data_7086 #Corrected using PDB structure: 2FCLA # #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 # 37 V HA 4.19 2.66 # 38 P HA 3.98 4.78 # 76 I HA 5.66 4.66 # 80 F HA 5.92 5.20 # 90 V HA 5.24 4.19 #119 E HA 5.37 4.65 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 5 E H 10.49 8.22 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.02 0.04 -0.09 0.07 -0.16 -0.09 # #bmr7086.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr7086.str file): #HA CA CB CO N HN #N/A -0.02 -0.02 +0.07 -0.16 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.02 +/-0.16 +/-0.15 +/-0.13 +/-0.29 +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.821 0.955 0.994 0.846 0.852 0.508 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.126 0.946 0.849 0.735 1.656 0.372 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of hypothetical protein tm1012 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Bin . . 2 Yee Adelina . . 3 Lukin Jonathan . . 4 Lemak Alexander . . 5 Ramelot Theresa . . 6 Semesi Anthony . . 7 Kennedy Michael . . 8 Arrowsmith Cheryl H. . stop_ _BMRB_accession_number 7086 _BMRB_flat_file_name 7086.str _Entry_type new _Submission_date 2006-04-24 _Accession_date 2006-04-24 _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' 921 '15N chemical shifts' 147 '13C chemical shifts' 663 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Assignment of hypothetical protein tm1012 from Thermotoga maritima/ Northeast Structural Genomics Consortium Target VT128/ Ontario Center for Structural Proteomics Target tm1012 ; _Citation_status published _Citation_type "BMRB only" _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Bin . . 2 Yee Adelina . . 3 Lukin Jonathan . . 4 Lemak Alexander . . 5 Ramelot Theresa . . 6 Semesi Anthony . . 7 Kennedy Michael . . 8 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation ? _Journal_volume ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "hypothetical protein tm1012" stop_ save_ ################################## # Molecular system description # ################################## save_system_tm1012 _Saveframe_category molecular_system _Mol_system_name "hypothetical protein tm1012" _Abbreviation_common tm1012 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "tm1012" $tm1012 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function "hypothetical protein" stop_ save_ ######################## # Monomeric polymers # ######################## save_tm1012 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "hypothetical protein tm1012" _Name_variant . _Abbreviation_common tm1012 _Molecular_mass 18630 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; MIRPEYLRVLRKIYDRLKNE KVNWVVTGSLSFALQGVPVE VHDIDIQTDEEGAYEIERIF SEFVSKKVRFSSTEKICSHF GELIIDGIKVEIMGDIRKRL EDGTWEDPVDLNKYKRFVET HGMKIPVLSLEYEYQAYLKL GRVEKAETLRKWLNERKG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 ARG 4 PRO 5 GLU 6 TYR 7 LEU 8 ARG 9 VAL 10 LEU 11 ARG 12 LYS 13 ILE 14 TYR 15 ASP 16 ARG 17 LEU 18 LYS 19 ASN 20 GLU 21 LYS 22 VAL 23 ASN 24 TRP 25 VAL 26 VAL 27 THR 28 GLY 29 SER 30 LEU 31 SER 32 PHE 33 ALA 34 LEU 35 GLN 36 GLY 37 VAL 38 PRO 39 VAL 40 GLU 41 VAL 42 HIS 43 ASP 44 ILE 45 ASP 46 ILE 47 GLN 48 THR 49 ASP 50 GLU 51 GLU 52 GLY 53 ALA 54 TYR 55 GLU 56 ILE 57 GLU 58 ARG 59 ILE 60 PHE 61 SER 62 GLU 63 PHE 64 VAL 65 SER 66 LYS 67 LYS 68 VAL 69 ARG 70 PHE 71 SER 72 SER 73 THR 74 GLU 75 LYS 76 ILE 77 CYS 78 SER 79 HIS 80 PHE 81 GLY 82 GLU 83 LEU 84 ILE 85 ILE 86 ASP 87 GLY 88 ILE 89 LYS 90 VAL 91 GLU 92 ILE 93 MET 94 GLY 95 ASP 96 ILE 97 ARG 98 LYS 99 ARG 100 LEU 101 GLU 102 ASP 103 GLY 104 THR 105 TRP 106 GLU 107 ASP 108 PRO 109 VAL 110 ASP 111 LEU 112 ASN 113 LYS 114 TYR 115 LYS 116 ARG 117 PHE 118 VAL 119 GLU 120 THR 121 HIS 122 GLY 123 MET 124 LYS 125 ILE 126 PRO 127 VAL 128 LEU 129 SER 130 LEU 131 GLU 132 TYR 133 GLU 134 TYR 135 GLN 136 ALA 137 TYR 138 LEU 139 LYS 140 LEU 141 GLY 142 ARG 143 VAL 144 GLU 145 LYS 146 ALA 147 GLU 148 THR 149 LEU 150 ARG 151 LYS 152 TRP 153 LEU 154 ASN 155 GLU 156 ARG 157 LYS 158 GLY stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $tm1012 "Thermotoga maritima" 2303 Bacteria . thermotoga maritima stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $tm1012 'recombinant technology' "E. coli" Escherichia coli "BL21 (DE3)" plasmid PET15B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $tm1012 1 mM "[U-13C; U-15N]" NaCl 500 mM . Tris 10 mM . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.95 loop_ _Task "spectral analysis" "assignemt" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 save_ save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 15N HSQC HNCO CBCAcoNH HNCACB HNCA HNcoCA HBHAcoNH CCTOCSY NH HCCTOCSY NH 13C HSQC HCCHTOCSY HCCHCOSY CCHTOCSY 15N NOESY 13C NOESY ; save_ ####################### # Sample conditions # ####################### save_cond_set1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.7 0.2 pH temperature 298 1 K 'ionic strength' 0.50 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. Tyr HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons or Trp HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_set1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "tm1012" 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 4 PRO CD C 50.88 0.3 1 2 4 PRO CA C 65.38 0.3 1 3 4 PRO HA H 4.15 0.03 1 4 4 PRO CB C 32.18 0.3 1 5 4 PRO HB2 H 2.44 0.03 2 6 4 PRO HB3 H 1.99 0.03 2 7 4 PRO CG C 28.08 0.3 1 8 4 PRO HG2 H 2.19 0.03 2 9 4 PRO HG3 H 2.14 0.03 2 10 4 PRO HD2 H 3.90 0.03 2 11 4 PRO HD3 H 3.83 0.03 2 12 4 PRO C C 178.87 0.3 1 13 5 GLU N N 118.44 0.3 1 14 5 GLU H H 10.58 0.03 1 15 5 GLU CA C 59.38 0.3 1 16 5 GLU HA H 3.96 0.03 1 17 5 GLU CB C 28.08 0.3 1 18 5 GLU HB2 H 1.95 0.03 2 19 5 GLU HB3 H 1.76 0.03 2 20 5 GLU CG C 35.98 0.3 1 21 5 GLU HG2 H 2.13 0.03 2 22 5 GLU HG3 H 2.03 0.03 2 23 5 GLU C C 178.87 0.3 1 24 6 TYR N N 117.54 0.3 1 25 6 TYR H H 7.47 0.03 1 26 6 TYR CA C 61.78 0.3 1 27 6 TYR HA H 3.90 0.03 1 28 6 TYR CB C 38.28 0.3 1 29 6 TYR HB2 H 2.94 0.03 2 30 6 TYR HB3 H 2.68 0.03 2 31 6 TYR HD1 H 6.90 0.03 1 32 6 TYR HD2 H 6.90 0.03 1 33 6 TYR HE1 H 6.66 0.03 1 34 6 TYR HE2 H 6.66 0.03 1 35 6 TYR CD1 C 131.68 0.3 1 36 6 TYR C C 177.77 0.3 1 37 7 LEU N N 119.34 0.3 1 38 7 LEU H H 7.07 0.03 1 39 7 LEU CA C 56.98 0.3 1 40 7 LEU HA H 4.00 0.03 1 41 7 LEU CB C 41.08 0.3 1 42 7 LEU HB2 H 1.70 0.03 2 43 7 LEU HB3 H 1.32 0.03 2 44 7 LEU CG C 27.18 0.3 1 45 7 LEU HG H 1.41 0.03 1 46 7 LEU HD1 H 0.54 0.03 2 47 7 LEU HD2 H 0.52 0.03 2 48 7 LEU CD1 C 24.88 0.3 1 49 7 LEU CD2 C 22.98 0.3 1 50 7 LEU C C 179.27 0.3 1 51 8 ARG N N 119.14 0.3 1 52 8 ARG H H 8.15 0.03 1 53 8 ARG CA C 59.78 0.3 1 54 8 ARG HA H 4.04 0.03 1 55 8 ARG CB C 30.58 0.3 1 56 8 ARG HB2 H 1.90 0.03 2 57 8 ARG HB3 H 1.83 0.03 2 58 8 ARG CG C 28.38 0.3 1 59 8 ARG HG2 H 1.78 0.03 2 60 8 ARG