704 63 LEU N N 120.54 0.05 1 705 64 GLY H H 8.28 0.01 1 706 64 GLY HA2 H 4.02 0.01 1 707 64 GLY HA3 H 4.02 0.01 1 708 64 GLY C C 174.83 0.15 1 709 64 GLY CA C 45.42 0.15 1 710 64 GLY N N 107.66 0.05 1 711 65 GLY H H 8.24 0.01 1 712 65 GLY HA2 H 4.00 0.01 1 713 65 GLY HA3 H 4.00 0.01 1 714 65 GLY C C 174.21 0.15 1 715 65 GLY CA C 45.39 0.15 1 716 65 GLY N N 107.78 0.05 1 717 66 ASP H H 8.36 0.01 1 718 66 ASP HA H 4.67 0.01 1 719 66 ASP HB2 H 2.65 0.01 2 720 66 ASP HB3 H 2.73 0.01 2 721 66 ASP C C 176.27 0.15 1 722 66 ASP CA C 54.41 0.15 1 723 66 ASP CB C 41.06 0.15 1 724 66 ASP N N 120.24 0.05 1 725 67 ASP H H 8.30 0.01 1 726 67 ASP HA H 4.45 0.01 1 727 67 ASP HB2 H 2.71 0.01 1 728 67 ASP HB3 H 2.71 0.01 1 729 67 ASP C C 177.49 0.15 1 730 67 ASP CA C 55.57 0.15 1 731 67 ASP CB C 40.89 0.15 1 732 67 ASP N N 120.40 0.05 1 733 68 ALA H H 8.29 0.01 1 734 68 ALA HA H 4.10 0.01 1 735 68 ALA HB H 1.48 0.01 1 736 68 ALA C C 179.60 0.15 1 737 68 ALA CA C 54.75 0.15 1 738 68 ALA CB C 18.31 0.15 1 739 68 ALA N N 123.18 0.05 1 740 69 ARG H H 8.06 0.01 1 741 69 ARG HA H 4.15 0.01 1 742 69 ARG HB2 H 1.94 0.01 1 743 69 ARG HB3 H 1.94 0.01 1 744 69 ARG HG2 H 1.71 0.01 1 745 69 ARG HG3 H 1.71 0.01 1 746 69 ARG HD2 H 3.36 0.01 2 747 69 ARG HD3 H 3.18 0.01 2 748 69 ARG C C 178.46 0.15 1 749 69 ARG CA C 58.29 0.15 1 750 69 ARG CB C 29.84 0.15 1 751 69 ARG CG C 26.88 0.15 1 752 69 ARG CD C 43.15 0.15 1 753 69 ARG N N 118.05 0.05 1 754 70 VAL H H 7.84 0.01 1 755 70 VAL HA H 3.47 0.01 1 756 70 VAL HB H 2.12 0.01 1 757 70 VAL HG1 H 0.87 0.01 1 758 70 VAL HG2 H 0.98 0.01 1 759 70 VAL C C 177.23 0.15 1 760 70 VAL CA C 66.90 0.15 1 761 70 VAL CB C 31.45 0.15 1 762 70 VAL CG1 C 21.10 0.15 1 763 70 VAL CG2 C 23.64 0.15 1 764 70 VAL N N 117.67 0.05 1 765 71 ARG H H 7.77 0.01 1 766 71 ARG HA H 4.14 0.01 1 767 71 ARG HB2 H 1.93 0.01 1 768 71 ARG HB3 H 1.93 0.01 1 769 71 ARG HG2 H 1.68 0.01 2 770 71 ARG HG3 H 1.74 0.01 2 771 71 ARG HD2 H 3.24 0.01 1 772 71 ARG HD3 H 3.24 0.01 1 773 71 ARG C C 178.88 0.15 1 774 71 ARG CA C 58.82 0.15 1 775 71 ARG CB C 29.55 0.15 1 776 71 ARG CG C 27.08 0.15 1 777 71 ARG CD C 43.04 0.15 1 778 71 ARG N N 117.24 0.05 1 779 72 GLU H H 7.88 0.01 1 780 72 GLU HA H 4.05 0.01 1 781 72 GLU HB2 H 2.15 0.01 1 782 72 GLU HB3 H 2.15 0.01 1 783 72 GLU HG2 H 2.30 0.01 2 784 72 GLU HG3 H 2.43 0.01 2 785 72 GLU C C 179.95 0.15 1 786 72 GLU CA C 59.32 0.15 1 