data_6120 #Corrected using PDB structure: 1T17A # #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 # 3 R HA 5.46 4.59 # 14 P HA 4.08 4.80 # 18 F HA 2.82 3.52 # 24 V HA 2.63 3.74 # 31 V HA 4.16 3.05 # 40 W HA 4.85 4.11 # 50 T HA 5.90 5.13 # 57 V HA 5.45 4.13 # 61 F HA 4.70 3.60 # 74 K HA 3.42 4.27 # 77 R HA 2.91 4.04 # 78 S HA 5.65 4.94 # 88 F HA 4.79 3.66 # 99 P HA 3.87 4.85 #111 E HA 5.59 4.59 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 1 M CB 43.25 33.44 #137 C CB 26.55 31.68 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 29 K N 129.67 118.35 # 42 G N 104.57 117.45 # 95 W N 120.17 132.01 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted # 61 F H 6.45 8.55 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.05 0.13 0.35 -0.02 -0.73 -0.02 # #bmr6120.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr6120.str file): #HA CA CB CO N HN #N/A +0.24 +0.24 -0.02 -0.73 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.14 +/-0.19 +/-0.13 +/-0.36 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.759 0.959 0.989 0.846 0.760 0.599 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.178 0.816 1.076 0.772 2.086 0.348 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H\, 13C\, and 15N Chemical Shift Assignments for NESG target CcR19 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shen Yang . . 2 Hanudatta Atreya Sas . 3 Xiao Rong . . 4 Acton Thomas B . 5 Szyperski Thomas . . stop_ _BMRB_accession_number 6120 _BMRB_flat_file_name bmr6120.str _Entry_type new _Submission_date 2004-02-24 _Accession_date 2004-03-02 _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' 808 '15N chemical shifts' 144 '13C chemical shifts' 589 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Letter to the Editor: Resonance assignments for the 18 kDa protein CC1736 from Caulobacter crescentus. ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 11259647 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shen Yang . . 2 Hanudatta Atreya Sas . 3 Xiao Rong . . 4 Acton Thomas B. . 5 Shastry Ritu . . 6 Ma LiChung . . 7 Montelione Gaetano T. . 8 Szyperski Thomas . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 29 _Journal_issue 4 _Page_first 549 _Page_last 550 _Year 2004 save_ ################################## # Molecular system description # ################################## save__system_CC1736 _Saveframe_category molecular_system _Mol_system_name "Hypothetical protein CC1736" _Abbreviation_common "CC1736" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "CC1736" $CC1736 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' save_ ######################## # Monomeric polymers # ######################## save_CC1736 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Hypothetical protein