HG3 H 1.57 0.03 2 61 8 ARG CD C 43.68 0.3 1 62 8 ARG HD2 H 3.29 0.03 2 63 8 ARG HD3 H 3.17 0.03 2 64 8 ARG C C 179.67 0.3 1 65 9 VAL N N 120.04 0.3 1 66 9 VAL H H 7.32 0.03 1 67 9 VAL CA C 66.88 0.3 1 68 9 VAL HA H 3.46 0.03 1 69 9 VAL CB C 31.58 0.3 1 70 9 VAL HB H 1.81 0.03 1 71 9 VAL HG1 H 0.97 0.03 2 72 9 VAL HG2 H 0.64 0.03 2 73 9 VAL CG1 C 24.88 0.3 1 74 9 VAL CG2 C 22.38 0.3 1 75 9 VAL C C 177.27 0.3 1 76 10 LEU N N 119.94 0.3 1 77 10 LEU H H 8.28 0.03 1 78 10 LEU CA C 57.88 0.3 1 79 10 LEU HA H 4.01 0.03 1 80 10 LEU CB C 41.98 0.3 1 81 10 LEU HB2 H 2.01 0.03 2 82 10 LEU HB3 H 1.56 0.03 2 83 10 LEU CG C 27.28 0.3 1 84 10 LEU HG H 1.77 0.03 1 85 10 LEU HD1 H 0.96 0.03 2 86 10 LEU HD2 H 1.08 0.03 2 87 10 LEU CD1 C 26.78 0.3 1 88 10 LEU CD2 C 22.78 0.3 1 89 10 LEU C C 177.67 0.3 1 90 11 ARG N N 117.94 0.3 1 91 11 ARG H H 8.09 0.03 1 92 11 ARG CA C 58.78 0.3 1 93 11 ARG HA H 4.49 0.03 1 94 11 ARG CB C 29.28 0.3 1 95 11 ARG HB2 H 2.05 0.03 1 96 11 ARG HB3 H 2.05 0.03 1 97 11 ARG CG C 27.18 0.3 1 98 11 ARG HG2 H 1.85 0.03 1 99 11 ARG HG3 H 1.85 0.03 1 100 11 ARG CD C 43.18 0.3 1 101 11 ARG HD2 H 3.45 0.03 2 102 11 ARG HD3 H 3.39 0.03 2 103 11 ARG C C 177.57 0.3 1 104 12 LYS N N 119.24 0.3 1 105 12 LYS H H 7.51 0.03 1 106 12 LYS CA C 59.68 0.3 1 107 12 LYS HA H 4.22 0.03 1 108 12 LYS CB C 32.38 0.3 1 109 12 LYS HB2 H 2.02 0.03 2 110 12 LYS HB3 H 1.82 0.03 2 111 12 LYS CG C 26.58 0.3 1 112 12 LYS HG2 H 1.79 0.03 2 113 12 LYS HG3 H 1.41 0.03 2 114 12 LYS CE C 41.78 0.3 1 115 12 LYS HE2 H 2.91 0.03 1 116 12 LYS HE3 H 2.91 0.03 1 117 12 LYS C C 179.97 0.3 1 118 13 ILE N N 118.74 0.3 1 119 13 ILE H H 7.96 0.03 1 120 13 ILE CA C 63.58 0.3 1 121 13 ILE HA H 3.92 0.03 1 122 13 ILE CB C 38.88 0.3 1 123 13 ILE HB H 1.87 0.03 1 124 13 ILE HG2 H 0.25 0.03 1 125 13 ILE CG2 C 16.88 0.3 1 126 13 ILE CG1 C 28.18 0.3 1 127 13 ILE HG12 H 1.51 0.03 2 128 13 ILE HG13 H 0.11 0.03 2 129 13 ILE HD1 H 0.45 0.03 1 130 13 ILE CD1 C 14.68 0.3 1 131 13 ILE C C 177.37 0.3 1 132 14 TYR N N 120.74 0.3 1 133 14 TYR H H 9.29 0.03 1 134 14 TYR CA C 61.68 0.3 1 135 14 TYR HA H 4.10 0.03 1 136 14 TYR CB C 40.28 0.3 1 137 14 TYR HB2 H 3.38 0.03 2 138 14 TYR HB3 H 3.21 0.03 2 139 14 TYR HD1 H 7.36 0.03 1 140 14 TYR HD2 H 7.36 0.03 1 141 14 TYR CD1 C 133.88 0.3 1 142 14 TYR C C 177.97 0.3 1 143 15 ASP N N 117.34 0.3 1 144 15 ASP H H 9.29 0.03 1 145 15 ASP CA C 57.28 0.3 1 146 15 ASP HA H 4.37 0.03 1 147 15 ASP CB C 40.28 0.3 1 148 15 ASP HB2 H 2.91 0.03 2 149 15 ASP HB3 H 2.66 0.03 2 150 15 ASP C C 179.27 0.3 1 151 16 ARG N N 115.34 0.3 1 152 16 ARG H H 7.34 0.03 1 153 16 ARG CA C 57.88 0.3 1 154 16 ARG HA H 4.30 0.03 1 155 16 ARG CB C 30.48 0.3 1 156 16 ARG HB2 H 1.80 0.03 2 157 16 ARG HB3 H 1.42 0.03 2 158 16 ARG CG C 27.68 0.3 1 159 16 ARG HG2 H 1.77 0.03 2 160 16 ARG HG3 H 1.47 0.03 2 161 16 ARG CD C 42.88 0.3 1 162 16 ARG HD2 H 2.76 0.03 2 163 16 ARG HD3 H 2.32 0.03 2 164 16 ARG C C 178.07 0.3 1 165 17 LEU N N 116.04 0.3 1 166 17 LEU H H 7.75 0.03 1 167 17 LEU CA C 55.68 0.3 1 168 17 LEU HA H 4.21 0.03 1 169 17 LEU CB C 41.48 0.3 1 170 17 LEU HB2 H 1.39 0.03 2 171 17 LEU HB3 H 1.24 0.03 2 172 17 LEU CG C 26.38 0.3 1 173 17 LEU HG H 1.53 0.03 1 174 17 LEU HD1 H 0.57 0.03 2 175 17 LEU HD2 H -0.69 0.03 2 176 17 LEU CD1 C 24.28 0.3 1 177 17 LEU CD2 C 22.98 0.3 1 180 18 LYS H H 8.21 0.03 1 181 18 LYS CA C 59.38 0.3 1 182 18 LYS HA H 4.16 0.03 1 183 18 LYS CB C 31.28 0.3 1 184 18 LYS HB2 H 1.74 0.03 2 185 18 LYS HB3 H 1.34 0.03 2 186 18 LYS CG C 24.18 0.3 1 187 18 LYS HG2 H 1.40 0.03 2 188 18 LYS HG3 H 1.18 0.03 2 189 18 LYS CD C 29.98 0.3 1 190 18 LYS HD2 H 1.66 0.03 2 191 18 LYS HD3 H 1.53 0.03 2 192 18 LYS CE C 42.18 0.3 1 193 18 LYS HE2 H 3.08 0.03 1 194 18 LYS HE3 H 3.08 0.03 1 195 18 LYS C C 177.07 0.3 1 196 19 ASN N N 115.94 0.3 1 197 19 ASN H H 8.37 0.03 1 198 19 ASN CA C 52.98 0.3 1 199 19 ASN HA H 5.10 0.03 1 200 19 ASN CB C 39.08 0.3 1 201 19 ASN HB2 H 3.08 0.03 2 202 19 ASN HB3 H 2.68 0.03 2 203 19 ASN C C 175.07 0.3 1 204 20 GLU N N 118.44 0.3 1 205 20 GLU H H 7.68 0.03 1 206 20 GLU CA C 54.58 0.3 1 207 20 GLU HA H 4.65 0.03 1 208 20 GLU CB C 30.98 0.3 1 209 20 GLU HB2 H 1.78 0.03 1 210 20 GLU HB3 H 1.78 0.03 1 211 20 GLU CG C 34.98 0.3 1 212 20 GLU HG2 H 2.29 0.03 1 213 20 GLU HG3 H 2.29 0.03 1 214 21 LYS CA C 63.08 0.3 1 215 21 LYS HA H 4.55 0.03 1 216 21 LYS CB C 31.28 0.3 1 217 21 LYS HB2 H 1.97 0.03 2 218 21 LYS HB3 H 1.76 0.03 2 219 21 LYS CG C 25.18 0.3 1 220 21 LYS HG2 H 1.49 0.03 2 221 21 LYS HG3 H 1.42 0.03 2 222 21 LYS CD C 29.38 0.3 1 223 21 LYS HD2 H 1.71 0.03 1 224 21 LYS HD3 H 1.71 0.03 1 225 21 LYS CE C 41.98 0.3 1 226 21 LYS HE2 H 3.03 0.03 1 227 21 LYS HE3 H 3.03 0.03 1 228 21 LYS C C 175.87 0.3 1 229 22 VAL N N 121.54 0.3 1 230 22 VAL H H 7.50 0.03 1 231 22 VAL CA C 61.38 0.3 1 232 22 VAL HA H 4.03 0.03 1 233 22 VAL CB C 34.78 0.3 1 234 22 VAL HB H 1.91 0.03 1 235 22 VAL CG1 C 22.38 0.3 1 236 22 VAL HG1 H 0.91 0.03 1 237 22 VAL HG2 H 0.91 0.03 1 238 22 VAL C C 174.87 0.3 1 239 23 ASN N N 129.24 0.3 1 240 23 ASN H H 9.79 0.03 1 241 23 ASN CA C 51.88 0.3 1 242 23 ASN HA H 4.96 0.03 1 243 23 ASN CB C 38.08 0.3 1 244 23 ASN HB2 H 3.11 0.03 2 245 23 ASN HB3 H 2.82 0.03 2 246 23 ASN ND2 N 109.60 0.3 1 247 23 ASN HD21 H 7.66 0.03 2 248 23 ASN HD22 H 6.25 0.03 2 249 23 ASN C C 173.37 0.3 1 250 24 TRP N N 122.84 0.3 1 251 24 TRP H H 7.92 0.03 1 252 24 TRP CA C 54.28 0.3 1 253 24 TRP HA H 5.67 0.03 1 254 24 TRP CB C 31.48 0.3 1 255 24 TRP HB2 H 3.12 0.03 2 256 24 TRP HB3 H 2.90 0.03 2 257 24 TRP CD1 C 126.38 0.3 1 258 24 TRP NE1 N 131.30 0.3 1 259 24 TRP HD1 H 7.53 0.03 1 260 24 TRP CZ2 C 113.58 0.3 1 261 24 TRP HE1 H 10.39 0.03 1 262 24 TRP HZ2 H 7.55 0.03 1 263 24 TRP C C 173.17 0.3 1 264 25 VAL N N 110.34 0.3 1 265 25 VAL H H 8.90 0.03 1 266 25 VAL CA C 58.58 0.3 1 267 25 VAL HA H 4.02 0.03 1 269 25 VAL HB H 1.81 0.03 1 270 25 VAL HG1 H 0.58 0.03 2 271 25 VAL HG2 H 0.69 0.03 2 272 25 VAL CG1 C 24.18 0.3 1 273 25 VAL CG2 C 20.78 0.3 1 274 25 VAL C C 174.47 0.3 1 275 26 VAL N N 123.64 0.3 1 276 26 VAL H H 8.86 0.03 1 277 26 VAL CA C 62.58 0.3 1 278 26 VAL HA H 4.71 0.03 1 279 26 VAL CB C 32.38 0.3 1 280 26 VAL HB H 2.00 0.03 1 281 26 VAL HG1 H 1.08 0.03 2 282 26 VAL HG2 H 1.07 0.03 2 283 26 VAL CG1 C 24.08 0.3 1 284 26 VAL CG2 C 22.88 0.3 1 285 26 VAL C C 175.57 0.3 1 286 27 THR N N 118.84 0.3 1 287 27 THR H H 8.39 0.03 1 288 27 THR CA C 59.48 0.3 1 289 27 THR HA H 4.93 0.03 1 290 27 THR CB C 69.78 0.3 1 291 27 THR HB H 4.31 0.03 1 292 27 THR HG2 H 1.12 0.03 1 293 27 THR CG2 C 22.18 0.3 1 294 27 THR C C 173.87 0.3 1 295 28 GLY N N 108.64 0.3 1 296 28 GLY H H 8.84 0.03 1 297 28 GLY CA C 44.78 0.3 1 298 28 GLY HA2 H 3.96 0.03 2 299 28 GLY HA3 H 3.32 0.03 2 300 28 GLY C C 173.77 0.3 1 301 29 SER N N 114.84 0.3 1 302 29 SER H H 8.21 0.03 1 303 29 SER CA C 62.58 0.3 1 304 29 SER HA H 