787 72 GLU CB C 29.47 0.15 1 788 72 GLU CG C 36.11 0.15 1 789 72 GLU N N 117.17 0.05 1 790 73 LEU H H 8.11 0.01 1 791 73 LEU HA H 4.13 0.01 1 792 73 LEU HB2 H 2.15 0.01 1 793 73 LEU HB3 H 1.32 0.01 1 794 73 LEU HG H 1.86 0.01 1 795 73 LEU HD1 H 0.97 0.01 1 796 73 LEU HD2 H 0.87 0.01 1 797 73 LEU C C 178.80 0.15 1 798 73 LEU CA C 57.92 0.15 1 799 73 LEU CB C 42.76 0.15 1 800 73 LEU CG C 27.23 0.15 1 801 73 LEU CD1 C 27.32 0.15 1 802 73 LEU CD2 C 23.35 0.15 1 803 73 LEU N N 120.21 0.05 1 804 74 GLU H H 8.67 0.01 1 805 74 GLU HA H 3.91 0.01 1 806 74 GLU HB2 H 2.27 0.01 1 807 74 GLU HB3 H 1.98 0.01 1 808 74 GLU HG2 H 2.13 0.01 2 809 74 GLU HG3 H 2.62 0.01 2 810 74 GLU C C 179.76 0.15 1 811 74 GLU CA C 60.12 0.15 1 812 74 GLU CB C 29.45 0.15 1 813 74 GLU CG C 37.69 0.15 1 814 74 GLU N N 118.07 0.05 1 815 75 LEU H H 7.95 0.01 1 816 75 LEU HA H 4.19 0.01 1 817 75 LEU HB2 H 1.93 0.01 1 818 75 LEU HB3 H 1.61 0.01 1 819 75 LEU HG H 1.83 0.01 1 820 75 LEU HD1 H 0.92 0.01 1 821 75 LEU HD2 H 0.93 0.01 1 822 75 LEU C C 180.04 0.15 1 823 75 LEU CA C 57.86 0.15 1 824 75 LEU CB C 41.78 0.15 1 825 75 LEU CG C 26.79 0.15 1 826 75 LEU CD1 C 24.80 0.15 1 827 75 LEU CD2 C 23.29 0.15 1 828 75 LEU N N 118.67 0.05 1 829 76 GLU H H 7.77 0.01 1 830 76 GLU HA H 4.33 0.01 1 831 76 GLU HB2 H 2.09 0.01 2 832 76 GLU HB3 H 2.17 0.01 2 833 76 GLU HG2 H 2.35 0.01 1 834 76 GLU HG3 H 2.35 0.01 1 835 76 GLU C C 178.58 0.15 1 836 76 GLU CA C 58.57 0.15 1 837 76 GLU CB C 29.00 0.15 1 838 76 GLU CG C 35.34 0.15 1 839 76 GLU N N 121.04 0.05 1 840 77 LEU H H 8.67 0.01 1 841 77 LEU HA H 3.94 0.01 1 842 77 LEU HB2 H 1.71 0.01 2 843 77 LEU HB3 H 1.77 0.01 2 844 77 LEU HG H 1.64 0.01 1 845 77 LEU HD1 H 0.93 0.01 1 846 77 LEU HD2 H 0.89 0.01 1 847 77 LEU C C 178.64 0.15 1 848 77 LEU CA C 58.34 0.15 1 849 77 LEU CB C 41.42 0.15 1 850 77 LEU CG C 27.24 0.15 1 851 77 LEU CD1 C 25.53 0.15 1 852 77 LEU CD2 C 25.14 0.15 1 853 77 LEU N N 120.35 0.05 1 854 78 ASP H H 7.94 0.01 1 855 78 ASP HA H 4.38 0.01 1 856 78 ASP HB2 H 2.83 0.01 1 857 78 ASP HB3 H 2.68 0.01 1 858 78 ASP C C 179.42 0.15 1 859 78 ASP CA C 57.58 0.15 1 860 78 ASP CB C 40.50 0.15 1 861 78 ASP N N 117.65 0.05 1 862 79 ARG H H 7.86 0.01 1 863 79 ARG HA H 4.09 0.01 1 864 79 ARG HB2 H 2.04 0.01 1 865 79 ARG HB3 H 1.99 0.01 1 866 79 ARG HG2 H 1.55 0.01 2 867 79 ARG HG3 H 1.78 0.01 2 868 79 ARG HD2 H 3.14 0.01 1 869 79 ARG HD3 H 3.14 