CC1736" _Name_variant . _Abbreviation_common "CC1736" _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MHRHVVTKVLPYTPDQLFEL VGDVDAYPKFVPWITGMRTW NGRVDGAVSTVDAEAQVGFS FLREKFATRVRRDKDARSID VSLLYGPFKRLNNGWRFMPE GDATRVEFVIEFAFKSALLD AMLAANVDRAAGKLIACFEA RAQQLHGA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 ARG 4 HIS 5 VAL 6 VAL 7 THR 8 LYS 9 VAL 10 LEU 11 PRO 12 TYR 13 THR 14 PRO 15 ASP 16 GLN 17 LEU 18 PHE 19 GLU 20 LEU 21 VAL 22 GLY 23 ASP 24 VAL 25 ASP 26 ALA 27 TYR 28 PRO 29 LYS 30 PHE 31 VAL 32 PRO 33 TRP 34 ILE 35 THR 36 GLY 37 MET 38 ARG 39 THR 40 TRP 41 ASN 42 GLY 43 ARG 44 VAL 45 ASP 46 GLY 47 ALA 48 VAL 49 SER 50 THR 51 VAL 52 ASP 53 ALA 54 GLU 55 ALA 56 GLN 57 VAL 58 GLY 59 PHE 60 SER 61 PHE 62 LEU 63 ARG 64 GLU 65 LYS 66 PHE 67 ALA 68 THR 69 ARG 70 VAL 71 ARG 72 ARG 73 ASP 74 LYS 75 ASP 76 ALA 77 ARG 78 SER 79 ILE 80 ASP 81 VAL 82 SER 83 LEU 84 LEU 85 TYR 86 GLY 87 PRO 88 PHE 89 LYS 90 ARG 91 LEU 92 ASN 93 ASN 94 GLY 95 TRP 96 ARG 97 PHE 98 MET 99 PRO 100 GLU 101 GLY 102 ASP 103 ALA 104 THR 105 ARG 106 VAL 107 GLU 108 PHE 109 VAL 110 ILE 111 GLU 112 PHE 113 ALA 114 PHE 115 LYS 116 SER 117 ALA 118 LEU 119 LEU 120 ASP 121 ALA 122 MET 123 LEU 124 ALA 125 ALA 126 ASN 127 VAL 128 ASP 129 ARG 130 ALA 131 ALA 132 GLY 133 LYS 134 LEU 135 ILE 136 ALA 137 CYS 138 PHE 139 GLU 140 ALA 141 ARG 142 ALA 143 GLN 144 GLN 145 LEU 146 HIS 147 GLY 148 ALA stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-29 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 GenBank AAK23712.1 "conserved hypothetical protein[Caulobacter crescentus CB15]" 100.00 148 100 100 2e-81 PIR D87464 "conserved hypothetical protein CC1736[imported] - Caulobacter crescentus" 100.00 148 100 100 2e-81 REF NP_420544.1 "conserved hypothetical protein[Caulobacter crescentus CB15]" 100.00 148 100 100 2e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CC1736 190650 "Caulobacter crescentus CB15" Bacteria . Caulobacter vibrioides 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 $CC1736 'obtained from vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CC1736 1.1 mM . . "[U-13C; U-15N]" D2O 5 % . . . NaN3 0.02 % . . . DTT 10 mM . . . CaCl2 5 mM . . . NaCl 100 mM . . . MES 20 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H15N HSQC 1H13C HSQC CBCAcoNH HNCACB HNCA CAcoNH RD-HNCAHA RD-HCCHCOSY ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "CC1736" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET CA C 54.64 . 1 2 1 MET HA H 4.17 . 1 3 1 MET CB C 43.14 . 1 4 1 MET HB2 H 1.32 . 2 5 1 MET HB3 H 1.49 . 2 6 1 MET CG C 27.04 . 1 7 1 MET HG2 H 1.31 . 1 8 1 MET HG3 H 1.31 . 1 9 1 MET C C 175.28 . 1 10 2 HIS N N 123.27 . 1 11 2 HIS H H 8.15 . 1 12 2 HIS CA C 55.24 . 1 13 2 HIS HA H 4.50 . 1 14 2 HIS CB C 30.44 . 