3.95 0.03 1 305 29 SER CB C 62.18 0.3 1 306 29 SER HB2 H 3.66 0.03 1 307 29 SER HB3 H 3.66 0.03 1 308 29 SER C C 174.87 0.3 1 309 30 LEU N N 119.84 0.3 1 310 30 LEU H H 9.13 0.03 1 311 30 LEU CA C 57.68 0.3 1 312 30 LEU HA H 4.04 0.03 1 313 30 LEU CB C 41.68 0.3 1 314 30 LEU HB2 H 2.03 0.03 1 315 30 LEU HB3 H 2.03 0.03 1 316 30 LEU CG C 26.78 0.3 1 317 30 LEU HG H 1.78 0.03 1 318 30 LEU HD1 H 0.95 0.03 2 319 30 LEU HD2 H 1.06 0.03 2 320 30 LEU CD1 C 24.58 0.3 1 321 30 LEU CD2 C 23.08 0.3 1 322 30 LEU C C 178.17 0.3 1 323 31 SER N N 111.44 0.3 1 324 31 SER H H 6.38 0.03 1 325 31 SER CA C 59.98 0.3 1 326 31 SER HA H 3.89 0.03 1 327 31 SER CB C 62.28 0.3 1 328 31 SER HB2 H 3.56 0.03 1 329 31 SER HB3 H 3.56 0.03 1 330 31 SER C C 177.57 0.3 1 331 32 PHE N N 117.24 0.3 1 332 32 PHE H H 8.06 0.03 1 333 32 PHE CA C 57.68 0.3 1 334 32 PHE HA H 4.20 0.03 1 335 32 PHE CB C 35.58 0.3 1 336 32 PHE HB2 H 3.20 0.03 2 337 32 PHE HB3 H 2.83 0.03 2 338 32 PHE HD1 H 6.95 0.03 1 339 32 PHE HD2 H 6.95 0.03 1 340 32 PHE HE1 H 7.19 0.03 1 341 32 PHE HE2 H 7.19 0.03 1 342 32 PHE CD1 C 130.48 0.3 1 343 32 PHE CE1 C 130.98 0.3 1 344 32 PHE C C 178.37 0.3 1 345 33 ALA N N 121.94 0.3 1 346 33 ALA H H 8.70 0.03 1 347 33 ALA CA C 54.78 0.3 1 348 33 ALA HA H 4.68 0.03 1 349 33 ALA HB H 1.37 0.03 1 351 33 ALA C C 182.97 0.3 1 352 34 LEU N N 119.84 0.3 1 353 34 LEU H H 8.62 0.03 1 354 34 LEU CA C 57.28 0.3 1 355 34 LEU HA H 4.00 0.03 1 356 34 LEU CB C 42.28 0.3 1 357 34 LEU HB2 H 2.18 0.03 1 358 34 LEU HB3 H 2.18 0.03 1 359 34 LEU CG C 26.78 0.3 1 360 34 LEU HG H 1.91 0.03 1 361 34 LEU HD1 H 0.69 0.03 2 362 34 LEU HD2 H 0.73 0.03 2 363 34 LEU CD1 C 26.78 0.3 1 364 34 LEU CD2 C 23.18 0.3 1 367 35 GLN H H 7.67 0.03 1 368 35 GLN CA C 56.78 0.3 1 369 35 GLN HA H 4.35 0.03 1 370 35 GLN CB C 30.78 0.3 1 371 35 GLN HB2 H 2.50 0.03 2 372 35 GLN HB3 H 2.01 0.03 2 373 35 GLN CG C 36.98 0.3 1 374 35 GLN HG2 H 2.84 0.03 2 375 35 GLN HG3 H 1.78 0.03 2 376 35 GLN C C 174.67 0.3 1 377 36 GLY N N 105.64 0.3 1 378 36 GLY H H 7.59 0.03 1 379 36 GLY CA C 44.98 0.3 1 380 36 GLY HA2 H 4.33 0.03 2 381 36 GLY HA3 H 3.45 0.03 2 382 36 GLY C C 173.17 0.3 1 383 37 VAL N N 123.94 0.3 1 384 37 VAL H H 8.08 0.03 1 385 37 VAL CA C 57.28 0.3 1 386 37 VAL HA H 4.21 0.03 1 387 37 VAL CB C 31.98 0.3 1 388 37 VAL HB H 1.38 0.03 1 389 37 VAL HG1 H 0.30 0.03 2 390 37 VAL HG2 H -0.16 0.03 2 391 37 VAL CG1 C 21.08 0.3 1 392 37 VAL CG2 C 20.38 0.3 1 393 38 PRO CD C 50.68 0.3 1 394 38 PRO CA C 62.48 0.3 1 395 38 PRO HA H 4.00 0.03 1 396 38 PRO CB C 28.88 0.3 1 397 38 PRO HB2 H 2.13 0.03 2 398 38 PRO HB3 H 1.75 0.03 2 399 38 PRO CG C 28.08 0.3 1 400 38 PRO HG2 H 1.99 0.03 1 401 38 PRO HG3 H 1.99 0.03 1 402 38 PRO HD2 H 3.60 0.03 2 403 38 PRO HD3 H 3.18 0.03 2 406 39 VAL H H 7.88 0.03 1 407 39 VAL CA C 58.98 0.3 1 408 39 VAL HA H 4.47 0.03 1 409 39 VAL CB C 34.88 0.3 1 410 39 VAL HB H 2.15 0.03 1 411 39 VAL HG1 H 0.85 0.03 2 412 39 VAL HG2 H 0.87 0.03 2 413 39 VAL CG1 C 22.38 0.3 1 414 39 VAL CG2 C 20.68 0.3 1 415 39 VAL C C 174.47 0.3 1 416 40 GLU N N 121.54 0.3 1 417 40 GLU H H 8.21 0.03 1 418 40 GLU CA C 55.58 0.3 1 419 40 GLU HA H 4.21 0.03 1 420 40 GLU CB C 30.88 0.3 1 421 40 GLU HB2 H 1.82 0.03 2 422 40 GLU HB3 H 1.77 0.03 2 423 40 GLU CG C 36.48 0.3 1 424 40 GLU HG2 H 2.25 0.03 2 425 40 GLU HG3 H 2.11 0.03 2 426 40 GLU C C 175.67 0.3 1 427 41 VAL N N 122.64 0.3 1 428 41 VAL H H 7.79 0.03 1 429 41 VAL CA C 61.58 0.3 1 430 41 VAL HA H 3.81 0.03 1 431 41 VAL CB C 33.18 0.3 1 432 41 VAL HB H 1.45 0.03 1 433 41 VAL HG1 H 0.38 0.03 2 434 41 VAL HG2 H 0.59 0.03 2 435 41 VAL CG1 C 22.48 0.3 1 436 41 VAL CG2 C 21.78 0.3 1 437 42 HIS CA C 55.58 0.3 1 438 42 HIS HA H 4.89 0.03 1 439 42 HIS CB C 32.98 0.3 1 440 42 HIS HB2 H 3.24 0.03 2 441 42 HIS HB3 H 2.83 0.03 2 442 42 HIS C C 174.37 0.3 1 443 43 ASP N N 119.24 0.3 1 444 43 ASP H H 8.15 0.03 1 445 43 ASP CA C 53.38 0.3 1 446 43 ASP HA H 4.60 0.03 1 447 43 ASP CB C 41.88 0.3 1 448 43 ASP HB2 H 3.25 0.03 2 449 43 ASP HB3 H 3.15 0.03 2 450 43 ASP C C 172.97 0.3 1 451 44 ILE N N 114.54 0.3 1 452 44 ILE H H 8.32 0.03 1 453 44 ILE CA C 61.28 0.3 1 454 44 ILE HA H 4.55 0.03 1 455 44 ILE CB C 41.08 0.3 1 456 44 ILE HB H 1.73 0.03 1 457 44 ILE HG2 H 0.83 0.03 1 458 44 ILE CG2 C 16.78 0.3 1 459 44 ILE CG1 C 27.18 0.3 1 460 44 ILE HG12 H 1.62 0.03 1 461 44 ILE HG13 H 1.62 0.03 1 462 44 ILE HD1 H 0.81 0.03 1 463 44 ILE CD1 C 14.08 0.3 1 464 44 ILE C C 173.27 0.3 1 465 45 ASP N N 129.44 0.3 1 466 45 ASP H H 8.79 0.03 1 467 45 ASP CA C 53.38 0.3 1 468 45 ASP HA H 5.29 0.03 1 469 45 ASP CB C 43.38 0.3 1 470 45 ASP HB2 H 2.62 0.03 2 471 45 ASP HB3 H 2.45 0.03 2 472 45 ASP C C 174.17 0.3 1 473 46 ILE N N 121.94 0.3 1 474 46 ILE H H 9.08 0.03 1 475 46 ILE CA C 58.38 0.3 1 476 46 ILE HA H 5.09 0.03 1 477 46 ILE CB C 40.18 0.3 1 478 46 ILE HB H 1.82 0.03 1 479 46 ILE HG2 H 0.93 0.03 1 480 46 ILE CG2 C 17.98 0.3 1 481 46 ILE CG1 C 27.48 0.3 1 482 46 ILE HG12 H 1.30 0.03 2 483 46 ILE HG13 H 1.25 0.03 2 484 46 ILE HD1 H 0.64 0.03 1 485 46 ILE CD1 C 12.68 0.3 1 486 46 ILE C C 174.97 0.3 1 487 47 GLN N N 127.44 0.3 1 488 47 GLN H H 9.27 0.03 1 489 47 GLN CA C 53.68 0.3 1 490 47 GLN HA H 5.61 0.03 1 491 47 GLN CB C 31.68 0.3 1 492 47 GLN HB2 H 1.94 0.03 1 493 47 GLN HB3 H 1.94 0.03 1 494 47 GLN CG C 35.08 0.3 1 495 47 GLN HG2 H 2.66 0.03 2 496 47 GLN HG3 H 2.48 0.03 2 497 47 GLN NE2 N 107.70 0.3 1 498 47 GLN HE21 H 7.54 0.03 2 499 47 GLN HE22 H 6.75 0.03 2 500 47 GLN C C 173.77 0.3 1 501 48 THR N N 119.34 0.3 1 502 48 THR H H 8.60 0.03 1 503 48 THR CA C 58.38 0.3 1 504 48 THR HA H 5.11 0.03 1 505 48 THR CB C 69.58 0.3 1 506 48 THR HB H 4.14 0.03 1 507 48 THR HG2 H 1.09 0.03 1 508 48 THR CG2 C 18.08 0.3 1 509 48 THR C C 174.57 0.3 1 510 49 ASP N N 124.44 0.3 1 511 49 ASP H H 9.41 0.03 1 512 49 ASP CA C 52.08 0.3 1 513 49 ASP HA H 5.28 0.03 1 515 49 ASP HB2 H 3.40 0.03 2 516 49 ASP HB3 H 2.86 0.03 2 517 49 ASP C C 175.77 0.3 1 518 50 GLU N N 121.04 0.3 1 519 50 GLU H H 7.80 0.03 1 520 50 GLU CA C 61.28 0.3 1 521 50 GLU HA H 3.47 0.03 1 522 50 GLU CB C 29.48 0.3 1 523 50 GLU HB2 H 2.06 0.03 2 524 50 GLU HB3 H 1.89 0.03 2 525 50 GLU CG C 34.88 0.3 1 526 50 GLU HG2 H 1.82 0.03 1 527 50 GLU HG3 H 1.82 0.03 1 528 50 GLU C C 176.67 0.3 1 529 51 GLU N N 114.74 0.3 1 530 51 GLU H H 8.59 0.03 1 531 51 GLU CA C 59.28 0.3 1 532 51 GLU HA H 4.09 0.03 1 533 51 GLU CB C 29.88 0.3 1 534 51 GLU HB2 H 2.05 0.03 2 535 51 GLU HB3 H 2.00 0.03 2 536 51 GLU CG C 36.98 0.3 1 537 51 GLU HG2 H 2.38 0.03 2 538 51 GLU HG3 H 2.31 0.03 2 539 51 GLU C C 180.37 0.3 1 540 52 GLY N N 108.54 0.3 1 541 52 GLY H H 8.70 0.03 1 542 52 GLY CA C 47.48 0.3 1 543 52 GLY HA2 H 4.51 0.03 2 544 52 GLY HA3 H 3.77 0.03 2 545 52 GLY C C 175.67 0.3 1 546 53 ALA N N 124.04 0.3 1 547 53 ALA H H 7.97 0.03 1 548 53 ALA CA C 55.48 0.3 1 549 53 ALA HA H 3.65 0.03 1 550 53 