0.01 1 870 79 ARG C C 179.47 0.15 1 871 79 ARG CA C 59.55 0.15 1 872 79 ARG CB C 30.02 0.15 1 873 79 ARG CG C 27.36 0.15 1 874 79 ARG CD C 43.05 0.15 1 875 79 ARG N N 120.33 0.05 1 876 80 LEU H H 8.63 0.01 1 877 80 LEU HA H 4.06 0.01 1 878 80 LEU HB2 H 1.94 0.01 1 879 80 LEU HB3 H 1.40 0.01 1 880 80 LEU HG H 1.75 0.01 1 881 80 LEU HD1 H 0.94 0.01 1 882 80 LEU HD2 H 0.86 0.01 1 883 80 LEU C C 179.71 0.15 1 884 80 LEU CA C 57.60 0.15 1 885 80 LEU CB C 42.54 0.15 1 886 80 LEU CG C 27.52 0.15 1 887 80 LEU CD1 C 26.40 0.15 1 888 80 LEU CD2 C 23.98 0.15 1 889 80 LEU N N 120.31 0.05 1 890 81 ARG H H 8.92 0.01 1 891 81 ARG HA H 3.97 0.01 1 892 81 ARG HB2 H 1.87 0.01 1 893 81 ARG HB3 H 1.87 0.01 1 894 81 ARG HG2 H 1.64 0.01 2 895 81 ARG HG3 H 1.91 0.01 2 896 81 ARG HD2 H 3.19 0.01 1 897 81 ARG HD3 H 3.19 0.01 1 898 81 ARG C C 179.16 0.15 1 899 81 ARG CA C 60.12 0.15 1 900 81 ARG CB C 30.05 0.15 1 901 81 ARG CG C 28.68 0.15 1 902 81 ARG CD C 43.28 0.15 1 903 81 ARG N N 119.52 0.05 1 904 82 ALA H H 7.67 0.01 1 905 82 ALA HA H 4.20 0.01 1 906 82 ALA HB H 1.55 0.01 1 907 82 ALA C C 180.84 0.15 1 908 82 ALA CA C 55.01 0.15 1 909 82 ALA CB C 17.67 0.15 1 910 82 ALA N N 121.08 0.05 1 911 83 GLU H H 8.24 0.01 1 912 83 GLU HA H 4.05 0.01 1 913 83 GLU HB2 H 2.03 0.01 2 914 83 GLU HB3 H 2.11 0.01 2 915 83 GLU HG2 H 2.16 0.01 2 916 83 GLU HG3 H 2.40 0.01 2 917 83 GLU C C 178.33 0.15 1 918 83 GLU CA C 59.34 0.15 1 919 83 GLU CB C 29.53 0.15 1 920 83 GLU CG C 36.42 0.15 1 921 83 GLU N N 120.00 0.05 1 922 84 ASN H H 8.77 0.01 1 923 84 ASN HA H 4.28 0.01 1 924 84 ASN HB2 H 2.75 0.01 2 925 84 ASN HB3 H 3.20 0.01 2 926 84 ASN HD21 H 7.79 0.01 2 927 84 ASN HD22 H 6.68 0.01 2 928 84 ASN C C 176.93 0.15 1 929 84 ASN CA C 56.89 0.15 1 930 84 ASN CB C 38.69 0.15 1 931 84 ASN N N 118.66 0.05 1 932 84 ASN ND2 N 106.34 0.05 1 933 85 LEU H H 7.86 0.01 1 934 85 LEU HA H 4.17 0.01 1 935 85 LEU HB2 H 1.79 0.01 1 936 85 LEU HB3 H 1.79 0.01 1 937 85 LEU HG H 1.71 0.01 1 938 85 LEU HD1 H 0.92 0.01 1 939 85 LEU HD2 H 0.93 0.01 1 940 85 LEU C C 180.07 0.15 1 941 85 LEU CA C 57.96 0.15 1 942 85 LEU CB C 41.42 0.15 1 943 85 LEU CG C 26.74 0.15 1 944 85 LEU CD1 C 24.32 0.15 1 945 85 LEU CD2 C 23.65 0.15 1 946 85 LEU N N 118.40 0.05 1 947 86 GLN H H 7.75 0.01 1 948 86 GLN HA H 4.05 0.01 1 949 86 GLN HB2 H 2.25 0.01 1 950 86 GLN HB3 H 2.25 0.01 1 951 86 GLN HG2 H 2.42 0.01 2 952 86 GLN HG3 