1 15 2 HIS HB2 H 2.53 . 1 16 2 HIS HB3 H 2.53 . 1 17 2 HIS CD2 C 121.34 . 1 18 2 HIS HD2 H 6.89 . 1 19 2 HIS C C 173.48 . 1 20 3 ARG N N 121.67 . 1 21 3 ARG H H 8.48 . 1 22 3 ARG CA C 54.44 . 1 23 3 ARG HA H 5.51 . 1 24 3 ARG CB C 33.54 . 1 25 3 ARG HB2 H 1.69 . 2 26 3 ARG HB3 H 1.53 . 2 27 3 ARG CG C 28.34 . 1 28 3 ARG HG2 H 1.46 . 2 29 3 ARG HG3 H 1.35 . 2 30 4 HIS N N 124.37 . 1 31 4 HIS H H 9.09 . 1 32 4 HIS CA C 56.04 . 1 33 4 HIS HA H 4.95 . 1 34 4 HIS CB C 35.14 . 1 35 4 HIS HB2 H 2.90 . 2 36 4 HIS HB3 H 2.85 . 2 37 4 HIS CD2 C 119.54 . 1 38 4 HIS HD2 H 6.41 . 1 39 4 HIS C C 172.38 . 1 40 5 VAL N N 123.17 . 1 41 5 VAL H H 7.61 . 1 42 5 VAL CA C 60.34 . 1 43 5 VAL HA H 5.05 . 1 44 5 VAL CB C 34.64 . 1 45 5 VAL HB H 1.83 . 1 46 5 VAL HG1 H 0.81 . 2 47 5 VAL HG2 H 0.84 . 2 48 5 VAL CG1 C 20.84 . 1 49 5 VAL CG2 C 20.84 . 1 50 5 VAL C C 174.68 . 1 51 6 VAL N N 124.87 . 1 52 6 VAL H H 9.16 . 1 53 6 VAL CA C 61.14 . 1 54 6 VAL HA H 4.35 . 1 55 6 VAL CB C 35.94 . 1 56 6 VAL HB H 1.82 . 1 57 6 VAL HG1 H 0.90 . 1 58 6 VAL HG2 H 0.84 . 1 59 6 VAL CG1 C 21.74 . 1 60 6 VAL CG2 C 20.84 . 1 61 6 VAL C C 173.48 . 1 62 7 THR N N 118.97 . 1 63 7 THR H H 8.31 . 1 64 7 THR CA C 59.74 . 1 65 7 THR HA H 5.65 . 1 66 7 THR CB C 71.04 . 1 67 7 THR HB H 3.91 . 1 68 7 THR HG2 H 1.13 . 1 69 7 THR CG2 C 21.14 . 1 70 7 THR C C 173.88 . 1 71 8 LYS N N 123.77 . 1 72 8 LYS H H 8.81 . 1 73 8 LYS CA C 55.04 . 1 74 8 LYS HA H 4.66 . 1 75 8 LYS CB C 37.24 . 1 76 8 LYS HB2 H 1.64 . 2 77 8 LYS HB3 H 1.72 . 2 78 8 LYS CG C 25.14 . 1 79 8 LYS HG2 H 1.41 . 1 80 8 LYS HG3 H 1.41 . 1 81 8 LYS CD C 29.34 . 1 82 8 LYS HD2 H 1.74 . 1 83 8 LYS HD3 H 1.74 . 1 84 8 LYS C C 173.88 . 1 85 9 VAL N N 124.37 . 1 86 9 VAL H H 8.69 . 1 87 9 VAL CA C 61.84 . 1 88 9 VAL HA H 5.22 . 1 89 9 VAL CB C 32.14 . 1 90 9 VAL HB H 1.93 . 1 91 9 VAL HG1 H 0.89 . 2 92 9 VAL HG2 H 0.78 . 2 93 9 VAL CG1 C 21.64 . 1 94 9 VAL CG2 C 21.34 . 1 95 9 VAL C C 175.98 . 1 96 10 LEU N N 127.47 . 1 97 10 LEU H H 9.43 . 1 98 10 LEU CA C 51.34 . 1 99 10 LEU HA H 5.19 . 1 100 10 LEU CB C 46.34 . 1 101 10 LEU HB2 H 1.80 . 2 102 10 LEU HB3 H 1.68 . 2 103 10 LEU CG C 28.44 . 1 104 10 LEU HG H 1.86 . 1 105 10 LEU HD1 H 1.09 . 2 106 10 LEU HD2 H 0.99 . 2 107 10 LEU CD1 C 24.74 . 1 108 10 LEU CD2 C 25.14 . 1 109 11 PRO CA C 63.04 . 1 110 11 PRO HA H 4.62 . 1 111 11 PRO CB C 28.44 . 1 112 11 PRO HB2 H 2.13 . 2 113 11 PRO HB3 H 1.64 . 2 114 11 PRO HD2 H 3.55 . 2 115 11 PRO HD3 H 3.74 . 2 116 11 PRO C C 173.08 . 1 117 12 TYR N N 117.37 . 1 118 12 TYR H H 8.07 . 1 119 12 TYR CA C 56.64 . 1 120 12 TYR HA H 4.77 . 1 121 12 TYR CB C 42.04 . 1 122 12 TYR HB2 H 3.51 . 1 123 12 TYR HB3 H 3.51 . 1 124 12 TYR HD1 H 6.84 . 1 125 12 TYR HD2 H 6.84 . 1 126 12 TYR HE1 H 6.66 . 1 127 12 TYR HE2 H 6.66 . 1 128 12 TYR CD1 C 132.84 . 