ALA HB H 1.03 0.03 1 551 53 ALA CB C 17.68 0.3 1 552 53 ALA C C 178.27 0.3 1 553 54 TYR N N 113.24 0.3 1 554 54 TYR H H 6.89 0.03 1 555 54 TYR CA C 61.18 0.3 1 556 54 TYR HA H 4.06 0.03 1 557 54 TYR CB C 37.98 0.3 1 558 54 TYR HB2 H 3.25 0.03 2 559 54 TYR HB3 H 2.88 0.03 2 560 54 TYR HD1 H 7.42 0.03 1 561 54 TYR HD2 H 7.42 0.03 1 562 54 TYR HE1 H 6.66 0.03 1 563 54 TYR HE2 H 6.66 0.03 1 564 54 TYR CD1 C 133.38 0.3 1 565 54 TYR CE1 C 118.68 0.3 1 566 54 TYR C C 179.37 0.3 1 567 55 GLU N N 122.34 0.3 1 568 55 GLU H H 8.25 0.03 1 569 55 GLU CA C 58.58 0.3 1 570 55 GLU HA H 4.49 0.03 1 571 55 GLU CB C 30.48 0.3 1 572 55 GLU HB2 H 2.25 0.03 2 573 55 GLU HB3 H 1.95 0.03 2 574 55 GLU CG C 36.08 0.3 1 575 55 GLU HG2 H 2.33 0.03 1 576 55 GLU HG3 H 2.33 0.03 1 577 55 GLU C C 178.87 0.3 1 578 56 ILE N N 120.54 0.3 1 579 56 ILE H H 9.04 0.03 1 580 56 ILE CA C 66.48 0.3 1 581 56 ILE HA H 3.55 0.03 1 582 56 ILE CB C 37.48 0.3 1 583 56 ILE HB H 1.91 0.03 1 584 56 ILE HG2 H 0.74 0.03 1 585 56 ILE CG2 C 17.78 0.3 1 586 56 ILE CG1 C 32.18 0.3 1 587 56 ILE HG12 H 2.06 0.03 1 588 56 ILE HG13 H 2.06 0.03 1 589 56 ILE HD1 H 0.60 0.03 1 590 56 ILE CD1 C 13.48 0.3 1 591 56 ILE C C 177.37 0.3 1 592 57 GLU N N 118.84 0.3 1 593 57 GLU H H 7.42 0.03 1 594 57 GLU CA C 59.88 0.3 1 595 57 GLU HA H 3.61 0.03 1 596 57 GLU CB C 30.18 0.3 1 597 57 GLU HB2 H 2.21 0.03 2 598 57 GLU HB3 H 2.09 0.03 2 599 57 GLU CG C 37.28 0.3 1 600 57 GLU HG2 H 2.23 0.03 1 601 57 GLU HG3 H 2.23 0.03 1 602 57 GLU C C 176.77 0.3 1 603 58 ARG N N 116.84 0.3 1 604 58 ARG H H 7.36 0.03 1 605 58 ARG CA C 59.48 0.3 1 606 58 ARG HA H 4.07 0.03 1 607 58 ARG CB C 30.58 0.3 1 608 58 ARG HB2 H 2.18 0.03 2 609 58 ARG HB3 H 1.99 0.03 2 610 58 ARG CG C 27.28 0.3 1 611 58 ARG HG2 H 1.76 0.03 2 612 58 ARG HG3 H 1.53 0.03 2 613 58 ARG CD C 43.08 0.3 1 614 58 ARG HD2 H 3.38 0.03 2 615 58 ARG HD3 H 3.19 0.03 2 616 58 ARG C C 180.27 0.3 1 617 59 ILE N N 121.54 0.3 1 618 59 ILE H H 8.77 0.03 1 619 59 ILE CA C 64.48 0.3 1 620 59 ILE HA H 3.47 0.03 1 621 59 ILE CB C 38.98 0.3 1 622 59 ILE HB H 1.55 0.03 1 623 59 ILE HG2 H 0.14 0.03 1 624 59 ILE CG2 C 18.48 0.3 1 625 59 ILE CG1 C 30.08 0.3 1 626 59 ILE HG12 H 1.72 0.03 2 627 59 ILE HG13 H 0.86 0.03 2 628 59 ILE HD1 H 0.62 0.03 1 629 59 ILE CD1 C 15.18 0.3 1 630 59 ILE C C 177.47 0.3 1 631 60 PHE N N 117.04 0.3 1 632 60 PHE H H 8.29 0.03 1 633 60 PHE CA C 57.18 0.3 1 634 60 PHE HA H 4.73 0.03 1 635 60 PHE CB C 38.78 0.3 1 636 60 PHE HB2 H 3.69 0.03 2 637 60 PHE HB3 H 2.77 0.03 2 638 60 PHE HD1 H 7.49 0.03 1 639 60 PHE HD2 H 7.49 0.03 1 640 60 PHE HE1 H 6.89 0.03 1 641 60 PHE HE2 H 6.89 0.03 1 642 60 PHE CD1 C 132.38 0.3 1 643 60 PHE CE1 C 130.18 0.3 1 644 60 PHE C C 176.47 0.3 1 645 61 SER N N 115.14 0.3 1 646 61 SER H H 6.88 0.03 1 647 61 SER CA C 62.58 0.3 1 648 61 SER HA H 4.32 0.03 1 649 61 SER CB C 63.28 0.3 1 650 61 SER HB2 H 4.20 0.03 2 651 61 SER HB3 H 4.05 0.03 2 652 61 SER C C 176.67 0.3 1 653 62 GLU N N 122.04 0.3 1 654 62 GLU H H 10.00 0.03 1 655 62 GLU CA C 57.68 0.3 1 656 62 GLU HA H 4.30 0.03 1 657 62 GLU CB C 27.98 0.3 1 658 62 GLU HB2 H 1.77 0.03 2 659 62 GLU HB3 H 1.68 0.03 2 660 62 GLU CG C 35.08 0.3 1 661 62 GLU HG2 H 1.60 0.03 2 662 62 GLU HG3 H 0.98 0.03 2 663 62 GLU C C 176.77 0.3 1 664 63 PHE N N 118.74 0.3 1 665 63 PHE H H 8.56 0.03 1 666 63 PHE CA C 56.38 0.3 1 667 63 PHE HA H 5.08 0.03 1 668 63 PHE CB C 40.78 0.3 1 669 63 PHE HB2 H 3.83 0.03 2 670 63 PHE HB3 H 2.78 0.03 2 671 63 PHE HD1 H 7.47 0.03 1 672 63 PHE HD2 H 7.47 0.03 1 673 63 PHE HE1 H 6.89 0.03 1 674 63 PHE HE2 H 6.89 0.03 1 675 63 PHE CD1 C 131.68 0.3 1 676 63 PHE C C 175.57 0.3 1 677 64 VAL N N 120.84 0.3 1 678 64 VAL H H 7.21 0.03 1 679 64 VAL CA C 64.68 0.3 1 680 64 VAL HA H 3.87 0.03 1 681 64 VAL CB C 32.68 0.3 1 682 64 VAL HB H 2.08 0.03 1 683 64 VAL HG1 H 1.18 0.03 2 684 64 VAL HG2 H 0.92 0.03 2 685 64 VAL CG1 C 25.18 0.3 1 686 64 VAL CG2 C 21.18 0.3 1 687 64 VAL C C 175.97 0.3 1 688 65 SER N N 125.34 0.3 1 689 65 SER H H 9.33 0.03 1 690 65 SER CA C 58.28 0.3 1 691 65 SER HA H 4.70 0.03 1 692 65 SER CB C 63.28 0.3 1 693 65 SER HB2 H 3.87 0.03 2 694 65 SER HB3 H 3.58 0.03 2 695 65 SER C C 176.27 0.3 1 696 66 LYS N N 123.04 0.3 1 697 66 LYS H H 8.06 0.03 1 698 66 LYS CA C 55.98 0.3 1 699 66 LYS HA H 4.62 0.03 1 700 66 LYS CB C 35.18 0.3 1 701 66 LYS HB2 H 1.77 0.03 2 702 66 LYS HB3 H 1.58 0.03 2 703 66 LYS CG C 24.98 0.3 1 704 66 LYS HG2 H 1.44 0.03 2 705 66 LYS HG3 H 1.34 0.03 2 706 66 LYS CD C 29.48 0.3 1 707 66 LYS HD2 H 1.72 0.03 2 708 66 LYS HD3 H 1.50 0.03 2 709 66 LYS CE C 42.08 0.3 1 710 66 LYS HE2 H 3.02 0.03 1 711 66 LYS HE3 H 3.02 0.03 1 712 66 LYS C C 174.67 0.3 1 713 67 LYS N N 124.34 0.3 1 714 67 LYS H H 8.39 0.03 1 715 67 LYS CA C 56.38 0.3 1 716 67 LYS HA H 4.09 0.03 1 717 67 LYS CB C 32.58 0.3 1 718 67 LYS HB2 H 1.92 0.03 2 719 67 LYS HB3 H 1.76 0.03 2 720 67 LYS CG C 25.08 0.3 1 721 67 LYS HG2 H 1.65 0.03 2 722 67 LYS HG3 H 1.49 0.03 2 723 67 LYS CD C 29.08 0.3 1 724 67 LYS HD2 H 1.80 0.03 2 725 67 LYS HD3 H 1.75 0.03 2 726 67 LYS CE C 42.18 0.3 1 727 67 LYS HE2 H 3.12 0.03 1 728 67 LYS HE3 H 3.12 0.03 1 729 67 LYS C C 176.37 0.3 1 730 68 VAL N N 124.24 0.3 1 731 68 VAL H H 9.18 0.03 1 732 68 VAL CA C 62.38 0.3 1 733 68 VAL HA H 4.14 0.03 1 734 68 VAL CB C 30.78 0.3 1 735 68 VAL HB H 1.61 0.03 1 736 68 VAL HG1 H 0.62 0.03 2 737 68 VAL HG2 H 0.03 0.03 2 738 68 VAL CG1 C 22.48 0.3 1 739 68 VAL CG2 C 22.18 0.3 1 742 69 ARG H H 8.58 0.03 1 743 69 ARG CA C 53.88 0.3 1 744 69 ARG HA H 5.01 0.03 1 745 69 ARG CB C 33.38 0.3 1 746 69 ARG HB2 H 1.97 0.03 1 747 69 ARG HB3 H 1.97 0.03 1 748 69 ARG CG C 26.38 0.3 1 749 69 ARG HG2 H 1.74 0.03 2 750 69 ARG HG3 H 1.69 0.03 2 751 69 ARG CD C 43.38 0.3 1 752 69 ARG HD2 H 3.39 0.03 1 753 69 ARG HD3 H 3.39 0.03 1 754 69 ARG C C 175.07 0.3 1 755 70 PHE N N 124.54 0.3 1 756 70 PHE H H 9.11 0.03 1 757 70 PHE CA C 58.78 0.3 1 758 70 PHE HA H 4.46 0.03 1 759 70 PHE CB C 38.58 0.3 1 760 70 PHE HB2 H 2.88 0.03 2 761 70 PHE HB3 H 2.82 0.03 2 762 70 PHE HD1 H 6.41 0.03 1 763 70 PHE HD2 H 6.41 0.03 1 764 70 PHE HE1 H 7.12 0.03 1 765 70 PHE HE2 H 7.12 0.03 1 766 70 PHE CD1 C 131.58 0.3 1 769 71 SER H H 8.63 0.03 1 771 71 SER HA H 4.55 0.03 1 773 71 SER HB2 H 3.70 0.03 2 774 71 SER HB3 H 3.62 0.03 2 775 72 SER CA C 56.38 0.3 1 776 72 SER HA H 5.04 0.03 1 777 72 SER CB C 65.68 0.3 1 778 72 SER HB2 H 3.69 0.03 2 779 72 SER HB3 H 3.64 0.03 2 780 72 SER C C 174.47 0.3 1 781 73 THR N N 116.84 0.3 1 782 73 THR H H 8.94 0.03 1 783 73 THR CA C 59.78 0.3 1 784 73 THR HA H 4.91 0.03 1 785 73 THR CB C 71.28 0.3 1 786 73 THR HB H 4.78 0.03 1 787 73 THR HG2 H 1.20 0.03 1 788 73 THR CG2 C 21.98 0.3 1 789 75 LYS CA C 56.38 0.3 1 790 75 LYS HA H 4.54 0.03 1 791 75 LYS CB C 35.98 0.3 1 792 75 LYS HB2 H 1.97 0.03 2 793 75 LYS HB3 H 1.82 0.03 2 794 75 LYS CG C 25.38 0.3 1 795 75 LYS