H 2.48 0.01 2 953 86 GLN HE21 H 7.60 0.01 2 954 86 GLN HE22 H 6.77 0.01 2 955 86 GLN C C 178.85 0.15 1 956 86 GLN CA C 59.05 0.15 1 957 86 GLN CB C 27.84 0.15 1 958 86 GLN CG C 33.27 0.15 1 959 86 GLN N N 120.15 0.05 1 960 86 GLN NE2 N 111.90 0.05 1 961 87 LEU H H 8.48 0.01 1 962 87 LEU HA H 4.00 0.01 1 963 87 LEU HB2 H 2.06 0.01 1 964 87 LEU HB3 H 1.25 0.01 1 965 87 LEU HG H 1.88 0.01 1 966 87 LEU HD1 H 0.94 0.01 1 967 87 LEU HD2 H 0.84 0.01 1 968 87 LEU C C 179.53 0.15 1 969 87 LEU CA C 57.69 0.15 1 970 87 LEU CB C 43.67 0.15 1 971 87 LEU CG C 26.78 0.15 1 972 87 LEU CD1 C 26.42 0.15 1 973 87 LEU CD2 C 22.92 0.15 1 974 87 LEU N N 119.77 0.05 1 975 88 LEU H H 8.82 0.01 1 976 88 LEU HA H 4.03 0.01 1 977 88 LEU HB2 H 1.81 0.01 1 978 88 LEU HB3 H 1.75 0.01 1 979 88 LEU HG H 1.70 0.01 1 980 88 LEU HD1 H 0.93 0.01 1 981 88 LEU HD2 H 0.92 0.01 1 982 88 LEU C C 179.19 0.15 1 983 88 LEU CA C 58.24 0.15 1 984 88 LEU CB C 42.21 0.15 1 985 88 LEU CG C 26.61 0.15 1 986 88 LEU CD1 C 25.01 0.15 1 987 88 LEU CD2 C 24.51 0.15 1 988 88 LEU N N 120.42 0.05 1 989 89 THR H H 8.07 0.01 1 990 89 THR HA H 3.93 0.01 1 991 89 THR HB H 4.34 0.01 1 992 89 THR HG2 H 1.25 0.01 1 993 89 THR C C 176.56 0.15 1 994 89 THR CA C 66.40 0.15 1 995 89 THR CB C 68.82 0.15 1 996 89 THR CG2 C 20.86 0.15 1 997 89 THR N N 114.80 0.05 1 998 90 GLU H H 7.89 0.01 1 999 90 GLU HA H 3.93 0.01 1 1000 90 GLU HB2 H 1.98 0.01 2 1001 90 GLU HB3 H 2.11 0.01 2 1002 90 GLU HG2 H 2.14 0.01 2 1003 90 GLU HG3 H 2.39 0.01 2 1004 90 GLU C C 178.00 0.15 1 1005 90 GLU CA C 59.13 0.15 1 1006 90 GLU CB C 29.50 0.15 1 1007 90 GLU CG C 36.08 0.15 1 1008 90 GLU N N 120.67 0.05 1 1009 91 ASN H H 8.56 0.01 1 1010 91 ASN HA H 4.43 0.01 1 1011 91 ASN HB2 H 2.91 0.01 2 1012 91 ASN HB3 H 3.13 0.01 2 1013 91 ASN HD21 H 7.36 0.01 2 1014 91 ASN HD22 H 7.16 0.01 2 1015 91 ASN C C 177.51 0.15 1 1016 91 ASN CA C 56.65 0.15 1 1017 91 ASN CB C 39.09 0.15 1 1018 91 ASN N N 118.36 0.05 1 1019 91 ASN ND2 N 108.49 0.05 1 1020 92 GLU H H 8.36 0.01 1 1021 92 GLU HA H 3.99 0.01 1 1022 92 GLU HB2 H 2.16 0.01 1 1023 92 GLU HB3 H 2.04 0.01 1 1024 92 GLU HG2 H 2.27 0.01 2 1025 92 GLU HG3 H 2.39 0.01 2 1026 92 GLU C C 178.68 0.15 1 1027 92 GLU CA C 59.00 0.15 1 1028 92 GLU CB C 29.27 0.15 1 1029 92 GLU CG C 36.19 0.15 1 1030 92 GLU N N 118.33 0.05 1 1031 93 LEU H H 7.57 0.01 1 1032 93 LEU HA H 4.07 0.01 1 1033 93 LEU HB2 H 1.70 0.01 