HG2 H 1.49 0.03 2 796 75 LYS HG3 H 1.41 0.03 2 797 75 LYS HD2 H 1.70 0.03 1 798 75 LYS HD3 H 1.70 0.03 1 799 75 LYS CE C 42.08 0.3 1 800 75 LYS HE2 H 3.01 0.03 1 801 75 LYS HE3 H 3.01 0.03 1 802 75 LYS C C 176.27 0.3 1 803 76 ILE N N 116.64 0.3 1 804 76 ILE H H 7.69 0.03 1 805 76 ILE CA C 59.78 0.3 1 806 76 ILE HA H 5.68 0.03 1 807 76 ILE CB C 43.48 0.3 1 808 76 ILE HB H 1.72 0.03 1 809 76 ILE HG2 H 0.86 0.03 1 810 76 ILE CG2 C 18.28 0.3 1 811 76 ILE CG1 C 27.78 0.3 1 812 76 ILE HG12 H 1.48 0.03 2 813 76 ILE HG13 H 1.05 0.03 2 814 76 ILE HD1 H 0.82 0.03 1 815 76 ILE CD1 C 14.58 0.3 1 816 76 ILE C C 174.37 0.3 1 817 77 CYS N N 119.64 0.3 1 818 77 CYS H H 8.87 0.03 1 819 77 CYS CA C 55.48 0.3 1 820 77 CYS HA H 5.38 0.03 1 821 77 CYS CB C 31.88 0.3 1 822 77 CYS HB2 H 2.40 0.03 2 823 77 CYS HB3 H 2.27 0.03 2 824 77 CYS C C 171.87 0.3 1 825 78 SER N N 111.14 0.3 1 826 78 SER H H 8.09 0.03 1 827 78 SER CA C 58.38 0.3 1 828 78 SER HA H 4.62 0.03 1 830 78 SER HB2 H 3.95 0.03 2 831 78 SER HB3 H 3.61 0.03 2 832 78 SER C C 172.07 0.3 1 833 79 HIS N N 120.14 0.3 1 834 79 HIS H H 9.19 0.03 1 835 79 HIS CA C 56.78 0.3 1 836 79 HIS HA H 4.65 0.03 1 837 79 HIS CB C 30.28 0.3 1 838 79 HIS HB2 H 2.74 0.03 2 839 79 HIS HB3 H 2.46 0.03 2 840 79 HIS C C 173.97 0.3 1 841 80 PHE N N 127.14 0.3 1 842 80 PHE H H 8.50 0.03 1 843 80 PHE CA C 55.68 0.3 1 844 80 PHE HA H 5.94 0.03 1 845 80 PHE CB C 43.08 0.3 1 846 80 PHE HB2 H 3.30 0.03 2 847 80 PHE HB3 H 2.84 0.03 2 848 80 PHE HD1 H 7.21 0.03 1 849 80 PHE HD2 H 7.21 0.03 1 850 80 PHE CD1 C 131.88 0.3 1 851 80 PHE C C 175.47 0.3 1 852 81 GLY N N 114.24 0.3 1 853 81 GLY H H 8.47 0.03 1 854 81 GLY CA C 44.48 0.3 1 855 81 GLY HA2 H 3.76 0.03 2 856 81 GLY HA3 H 3.45 0.03 2 857 81 GLY C C 169.67 0.3 1 858 82 GLU N N 118.54 0.3 1 859 82 GLU H H 8.95 0.03 1 860 82 GLU CA C 55.08 0.3 1 861 82 GLU HA H 5.30 0.03 1 862 82 GLU CB C 36.38 0.3 1 863 82 GLU HB2 H 2.00 0.03 2 864 82 GLU HB3 H 1.81 0.03 2 865 82 GLU CG C 38.28 0.3 1 866 82 GLU HG2 H 2.24 0.03 2 867 82 GLU HG3 H 2.04 0.03 2 868 82 GLU C C 174.47 0.3 1 869 83 LEU N N 124.94 0.3 1 870 83 LEU H H 9.54 0.03 1 871 83 LEU CA C 52.28 0.3 1 872 83 LEU HA H 5.16 0.03 1 873 83 LEU CB C 45.08 0.3 1 874 83 LEU CG C 26.78 0.3 1 875 83 LEU HG H 1.46 0.03 1 876 83 LEU HD1 H 0.26 0.03 2 877 83 LEU HD2 H 0.79 0.03 2 878 83 LEU CD1 C 25.98 0.3 1 879 83 LEU CD2 C 23.98 0.3 1 880 83 LEU C C 176.17 0.3 1 881 84 ILE N N 118.54 0.3 1 882 84 ILE H H 8.52 0.03 1 883 84 ILE CA C 61.08 0.3 1 884 84 ILE HA H 4.80 0.03 1 886 84 ILE HB H 1.71 0.03 1 887 84 ILE HG2 H 0.66 0.03 1 888 84 ILE CG2 C 17.38 0.3 1 889 84 ILE CG1 C 27.18 0.3 1 890 84 ILE HG12 H 1.67 0.03 2 891 84 ILE HG13 H 0.96 0.03 2 892 84 ILE HD1 H 0.84 0.03 1 893 84 ILE CD1 C 13.18 0.3 1 894 84 ILE C C 176.07 0.3 1 895 85 ILE N N 126.14 0.3 1 896 85 ILE H H 8.68 0.03 1 897 85 ILE CA C 59.78 0.3 1 898 85 ILE HA H 3.97 0.03 1 899 85 ILE CB C 38.88 0.3 1 900 85 ILE HB H 1.33 0.03 1 901 85 ILE HG2 H 0.23 0.03 1 902 85 ILE CG2 C 17.08 0.3 1 903 85 ILE CG1 C 25.38 0.3 1 904 85 ILE HG12 H 1.05 0.03 1 905 85 ILE HG13 H 1.05 0.03 1 906 85 ILE HD1 H 0.13 0.03 1 907 85 ILE CD1 C 13.28 0.3 1 908 85 ILE C C 174.67 0.3 1 909 86 ASP N N 125.74 0.3 1 910 86 ASP H H 8.90 0.03 1 911 86 ASP CA C 55.08 0.3 1 912 86 ASP HA H 4.16 0.03 1 913 86 ASP CB C 39.28 0.3 1 914 86 ASP HB2 H 2.73 0.03 2 915 86 ASP HB3 H 2.56 0.03 2 916 86 ASP C C 176.07 0.3 1 917 87 GLY N N 101.04 0.3 1 918 87 GLY H H 7.92 0.03 1 919 87 GLY CA C 45.18 0.3 1 920 87 GLY HA2 H 4.10 0.03 2 921 87 GLY HA3 H 3.42 0.03 2 922 87 GLY C C 173.57 0.3 1 923 88 ILE N N 124.34 0.3 1 924 88 ILE H H 8.04 0.03 1 925 88 ILE CA C 59.48 0.3 1 926 88 ILE HA H 4.14 0.03 1 927 88 ILE CB C 38.28 0.3 1 928 88 ILE HB H 2.03 0.03 1 929 88 ILE HG2 H 0.84 0.03 1 930 88 ILE CG2 C 17.68 0.3 1 931 88 ILE CG1 C 28.28 0.3 1 932 88 ILE HG12 H 1.15 0.03 2 933 88 ILE HG13 H 0.95 0.03 2 934 88 ILE HD1 H 0.15 0.03 1 935 88 ILE CD1 C 11.78 0.3 1 936 88 ILE C C 173.97 0.3 1 937 89 LYS N N 128.74 0.3 1 938 89 LYS H H 8.64 0.03 1 939 89 LYS CA C 56.88 0.3 1 940 89 LYS HA H 4.54 0.03 1 941 89 LYS CB C 32.48 0.3 1 942 89 LYS HB2 H 1.76 0.03 1 943 89 LYS HB3 H 1.76 0.03 1 944 89 LYS CG C 24.98 0.3 1 945 89 LYS HG2 H 1.50 0.03 2 946 89 LYS HG3 H 1.32 0.03 2 947 89 LYS CD C 29.38 0.3 1 948 89 LYS HD2 H 1.80 0.03 2 949 89 LYS HD3 H 1.72 0.03 2 950 89 LYS CE C 41.68 0.3 1 951 89 LYS HE2 H 3.04 0.03 1 952 89 LYS HE3 H 3.04 0.03 1 953 89 LYS C C 174.77 0.3 1 954 90 VAL N N 127.74 0.3 1 955 90 VAL H H 9.06 0.03 1 956 90 VAL CA C 59.08 0.3 1 957 90 VAL HA H 5.26 0.03 1 958 90 VAL CB C 33.68 0.3 1 959 90 VAL HB H 1.75 0.03 1 960 90 VAL HG1 H 0.49 0.03 2 961 90 VAL HG2 H 0.63 0.03 2 962 90 VAL CG1 C 21.28 0.3 1 963 90 VAL CG2 C 20.08 0.3 1 964 90 VAL C C 175.87 0.3 1 965 91 GLU N N 126.34 0.3 1 966 91 GLU H H 8.94 0.03 1 967 91 GLU CA C 55.98 0.3 1 968 91 GLU HA H 4.69 0.03 1 970 91 GLU HB2 H 2.26 0.03 2 971 91 GLU HB3 H 2.16 0.03 2 972 91 GLU CG C 38.48 0.3 1 973 91 GLU HG2 H 2.58 0.03 2 974 91 GLU HG3 H 2.25 0.03 2 975 91 GLU C C 174.47 0.3 1 976 92 ILE N N 122.84 0.3 1 977 92 ILE H H 8.44 0.03 1 978 92 ILE CA C 58.98 0.3 1 979 92 ILE HA H 4.49 0.03 1 980 92 ILE CB C 40.08 0.3 1 981 92 ILE HB H 1.35 0.03 1 982 92 ILE HG2 H 0.67 0.03 1 983 92 ILE CG2 C 18.18 0.3 1 984 92 ILE CG1 C 27.08 0.3 1 985 92 ILE HG12 H 1.22 0.03 2 986 92 ILE HG13 H 0.79 0.03 2 987 92 ILE HD1 H 0.49 0.03 1 988 92 ILE CD1 C 13.68 0.3 1 989 92 ILE C C 175.07 0.3 1 990 93 MET N N 122.64 0.3 1 991 93 MET H H 8.51 0.03 1 992 93 MET CA C 54.38 0.3 1 993 93 MET HA H 5.13 0.03 1 994 93 MET CB C 35.88 0.3 1 995 93 MET HB2 H 2.21 0.03 2 996 93 MET HB3 H 1.85 0.03 2 997 93 MET CG C 33.48 0.3 1 998 93 MET HG2 H 2.71 0.03 2 999 93 MET HG3 H 2.61 0.03 2 1000 93 MET HE H 1.98 0.03 1 1001 93 MET CE C 17.88 0.3 1 1002 93 MET C C 175.27 0.3 1 1003 94 GLY N N 111.24 0.3 1 1004 94 GLY H H 9.91 0.03 1 1005 94 GLY CA C 44.68 0.3 1 1006 94 GLY HA2 H 4.64 0.03 1 1007 94 GLY HA3 H 4.64 0.03 1 1008 94 GLY C C 173.27 0.3 1 1009 95 ASP N N 124.74 0.3 1 1010 95 ASP H H 9.33 0.03 1 1011 95 ASP CA C 54.58 0.3 1 1012 95 ASP HA H 4.65 0.03 1 1013 95 ASP CB C 40.48 0.3 1 1014 95 ASP HB2 H 3.21 0.03 2 1015 95 ASP HB3 H 2.50 0.03 2 1016 95 ASP C C 174.17 0.3 1 1017 96 ILE N N 118.04 0.3 1 1018 96 ILE H H 7.92 0.03 1 1019 96 ILE CA C 62.88 0.3 1 1020 96 ILE HA H 4.38 0.03 1 1021 96 ILE CB C 38.68 0.3 1 1022 96 ILE HB H 1.71 0.03 1 1023 96 ILE HG2 H 0.93 0.03 1 1024 96 ILE CG2 C 17.38 0.3 1 1025 96 ILE CG1 C 28.88 0.3 1 1026 96 ILE HG12 H 1.64 0.03 1 1027 96 ILE HG13 H 1.64 0.03 1 1028 96 ILE HD1 H 0.93 0.03 1 1029 96 ILE CD1 C 14.68 0.3 1 1030 96 ILE C C 177.67 0.3 1 1031 97 ARG N N 127.14 0.3 1 1032 97 ARG H H 9.04 0.03 1 1033 97 ARG CA C 54.88 0.3 1 1034 97 ARG HA H 4.90 0.03 1 1035 97 ARG CB C 34.78 0.3 1 1036 97 ARG HB2 H 2.20 0.03 2 1037 97 ARG HB3 H 1.89 0.03 2 1038 97 ARG CG C 26.68 0.3 1 1039 97 ARG HG2 H 1.89 0.03 2 1040 97 ARG HG3 H 1.55 0.03 2 1041 97 ARG CD C 44.48 0.3 1 1042 97 ARG HD2 H 3.21 0.03 2 1043 97 ARG HD3 H 3.07 0.03 2 1046 98 LYS H H 8.55 0.03 1 1047 98 LYS CA C 54.78 0.3 1 1048 98 LYS HA H 5.22 0.03 1 1049 98 LYS CB C 34.38 0.3 1 1050 98 LYS HB2 H 1.83 0.03 2 1051 98 LYS HB3 H 1.74 0.03 2 1052 98 LYS CG C 25.38 0.3 1 1053 98 LYS HG2 H 1.55 0.03 2 1054 98 LYS HG3 H 1.50 0.03 2 1055 98 LYS CD C 29.38 0.3 1 1056 98 LYS HD2 H 1.68 0.03 1 1057 98 LYS HD3 H 1.68 0.03 1 1058 98 LYS CE C 42.08 0.3 1 1059 98 LYS HE2 H 3.02 0.03 2 1060 98 LYS HE3 H 2.92 0.03 2 1061 98 LYS C C 175.57 0.3 1 1062 99 ARG N N 125.24 0.3 1 1063 99 ARG H H 8.15 0.03 1 1064 99 ARG CA C 55.48 0.3 1 1065 99 ARG HA H 3.93 0.03 1 1066 99 ARG CB C 31.18 0.3 1 1067 99 ARG HB2 H 1.49 0.03 2 1068 99 ARG HB3 H 0.78 0.03 2 1069 99 ARG CG C 26.98 0.3 1 1070 99 ARG HG2 H 1.27 0.03 2 1071 99 ARG HG3 H 0.58 0.03 2 1072 99 ARG CD C 42.88 0.3 1 1073 99 ARG HD2 H 2.28 0.03 2 1074 99 ARG HD3 H 2.22 0.03 2 1075 99 ARG C C 176.77 0.3 1 1076 100 LEU N N 127.54 0.3 1 1077 100 LEU H H 9.04 0.03 1 1078 100 LEU CA C 54.18 0.3 1 1079 100 LEU HA H 4.52 0.03 1 1081 100 LEU HB2 H 1.93 0.03 2 1082 100 LEU HB3 H 1.53 0.03 2 1083 100 LEU CG C 27.78 0.3 1 1084 100 LEU HG H 1.64 0.03 1 1085 100 LEU HD1 H 0.88 0.03 2 1086 100 LEU HD2 H 0.90 0.03 2 1087 100 LEU CD1 C 25.58 0.3 1 1088 100 LEU CD2 C 22.58 0.3 1 1089 101 GLU CA C 59.28 0.3 1 1090 101 GLU HA H 3.98 0.03 1 1091 101 GLU CB C 29.38 0.3 1 1092 101 GLU HB2 H 2.06 0.03 1 1093 101 GLU HB3 H 2.06 0.03 1 1094 101 GLU CG C 36.48 0.3 1 1095 101 GLU HG2 H 2.35 0.03 1 1096 101 GLU HG3 H 2.35 0.03 1 1097 101 GLU C C 176.87 0.3 1 1098 102 ASP N N 115.44 0.3 1 1099 102 ASP H H 7.62 0.03 1 1100 102 ASP CA C 53.08 0.3 1 1101 102 ASP HA H 4.49 0.03 1 1102 102 ASP CB C 40.18 0.3 1 1103 102 ASP HB2 H 3.07 0.03 2 1104 102 ASP HB3 H 2.60 0.03 2 1105 102 ASP C C 177.27 0.3 1 1106 103 GLY N N 107.54 0.3 1 1107 103 GLY H H 8.06 0.03 1 1108 103 GLY CA C 44.98 0.3 1 1109 103 GLY HA2 H 4.28 0.03 2 1110 103 GLY HA3 H 3.41 0.03 2 1111 103 GLY C C 174.87 0.3 1 1112 104 THR N N 114.14 0.3 1 1113 104 THR H H 7.92 0.03 1 1114 104 THR CA C 61.18 0.3 1 1115 104 THR HA H 4.31 0.03 1 1116 104 THR CB C 70.68 0.3 1 1117 104 THR HB H 4.79 0.03 1 1118 104 THR HG2 H 1.14 0.03 1 1119 104 THR CG2 C 22.08 0.3 1 1122 105 TRP H H 8.49 0.03 1 1123 105 TRP CA C 55.98 0.3 1 1124 105 TRP HA H 5.04 0.03 1 1125 105 TRP CB C 31.08 0.3 1 1126 105 TRP HB2 H 3.08 0.03 1 1127 105 TRP HB3 H 3.08 0.03 1 1128 105 TRP CD1 C 127.68 0.3 1 1129 105 TRP NE1 N 128.50 0.3 1 1130 105 TRP HD1 H 7.33 0.03 1 1131 105 TRP CZ2 C 114.78 0.3 1 1132 105 TRP HE1 H 10.15 0.03 1 1133 105 TRP HZ2 H 7.47 0.03 1 1134 105 TRP C C 177.47 0.3 1 1135 106 GLU N N 124.54 0.3 1 1136 106 GLU H H 8.91 0.03 1 1137 106 GLU CA C 56.08 0.3 1 1138 106 GLU HA H 4.36 0.03 1 1139 106 GLU CB C 31.38 0.3 1 1140 106 GLU HB2 H 2.29 0.03 1 1141 106 GLU HB3 H 2.29 0.03 1 1142 106 GLU CG C 36.38 0.3 1 1143 106 GLU HG2 H 2.80 0.03 2 1144 106 GLU HG3 H 2.55 0.03 2 1145 106 GLU C C 175.47 0.3 1 1146 107 ASP N N 122.74 0.3 1 1147 107 ASP H H 8.55 0.03 1 1148 107 ASP CA C 53.78 0.3 1 1149 107 ASP HA H 4.81 0.03 1 1150 107 ASP CB C 39.48 0.3 1 1151 107 ASP HB2 H 2.83 0.03 2 1152 107 ASP HB3 H 2.54 0.03 2 1153 108 PRO CD C 49.98 0.3 1 1154 108 PRO CA C 62.58 0.3 1 1155 108 PRO HA H 4.65 0.03 1 1156 108 PRO CB C 32.18 0.3 1 1157 108 PRO HB2 H 2.13 0.03 2 1158 108 PRO HB3 H 1.97 0.03 2 1159 108 PRO CG C 27.88 0.3 1 1160 108 PRO HG2 H 2.13 0.03 2 1161 108 PRO HG3 H 1.92 0.03 2 1162 108 PRO HD2 H 3.72 0.03 1 1163 108 PRO HD3 H 3.72 0.03 1 1164 108 PRO C C 176.97 0.3 1 1165 109 VAL N N 123.54 0.3 1 1166 109 VAL H H 8.92 0.03 1 1167 109 VAL CA C 61.58 0.3 1 1168 109 VAL HA H 4.03 0.03 1 1169 109 VAL CB C 33.18 0.3 1 1170 109 VAL HB H 2.16 0.03 1 1171 109 VAL HG1 H 0.99 0.03 2 1172 109 VAL HG2 H 0.88 0.03 2 1173 109 VAL CG1 C 22.58 0.3 1 1174 109 VAL CG2 C 20.68 0.3 1 1175 109 VAL C C 175.17 0.3 1 1176 110 ASP N N 125.14 0.3 1 1177 110 ASP H H 8.33 0.03 1 1178 110 ASP CA C 52.08 0.3 1 1179 110 ASP HA H 4.81 0.03 1 1180 110 ASP CB C 39.88 0.3 1 1181 110 ASP HB2 H 2.92 0.03 2 1182 110 ASP HB3 H 2.66 0.03 2 1183 110 ASP C C 176.57 0.3 1 1184 111 LEU N N 125.94 0.3 1 1185 111 LEU H H 8.66 0.03 1 1186 111 LEU CA C 57.58 0.3 1 1187 111 LEU HA H 3.70 0.03 1 1188 111 LEU CB C 42.38 0.3 1 1189 111 LEU HB2 H 1.74 0.03 2 1190 111 LEU HB3 H 1.13 0.03 2 1191 111 LEU CG C 26.98 0.3 1 1192 111 LEU HG H 1.77 0.03 1 1193 111 LEU HD1 H 0.77 0.03 2 1194 111 LEU HD2 H 0.71 0.03 2 1195 111 LEU CD1 C 25.28 0.3 1 1196 111 LEU CD2 C 23.68 0.3 1 1197 111 LEU C C 179.07 0.3 1 1198 112 ASN N N 111.64 0.3 1 1199 112 ASN H H 8.10 0.03 1 1200 112 ASN CA C 55.98 0.3 1 1201 112 ASN HA H 4.29 0.03 1 1202 112 ASN CB C 38.28 0.3 1 1203 112 ASN HB2 H 2.92 0.03 2 1204 112 ASN HB3 H 2.69 0.03 2 1205 112 ASN C C 177.67 0.3 1 1206 113 LYS N N 119.14 0.3 1 1207 113 LYS H H 7.49 0.03 1 1208 113 LYS CA C 57.98 0.3 1 1209 113 LYS HA H 3.85 0.03 1 1210 113 LYS CB C 32.58 0.3 1 1211 113 LYS HB2 H 1.44 0.03 2 1212 113 LYS HB3 H 1.27 0.03 2 1213 113 LYS CG C 25.38 0.3 1 1214 113 LYS HG2 H 1.12 0.03 2 1215 113 LYS HG3 H 0.64 0.03 2 1216 113 LYS CD C 29.58 0.3 1 1217 113 LYS HD2 H 1.59 0.03 2 1218 113 LYS HD3 H 1.52 0.03 2 1219 113 LYS CE C 42.18 0.3 1 1220 113 LYS HE2 H 2.94 0.03 1 1221 113 LYS HE3 H 2.94 0.03 1 1222 113 LYS C C 177.27 0.3 1 1223 114 TYR N N 114.34 0.3 1 1224 114 TYR H H 6.78 0.03 1 1225 114 TYR CA C 57.28 0.3 1 1226 114 TYR HA H 4.64 0.03 1 1227 114 TYR CB C 40.58 0.3 1 1228 114 TYR HB2 H 3.23 0.03 2 1229 114 TYR HB3 H 2.00 0.03 2 1230 114 TYR HD1 H 6.82 0.03 1 1231 114 TYR HD2 H 6.82 0.03 1 1232 114 TYR CD1 C 133.28 0.3 1 1233 114 TYR C C 173.77 0.3 1 1234 115 LYS N N 122.14 0.3 1 1235 115 LYS H H 7.00 0.03 1 1236 115 LYS CA C 56.88 0.3 1 1237 115 LYS HA H 4.51 0.03 1 1238 115 LYS CB C 33.08 0.3 1 1239 115 LYS HB2 H 1.82 0.03 2 1240 115 LYS HB3 H 1.48 0.03 2 1241 115 LYS CG C 23.88 0.3 1 1242 115 LYS CD C 29.58 0.3 1 1243 115 LYS CE C 42.08 0.3 1 1244 115 LYS HE2 H 3.09 0.03 2 1245 115 LYS HE3 H 2.95 0.03 2 1246 115 LYS C C 175.77 0.3 1 1247 116 ARG N N 127.54 0.3 1 1248 116 ARG H H 9.19 0.03 1 1249 116 ARG CA C 53.38 0.3 1 1250 116 ARG HA H 4.55 0.03 1 1251 116 ARG CB C 32.88 0.3 1 1252 116 ARG HB2 H 1.90 0.03 2 1253 116 ARG HB3 H 1.51 0.03 2 1254 116 ARG CG C 27.08 0.3 1 1255 116 ARG HG2 H 1.55 0.03 1 1256 116 ARG HG3 H 1.55 0.03 1 1257 116 ARG CD C 43.08 0.3 1 1258 116 ARG HD2 H 3.36 0.03 2 1259 116 ARG HD3 H 3.23 0.03 2 1260 116 ARG C C 172.97 0.3 1 1261 117 PHE N N 114.84 0.3 1 1262 117 PHE H H 8.47 0.03 1 1263 117 PHE CA C 56.68 0.3 1 1264 117 PHE HA H 5.62 0.03 1 1265 117 PHE CB C 42.58 0.3 1 1266 117 PHE