1 1034 93 LEU HB3 H 1.50 0.01 1 1035 93 LEU HG H 1.64 0.01 1 1036 93 LEU HD1 H 0.84 0.01 1 1037 93 LEU HD2 H 0.79 0.01 1 1038 93 LEU C C 179.62 0.15 1 1039 93 LEU CA C 57.43 0.15 1 1040 93 LEU CB C 41.23 0.15 1 1041 93 LEU CG C 26.55 0.15 1 1042 93 LEU CD1 C 24.50 0.15 1 1043 93 LEU CD2 C 23.38 0.15 1 1044 93 LEU N N 119.22 0.05 1 1045 94 HIS H H 7.80 0.01 1 1046 94 HIS HA H 4.41 0.01 1 1047 94 HIS HB2 H 2.58 0.01 2 1048 94 HIS HB3 H 2.78 0.01 2 1049 94 HIS C C 177.52 0.15 1 1050 94 HIS CA C 57.87 0.15 1 1051 94 HIS CB C 29.25 0.15 1 1052 94 HIS N N 116.36 0.05 1 1053 95 ARG H H 7.91 0.01 1 1054 95 ARG HA H 4.11 0.01 1 1055 95 ARG HB2 H 1.87 0.01 1 1056 95 ARG HB3 H 1.87 0.01 1 1057 95 ARG HG2 H 1.64 0.01 1 1058 95 ARG HG3 H 1.64 0.01 1 1059 95 ARG HD2 H 3.16 0.01 1 1060 95 ARG HD3 H 3.16 0.01 1 1061 95 ARG C C 177.80 0.15 1 1062 95 ARG CA C 58.11 0.15 1 1063 95 ARG CB C 30.41 0.15 1 1064 95 ARG CG C 27.52 0.15 1 1065 95 ARG CD C 43.49 0.15 1 1066 95 ARG N N 118.02 0.05 1 1067 96 GLN H H 7.94 0.01 1 1068 96 GLN HA H 4.19 0.01 1 1069 96 GLN HB2 H 2.11 0.01 2 1070 96 GLN HB3 H 2.17 0.01 2 1071 96 GLN HG2 H 2.43 0.01 2 1072 96 GLN HG3 H 2.50 0.01 2 1073 96 GLN HE21 H 7.50 0.01 2 1074 96 GLN HE22 H 6.76 0.01 2 1075 96 GLN C C 176.93 0.15 1 1076 96 GLN CA C 56.84 0.15 1 1077 96 GLN CB C 28.64 0.15 1 1078 96 GLN CG C 33.66 0.15 1 1079 96 GLN N N 117.56 0.05 1 1080 96 GLN NE2 N 111.69 0.05 1 1081 97 GLN H H 7.92 0.01 1 1082 97 GLN HA H 4.25 0.01 1 1083 97 GLN HB2 H 2.06 0.01 2 1084 97 GLN HB3 H 2.15 0.01 2 1085 97 GLN HG2 H 2.43 0.01 1 1086 97 GLN HG3 H 2.43 0.01 1 1087 97 GLN HE21 H 7.46 0.01 2 1088 97 GLN HE22 H 6.84 0.01 2 1089 97 GLN C C 176.40 0.15 1 1090 97 GLN CA C 56.35 0.15 1 1091 97 GLN CB C 28.98 0.15 1 1092 97 GLN CG C 33.69 0.15 1 1093 97 GLN N N 118.14 0.05 1 1094 97 GLN NE2 N 111.98 0.05 1 1095 98 GLU H H 8.09 0.01 1 1096 98 GLU HA H 4.23 0.01 1 1097 98 GLU HB2 H 2.06 0.01 1 1098 98 GLU HB3 H 2.06 0.01 1 1099 98 GLU HG2 H 2.26 0.01 1 1100 98 GLU HG3 H 2.26 0.01 1 1101 98 GLU C C 176.43 0.15 1 1102 98 GLU CA C 56.78 0.15 1 1103 98 GLU CB C 29.92 0.15 1 1104 98 GLU CG C 36.15 0.15 1 1105 98 GLU N N 119.77 0.05 1 1106 99 ARG H H 8.06 0.01 1 1107 99 ARG HA H 4.33 0.01 1 1108 99 ARG HB2 H 1.76 0.01 2 1109 99 ARG HB3 H 1.86 0.01 2 1110 99 ARG HG2 H 1.66 0.01 1 1111 99 ARG HG3 H 1.66 0.01 1 1112 99 ARG HD2 H 3.19 0.01 1 1113 99 ARG HD3 H 