HB2 H 2.77 0.03 2 1267 117 PHE HB3 H 2.52 0.03 2 1268 117 PHE HD1 H 6.95 0.03 1 1269 117 PHE HD2 H 6.95 0.03 1 1270 117 PHE HE1 H 7.27 0.03 1 1271 117 PHE HE2 H 7.27 0.03 1 1272 117 PHE CD1 C 132.08 0.3 1 1275 118 VAL H H 9.26 0.03 1 1276 118 VAL CA C 60.18 0.3 1 1277 118 VAL HA H 4.39 0.03 1 1278 118 VAL CB C 34.48 0.3 1 1279 118 VAL HB H 1.89 0.03 1 1280 118 VAL HG1 H 0.86 0.03 2 1281 118 VAL HG2 H 0.91 0.03 2 1282 118 VAL CG1 C 21.78 0.3 1 1283 118 VAL CG2 C 21.88 0.3 1 1284 118 VAL C C 174.97 0.3 1 1285 119 GLU N N 127.74 0.3 1 1286 119 GLU H H 8.85 0.03 1 1287 119 GLU CA C 54.78 0.3 1 1288 119 GLU HA H 5.39 0.03 1 1290 119 GLU HB2 H 2.04 0.03 2 1291 119 GLU HB3 H 1.92 0.03 2 1292 119 GLU CG C 36.78 0.3 1 1293 119 GLU HG2 H 2.19 0.03 2 1294 119 GLU HG3 H 2.06 0.03 2 1295 119 GLU C C 176.07 0.3 1 1296 120 THR N N 121.14 0.3 1 1297 120 THR H H 8.56 0.03 1 1298 120 THR CA C 60.98 0.3 1 1299 120 THR HA H 4.64 0.03 1 1300 120 THR CB C 69.18 0.3 1 1301 120 THR HB H 4.10 0.03 1 1302 120 THR HG2 H 1.06 0.03 1 1303 120 THR CG2 C 19.28 0.3 1 1304 121 HIS CA C 57.78 0.3 1 1305 121 HIS HA H 3.98 0.03 1 1306 121 HIS CB C 28.28 0.3 1 1307 121 HIS HB2 H 3.34 0.03 2 1308 121 HIS HB3 H 2.91 0.03 2 1309 121 HIS C C 175.27 0.3 1 1310 122 GLY N N 103.64 0.3 1 1311 122 GLY H H 8.75 0.03 1 1312 122 GLY CA C 45.78 0.3 1 1313 122 GLY HA2 H 4.13 0.03 2 1314 122 GLY HA3 H 3.67 0.03 2 1317 123 MET H H 8.18 0.03 1 1318 123 MET CA C 54.78 0.3 1 1319 123 MET HA H 4.12 0.03 1 1320 123 MET CB C 37.08 0.3 1 1321 123 MET HB2 H 1.93 0.03 1 1322 123 MET HB3 H 1.93 0.03 1 1323 123 MET CG C 32.58 0.3 1 1324 123 MET HG2 H 2.28 0.03 1 1325 123 MET HG3 H 2.28 0.03 1 1326 123 MET C C 174.17 0.3 1 1327 124 LYS N N 121.44 0.3 1 1328 124 LYS H H 7.17 0.03 1 1329 124 LYS CA C 55.18 0.3 1 1330 124 LYS HA H 4.64 0.03 1 1331 124 LYS CB C 32.68 0.3 1 1332 124 LYS HB2 H 1.76 0.03 1 1333 124 LYS HB3 H 1.76 0.03 1 1334 124 LYS CG C 25.88 0.3 1 1335 124 LYS HG2 H 1.25 0.03 2 1336 124 LYS HG3 H 1.17 0.03 2 1337 124 LYS CD C 29.68 0.3 1 1338 124 LYS HD2 H 1.45 0.03 1 1339 124 LYS HD3 H 1.45 0.03 1 1340 124 LYS CE C 41.78 0.3 1 1341 124 LYS HE2 H 2.56 0.03 2 1342 124 LYS HE3 H 2.36 0.03 2 1343 124 LYS C C 174.17 0.3 1 1344 125 ILE N N 126.84 0.3 1 1345 125 ILE H H 9.04 0.03 1 1346 125 ILE CA C 56.88 0.3 1 1347 125 ILE HA H 4.52 0.03 1 1348 125 ILE CB C 39.08 0.3 1 1349 125 ILE HB H 2.18 0.03 1 1350 125 ILE HG2 H 0.83 0.03 1 1351 125 ILE CG2 C 17.38 0.3 1 1352 125 ILE CG1 C 27.58 0.3 1 1353 125 ILE HG12 H 1.41 0.03 1 1354 125 ILE HG13 H 1.41 0.03 1 1355 125 ILE HD1 H 0.85 0.03 1 1356 125 ILE CD1 C 12.48 0.3 1 1357 126 PRO CD C 51.48 0.3 1 1358 126 PRO CA C 61.28 0.3 1 1359 126 PRO HA H 4.62 0.03 1 1360 126 PRO CB C 32.38 0.3 1 1361 126 PRO HB2 H 1.89 0.03 1 1362 126 PRO HB3 H 1.89 0.03 1 1363 126 PRO HG2 H 2.27 0.03 2 1364 126 PRO HG3 H 1.57 0.03 2 1365 126 PRO HD2 H 2.87 0.03 1 1366 126 PRO HD3 H 2.87 0.03 1 1367 126 PRO C C 175.27 0.3 1 1368 127 VAL N N 116.94 0.3 1 1369 127 VAL H H 8.77 0.03 1 1370 127 VAL CA C 58.48 0.3 1 1371 127 VAL HA H 5.18 0.03 1 1372 127 VAL CB C 35.88 0.3 1 1373 127 VAL HB H 2.42 0.03 1 1374 127 VAL HG1 H 0.79 0.03 2 1375 127 VAL HG2 H 0.35 0.03 2 1376 127 VAL CG1 C 22.68 0.3 1 1377 127 VAL CG2 C 19.78 0.3 1 1378 127 VAL C C 173.77 0.3 1 1379 128 LEU N N 119.14 0.3 1 1380 128 LEU H H 8.13 0.03 1 1381 128 LEU CA C 53.08 0.3 1 1382 128 LEU HA H 4.82 0.03 1 1383 128 LEU CB C 43.88 0.3 1 1384 128 LEU HB2 H 1.80 0.03 2 1385 128 LEU HB3 H 1.57 0.03 2 1386 128 LEU CG C 26.58 0.3 1 1387 128 LEU HG H 1.57 0.03 1 1388 128 LEU HD1 H 0.78 0.03 2 1389 128 LEU HD2 H 0.72 0.03 2 1390 128 LEU CD1 C 24.98 0.3 1 1391 128 LEU CD2 C 24.98 0.3 1 1392 128 LEU C C 177.37 0.3 1 1393 129 SER N N 115.34 0.3 1 1394 129 SER H H 8.26 0.03 1 1395 129 SER CA C 57.88 0.3 1 1396 129 SER HA H 4.49 0.03 1 1397 129 SER CB C 63.88 0.3 1 1398 129 SER HB2 H 4.46 0.03 2 1399 129 SER HB3 H 4.08 0.03 2 1400 129 SER C C 175.67 0.3 1 1401 130 LEU N N 126.04 0.3 1 1402 130 LEU H H 9.12 0.03 1 1403 130 LEU CA C 57.28 0.3 1 1404 130 LEU HA H 4.01 0.03 1 1405 130 LEU CB C 42.08 0.3 1 1406 130 LEU HB2 H 1.96 0.03 2 1407 130 LEU HB3 H 1.28 0.03 2 1408 130 LEU CG C 27.08 0.3 1 1409 130 LEU HG H 1.83 0.03 1 1410 130 LEU HD1 H 0.73 0.03 2 1411 130 LEU HD2 H 0.75 0.03 2 1412 130 LEU CD1 C 26.88 0.3 1 1413 130 LEU CD2 C 24.38 0.3 1 1414 130 LEU C C 179.07 0.3 1 1415 131 GLU N N 117.34 0.3 1 1416 131 GLU H H 8.74 0.03 1 1417 131 GLU CA C 60.28 0.3 1 1418 131 GLU HA H 4.02 0.03 1 1419 131 GLU CB C 29.28 0.3 1 1420 131 GLU HB2 H 2.10 0.03 1 1421 131 GLU HB3 H 2.10 0.03 1 1422 131 GLU CG C 37.18 0.3 1 1423 131 GLU HG2 H 2.50 0.03 2 1424 131 GLU HG3 H 2.38 0.03 2 1425 131 GLU C C 179.17 0.3 1 1426 132 TYR N N 120.04 0.3 1 1427 132 TYR H H 7.60 0.03 1 1428 132 TYR CA C 61.48 0.3 1 1429 132 TYR HA H 3.95 0.03 1 1430 132 TYR CB C 38.08 0.3 1 1431 132 TYR HB2 H 3.05 0.03 2 1432 132 TYR HB3 H 2.70 0.03 2 1433 132 TYR HD1 H 6.35 0.03 1 1434 132 TYR HD2 H 6.35 0.03 1 1435 132 TYR HE1 H 6.47 0.03 1 1436 132 TYR HE2 H 6.47 0.03 1 1437 132 TYR CD1 C 132.68 0.3 1 1438 132 TYR C C 177.57 0.3 1 1439 133 GLU N N 118.84 0.3 1 1440 133 GLU H H 8.29 0.03 1 1441 133 GLU CA C 59.78 0.3 1 1442 133 GLU HA H 4.21 0.03 1 1443 133 GLU CB C 29.18 0.3 1 1444 133 GLU HB2 H 2.26 0.03 1 1445 133 GLU HB3 H 2.26 0.03 1 1446 133 GLU CG C 36.48 0.3 1 1447 133 GLU HG2 H 2.41 0.03 1 1448 133 GLU HG3 H 2.41 0.03 1 1449 133 GLU C C 178.37 0.3 1 1450 134 TYR N N 118.04 0.3 1 1451 134 TYR H H 8.46 0.03 1 1452 134 TYR CA C 61.38 0.3 1 1453 134 TYR HA H 4.03 0.03 1 1454 134 TYR CB C 38.08 0.3 1 1455 134 TYR HB2 H 3.03 0.03 1 1456 134 TYR HB3 H 3.03 0.03 1 1457 134 TYR HD1 H 7.19 0.03 1 1458 134 TYR HD2 H 7.19 0.03 1 1459 134 TYR HE1 H 6.75 0.03 1 1460 134 TYR HE2 H 6.75 0.03 1 1461 134 TYR CD1 C 133.28 0.3 1 1462 134 TYR C C 175.87 0.3 1 1463 135 GLN N N 116.04 0.3 1 1464 135 GLN H H 7.17 0.03 1 1465 135 GLN CA C 57.98 0.3 1 1466 135 GLN HA H 3.50 0.03 1 1467 135 GLN CB C 27.58 0.3 1 1468 135 GLN HB2 H 1.96 0.03 1 1469 135 GLN HB3 H 1.96 0.03 1 1470 135 GLN CG C 33.48 0.3 1 1471 135 GLN HG2 H 2.58 0.03 2 1472 135 GLN HG3 H 2.44 0.03 2 1473 135 GLN NE2 N 111.90 0.3 1 1474 135 GLN HE21 H 7.40 0.03 2 1475 135 GLN HE22 H 6.87 0.03 2 1476 135 GLN C C 178.97 0.3 1 1477 136 ALA N N 123.54 0.3 1 1478 136 ALA H H 8.40 0.03 1 1479 136 ALA CA C 54.98 0.3 1 1480 136 ALA HA H 3.78 0.03 1 1481 136 ALA HB H 1.11 0.03 1 1482 136 ALA CB C 17.88 0.3 1 1483 136 ALA C C 180.07 0.3 1 1484 137 TYR N N 117.74 0.3 1 1485 137 TYR H H 8.67 0.03 1 1486 137 TYR CA C 60.68 0.3 1 1487 137 TYR HA H 4.14 0.03 1 1488 137 TYR CB C 37.08 0.3 1 1489 137 TYR HB2 H 3.17 0.03 2 1490 137 TYR HB3 H 3.08 0.03 2 1491 137 TYR HD1 H 7.11 0.03 1 1492 137 TYR HD2 H 7.11 0.03 1 1493 137 TYR HE1 H 6.97 0.03 1 1494 137 TYR HE2 H 6.97 