3.19 0.01 1 1115 99 ARG CA C 55.65 0.15 1 1116 99 ARG CB C 30.68 0.15 1 1117 99 ARG CG C 26.89 0.15 1 1118 99 ARG CD C 43.22 0.15 1 1119 99 ARG N N 120.02 0.05 1 1120 100 ALA H H 8.16 0.01 1 1121 100 ALA HA H 4.58 0.01 1 1122 100 ALA HB H 1.36 0.01 1 1123 100 ALA CA C 50.57 0.15 1 1124 100 ALA CB C 17.91 0.15 1 1126 101 PRO HA H 4.43 0.01 1 1127 101 PRO HB2 H 1.90 0.01 2 1128 101 PRO HB3 H 2.28 0.01 2 1129 101 PRO HG2 H 2.01 0.01 1 1130 101 PRO HG3 H 2.01 0.01 1 1131 101 PRO HD2 H 3.77 0.01 2 1132 101 PRO HD3 H 3.62 0.01 2 1133 101 PRO C C 176.94 0.15 1 1134 101 PRO CA C 62.93 0.15 1 1135 101 PRO CB C 31.73 0.15 1 1136 101 PRO CG C 27.18 0.15 1 1137 101 PRO CD C 50.22 0.15 1 1138 102 LEU H H 8.25 0.01 1 1139 102 LEU HA H 4.31 0.01 1 1140 102 LEU HB2 H 1.59 0.01 2 1141 102 LEU HB3 H 1.64 0.01 2 1142 102 LEU HG H 1.65 0.01 1 1143 102 LEU HD1 H 0.92 0.01 1 1144 102 LEU HD2 H 0.87 0.01 1 1145 102 LEU C C 177.48 0.15 1 1146 102 LEU CA C 55.10 0.15 1 1147 102 LEU CB C 42.09 0.15 1 1148 102 LEU CG C 26.80 0.15 1 1149 102 LEU CD1 C 24.70 0.15 2 1150 102 LEU CD2 C 23.40 0.15 2 1151 102 LEU N N 120.80 0.05 1 1152 103 SER H H 8.17 0.01 1 1153 103 SER HA H 4.40 0.01 1 1154 103 SER HB2 H 3.79 0.01 2 1155 103 SER HB3 H 3.83 0.01 2 1156 103 SER C C 174.21 0.15 1 1157 103 SER CA C 57.91 0.15 1 1158 103 SER CB C 63.74 0.15 1 1159 103 SER N N 115.43 0.05 1 1160 104 LYS H H 8.18 0.01 1 1161 104 LYS HA H 4.26 0.01 1 1162 104 LYS HB2 H 1.61 0.01 2 1163 104 LYS HB3 H 1.68 0.01 2 1164 104 LYS HG2 H 1.25 0.01 1 1165 104 LYS HG3 H 1.25 0.01 1 1166 104 LYS HD2 H 1.60 0.01 1 1167 104 LYS HD3 H 1.60 0.01 1 1168 104 LYS HE2 H 2.93 0.01 1 1169 104 LYS HE3 H 2.93 0.01 1 1170 104 LYS C C 175.98 0.15 1 1171 104 LYS CA C 56.08 0.15 1 1172 104 LYS CB C 32.88 0.15 1 1173 104 LYS CG C 24.20 0.15 1 1174 104 LYS CD C 28.82 0.15 1 1175 104 LYS CE C 41.92 0.15 1 1176 104 LYS N N 122.14 0.05 1 1177 105 PHE H H 8.23 0.01 1 1178 105 PHE HA H 4.64 0.01 1 1179 105 PHE HB2 H 2.98 0.01 2 1180 105 PHE HB3 H 3.19 0.01 2 1181 105 PHE C C 175.98 0.15 1 1182 105 PHE CA C 57.53 0.15 1 1184 105 PHE N N 120.27 0.05 1 1185 106 GLY H H 8.15 0.01 1 1186 106 GLY HA2 H 3.83 0.01 2 1187 106 GLY HA3 H 3.97 0.01 2 1189 106 GLY CA C 45.03 0.15 1 1190 106 GLY N N 110.33 0.05 1 1191 107 ASP H H 7.83 0.01 1 1192 107 ASP HA H 4.41 0.01 1 1193 107 ASP HB2 H 2.53 0.01 2 1194 107 ASP HB3 H 2.67 0.01 2 stop_ save_