0.03 1 1495 137 TYR CD1 C 131.78 0.3 1 1496 137 TYR CE1 C 118.98 0.3 1 1497 137 TYR C C 179.17 0.3 1 1498 138 LEU N N 119.44 0.3 1 1499 138 LEU H H 7.86 0.03 1 1500 138 LEU CA C 57.78 0.3 1 1501 138 LEU HA H 3.80 0.03 1 1503 138 LEU HB2 H 1.56 0.03 2 1504 138 LEU HB3 H 1.36 0.03 2 1505 138 LEU CG C 26.58 0.3 1 1506 138 LEU HG H 1.30 0.03 1 1507 138 LEU HD1 H 0.60 0.03 2 1508 138 LEU HD2 H 0.70 0.03 2 1509 138 LEU CD1 C 24.78 0.3 1 1510 138 LEU CD2 C 23.68 0.3 1 1511 138 LEU C C 181.17 0.3 1 1512 139 LYS N N 120.54 0.3 1 1513 139 LYS H H 7.97 0.03 1 1514 139 LYS CA C 58.78 0.3 1 1515 139 LYS HA H 4.02 0.03 1 1516 139 LYS CB C 32.18 0.3 1 1517 139 LYS HB2 H 1.88 0.03 1 1518 139 LYS HB3 H 1.88 0.03 1 1519 139 LYS CG C 25.88 0.3 1 1520 139 LYS HG2 H 1.57 0.03 2 1521 139 LYS HG3 H 1.43 0.03 2 1522 139 LYS CD C 29.38 0.3 1 1523 139 LYS HD2 H 1.67 0.03 1 1524 139 LYS HD3 H 1.67 0.03 1 1525 139 LYS CE C 41.68 0.3 1 1526 139 LYS HE2 H 2.93 0.03 1 1527 139 LYS HE3 H 2.93 0.03 1 1528 139 LYS C C 178.47 0.3 1 1529 140 LEU N N 116.74 0.3 1 1530 140 LEU H H 7.75 0.03 1 1531 140 LEU CA C 54.78 0.3 1 1532 140 LEU HA H 4.29 0.03 1 1533 140 LEU CB C 43.08 0.3 1 1534 140 LEU HB2 H 1.64 0.03 1 1535 140 LEU HB3 H 1.64 0.03 1 1536 140 LEU CG C 27.58 0.3 1 1537 140 LEU HG H 1.52 0.03 1 1538 140 LEU HD1 H 0.77 0.03 2 1539 140 LEU HD2 H 0.84 0.03 2 1540 140 LEU CD1 C 25.58 0.3 1 1541 140 LEU CD2 C 23.48 0.3 1 1542 140 LEU C C 177.07 0.3 1 1544 141 GLY H H 7.82 0.03 1 1545 141 GLY CA C 45.98 0.3 1 1546 141 GLY HA2 H 4.18 0.03 2 1547 141 GLY HA3 H 3.81 0.03 2 1548 141 GLY C C 175.67 0.3 1 1549 142 ARG N N 123.34 0.3 1 1550 142 ARG H H 8.29 0.03 1 1551 142 ARG CA C 53.98 0.3 1 1552 142 ARG HA H 4.69 0.03 1 1553 142 ARG CB C 27.88 0.3 1 1554 142 ARG HB2 H 1.93 0.03 2 1555 142 ARG HB3 H 1.75 0.03 2 1556 142 ARG CG C 26.78 0.3 1 1557 142 ARG HG2 H 1.59 0.03 1 1558 142 ARG HG3 H 1.59 0.03 1 1559 142 ARG CD C 43.58 0.3 1 1560 142 ARG HD2 H 2.99 0.03 2 1561 142 ARG HD3 H 2.81 0.03 2 1562 142 ARG C C 176.77 0.3 1 1563 143 VAL N N 117.94 0.3 1 1564 143 VAL H H 7.52 0.03 1 1565 143 VAL CA C 66.18 0.3 1 1566 143 VAL HA H 3.53 0.03 1 1567 143 VAL CB C 31.88 0.3 1 1568 143 VAL HB H 2.11 0.03 1 1569 143 VAL HG1 H 0.97 0.03 2 1570 143 VAL HG2 H 1.01 0.03 2 1571 143 VAL CG1 C 21.88 0.3 1 1572 143 VAL CG2 C 21.08 0.3 1 1573 143 VAL C C 177.87 0.3 1 1574 144 GLU H H 8.74 0.03 1 1575 144 GLU CA C 59.48 0.3 1 1576 144 GLU HA H 4.18 0.03 1 1577 144 GLU CB C 28.78 0.3 1 1578 144 GLU HB2 H 2.13 0.03 1 1579 144 GLU HB3 H 2.13 0.03 1 1580 144 GLU CG C 36.68 0.3 1 1581 144 GLU HG2 H 2.34 0.03 1 1582 144 GLU HG3 H 2.34 0.03 1 1583 144 GLU C C 179.87 0.3 1 1584 145 LYS N N 119.84 0.3 1 1585 145 LYS H H 7.94 0.03 1 1586 145 LYS CA C 58.08 0.3 1 1587 145 LYS HA H 4.06 0.03 1 1588 145 LYS CB C 32.38 0.3 1 1589 145 LYS HB2 H 1.54 0.03 2 1590 145 LYS HB3 H 1.33 0.03 2 1591 145 LYS CG C 26.38 0.3 1 1592 145 LYS HG2 H 1.50 0.03 2 1593 145 LYS HG3 H 1.41 0.03 2 1594 145 LYS HD2 H 1.55 0.03 1 1595 145 LYS HD3 H 1.55 0.03 1 1596 145 LYS CE C 42.18 0.3 1 1597 145 LYS HE2 H 3.00 0.03 1 1598 145 LYS HE3 H 3.00 0.03 1 1599 145 LYS C C 178.97 0.3 1 1600 146 ALA N N 119.84 0.3 1 1601 146 ALA H H 8.21 0.03 1 1602 146 ALA CA C 55.48 0.3 1 1603 146 ALA HA H 4.13 0.03 1 1604 146 ALA HB H 1.52 0.03 1 1605 146 ALA CB C 18.48 0.3 1 1606 146 ALA C C 179.17 0.3 1 1607 147 GLU N N 117.94 0.3 1 1608 147 GLU H H 8.31 0.03 1 1609 147 GLU CA C 58.88 0.3 1 1610 147 GLU HA H 4.31 0.03 1 1611 147 GLU CB C 29.08 0.3 1 1612 147 GLU HB2 H 2.26 0.03 2 1613 147 GLU HB3 H 2.11 0.03 2 1614 147 GLU CG C 36.08 0.3 1 1615 147 GLU HG2 H 2.43 0.03 2 1616 147 GLU HG3 H 2.37 0.03 2 1617 147 GLU C C 178.77 0.3 1 1618 148 THR N N 116.24 0.3 1 1619 148 THR H H 7.78 0.03 1 1620 148 THR CA C 66.28 0.3 1 1621 148 THR HA H 3.90 0.03 1 1622 148 THR CB C 68.48 0.3 1 1623 148 THR HB H 4.23 0.03 1 1624 148 THR HG2 H 1.10 0.03 1 1625 148 THR CG2 C 21.58 0.3 1 1626 148 THR C C 176.67 0.3 1 1627 149 LEU N N 120.24 0.3 1 1628 149 LEU H H 7.48 0.03 1 1629 149 LEU CA C 57.38 0.3 1 1630 149 LEU HA H 4.00 0.03 1 1631 149 LEU CB C 42.18 0.3 1 1632 149 LEU HB2 H 1.95 0.03 2 1633 149 LEU HB3 H 1.33 0.03 2 1634 149 LEU CG C 26.78 0.3 1 1635 149 LEU HG H 1.41 0.03 1 1636 149 LEU HD1 H 0.46 0.03 2 1637 149 LEU HD2 H 0.13 0.03 2 1638 149 LEU CD1 C 24.88 0.3 1 1639 149 LEU CD2 C 23.08 0.3 1 1640 149 LEU C C 177.67 0.3 1 1641 150 ARG N N 120.34 0.3 1 1642 150 ARG H H 8.70 0.03 1 1643 150 ARG CA C 59.28 0.3 1 1644 150 ARG HA H 3.31 0.03 1 1645 150 ARG CB C 30.38 0.3 1 1646 150 ARG HB2 H 1.91 0.03 1 1647 150 ARG HB3 H 1.91 0.03 1 1648 150 ARG CG C 26.28 0.3 1 1649 150 ARG HG2 H 1.37 0.03 2 1650 150 ARG HG3 H 1.32 0.03 2 1651 150 ARG CD C 43.08 0.3 1 1652 150 ARG HD2 H 3.11 0.03 1 1653 150 ARG HD3 H 3.11 0.03 1 1654 150 ARG C C 178.77 0.3 1 1655 151 LYS N N 116.94 0.3 1 1656 151 LYS H H 8.10 0.03 1 1657 151 LYS CA C 59.38 0.3 1 1658 151 LYS HA H 3.90 0.03 1 1659 151 LYS CB C 32.48 0.3 1 1660 151 LYS HB2 H 1.86 0.03 1 1661 151 LYS HB3 H 1.86 0.03 1 1662 151 LYS CG C 25.98 0.3 1 1663 151 LYS HG2 H 1.56 0.03 2 1664 151 LYS HG3 H 1.36 0.03 2 1665 151 LYS CD C 29.48 0.3 1 1666 151 LYS HD2 H 1.70 0.03 1 1667 151 LYS HD3 H 1.70 0.03 1 1668 151 LYS CE C 42.08 0.3 1 1669 151 LYS HE2 H 2.99 0.03 1 1670 151 LYS HE3 H 2.99 0.03 1 1671 151 LYS C C 178.67 0.3 1 1672 152 TRP N N 119.74 0.3 1 1673 152 TRP H H 7.54 0.03 1 1674 152 TRP CA C 60.28 0.3 1 1675 152 TRP HA H 4.26 0.03 1 1676 152 TRP CB C 29.38 0.3 1 1677 152 TRP HB2 H 3.29 0.03 1 1678 152 TRP HB3 H 3.29 0.03 1 1679 152 TRP CD1 C 126.18 0.3 1 1680 152 TRP NE1 N 128.60 0.3 1 1681 152 TRP HD1 H 7.07 0.03 1 1682 152 TRP CZ2 C 114.68 0.3 1 1683 152 TRP HE1 H 9.95 0.03 1 1684 152 TRP HZ2 H 7.39 0.03 1 1685 152 TRP C C 178.67 0.3 1 1686 153 LEU N N 118.34 0.3 1 1687 153 LEU H H 8.72 0.03 1 1688 153 LEU CA C 57.18 0.3 1 1689 153 LEU HA H 3.85 0.03 1 1690 153 LEU CB C 41.98 0.3 1 1691 153 LEU HB2 H 1.76 0.03 2 1692 153 LEU HB3 H 1.34 0.03 2 1693 153 LEU CG C 27.58 0.3 1 1694 153 LEU HG H 1.84 0.03 1 1695 153 LEU HD1 H 0.57 0.03 2 1696 153 LEU HD2 H 0.95 0.03 2 1697 153 LEU CD1 C 25.48 0.3 1 1698 153 LEU CD2 C 23.48 0.3 1 1701 154 ASN H H 8.21 0.03 1 1703 154 ASN HA H 4.49 0.03 1 1705 154 ASN HB2 H 2.83 0.03 1 1706 154 ASN HB3 H 2.83 0.03 1 1709 155 GLU H H 7.74 0.03 1 1711 155 GLU HA H 4.17 0.03 1 1713 155 GLU HB2 H 1.98 0.03 1 1714 155 GLU HB3 H 1.98 0.03 1 1715 155 GLU CG C 36.28 0.3 1 1716 155 GLU HG2 H 2.35 0.03 2 1717 155 GLU HG3 H 2.23 0.03 2 1720 156 ARG H H 7.64 0.03 1 1722 156 ARG HA H 4.04 0.03 1 1724 156 ARG HB2 H 1.65 0.03 2 1725 156 ARG HB3 H 1.46 0.03 2 1726 156 ARG CG C 26.38 0.3 1 1727 156 ARG HG2 H 1.31 0.03 2 1728 156 ARG HG3 H 1.25 0.03 2 1729 156 ARG CD C 43.08 0.3 1 1730 156 ARG HD2 H 2.73 0.03 1 1731 156 ARG HD3 H 2.73 0.03 1 stop_ save_