1 129 12 TYR CE1 C 117.74 . 1 130 12 TYR C C 174.88 . 1 131 13 THR N N 111.47 . 1 132 13 THR H H 8.48 . 1 133 13 THR CA C 60.44 . 1 134 13 THR HA H 4.55 . 1 135 13 THR CB C 68.04 . 1 136 13 THR HB H 4.60 . 1 137 13 THR HG2 H 1.20 . 1 138 13 THR CG2 C 21.74 . 1 139 14 PRO CA C 66.34 . 1 140 14 PRO HA H 4.13 . 1 141 14 PRO CB C 31.84 . 1 142 14 PRO HB2 H 2.11 . 1 143 14 PRO HB3 H 2.11 . 1 144 14 PRO CG C 33.04 . 1 145 14 PRO HG2 H 1.90 . 1 146 14 PRO HG3 H 1.90 . 1 147 14 PRO HD2 H 3.75 . 1 148 14 PRO HD3 H 3.75 . 1 149 14 PRO C C 178.68 . 1 150 15 ASP N N 112.57 . 1 151 15 ASP H H 7.97 . 1 152 15 ASP CA C 57.94 . 1 153 15 ASP HA H 4.36 . 1 154 15 ASP CB C 41.04 . 1 155 15 ASP HB2 H 2.36 . 1 156 15 ASP HB3 H 2.65 . 1 157 15 ASP C C 178.28 . 1 158 16 GLN N N 117.87 . 1 159 16 GLN H H 7.59 . 1 160 16 GLN CA C 58.54 . 1 161 16 GLN HA H 3.76 . 1 162 16 GLN CB C 28.14 . 1 163 16 GLN HB2 H 2.17 . 1 164 16 GLN HB3 H 2.35 . 1 165 16 GLN CG C 34.04 . 1 166 16 GLN HG2 H 2.52 . 2 167 16 GLN HG3 H 2.44 . 2 168 16 GLN C C 180.18 . 1 169 17 LEU N N 116.87 . 1 170 17 LEU H H 7.52 . 1 171 17 LEU CA C 57.34 . 1 172 17 LEU HA H 3.77 . 1 173 17 LEU CB C 42.44 . 1 174 17 LEU HB2 H 1.57 . 1 175 17 LEU HB3 H 1.60 . 1 176 17 LEU CG C 27.04 . 1 177 17 LEU HG H 1.64 . 1 178 17 LEU HD1 H 0.60 . 2 179 17 LEU HD2 H 1.10 . 2 180 17 LEU CD1 C 22.04 . 1 181 17 LEU CD2 C 23.44 . 1 182 17 LEU C C 175.98 . 1 183 18 PHE N N 119.57 . 1 184 18 PHE H H 8.12 . 1 185 18 PHE CA C 60.74 . 1 186 18 PHE HA H 2.87 . 1 187 18 PHE CB C 39.64 . 1 188 18 PHE HB2 H 2.57 . 2 189 18 PHE HB3 H 2.85 . 2 190 18 PHE HD1 H 6.99 . 1 191 18 PHE HD2 H 6.99 . 1 192 18 PHE HE1 H 7.31 . 1 193 18 PHE HE2 H 7.31 . 1 194 18 PHE CD1 C 131.34 . 1 195 18 PHE CE1 C 131.84 . 1 196 18 PHE C C 177.28 . 1 197 19 GLU N N 116.37 . 1 198 19 GLU H H 7.90 . 1 199 19 GLU CA C 58.74 . 1 200 19 GLU HA H 3.50 . 1 201 19 GLU CB C 29.34 . 1 202 19 GLU HB2 H 1.90 . 1 203 19 GLU HB3 H 1.90 . 1 204 19 GLU CG C 36.84 . 1 205 19 GLU HG2 H 2.48 . 2 206 19 GLU HG3 H 2.28 . 2 207 19 GLU C C 178.08 . 1 208 20 LEU N N 117.97 . 1 209 20 LEU H H 7.10 . 1 210 20 LEU CA C 57.84 . 1 211 20 LEU HA H 4.11 . 1 212 20 LEU CB C 42.94 . 1 213 20 LEU HB2 H 1.73 . 1 214 20 LEU HB3 H 1.61 . 1 215 20 LEU CG C 26.54 . 1 216 20 LEU HG H 1.65 . 1 217 20 LEU HD2 H 0.67 . 2 218 20 LEU CD2 C 24.14 . 1 219 20 LEU C C 179.08 . 1 220 21 VAL N N 118.97 . 1 221 21 VAL H H 8.19 . 1 222 21 VAL CA C 65.34 . 1 223 21 VAL HA H 3.15 . 1 224 21 VAL CB C 30.24 . 1 225 21 VAL HB H 1.09 . 1 226 21 VAL HG1 H -0.25 . 1 227 21 VAL HG2 H -0.65 . 1 228 21 VAL CG1 C 20.84 . 1 229 21 VAL CG2 C 19.04 . 1 230 21 VAL C C 177.58 . 1 231 22 GLY N N 101.87 . 1 232 22 GLY H H 7.39 . 1 233 22 GLY CA C 45.74 . 1 234 22 GLY HA2 H 3.45 . 2 235 22 GLY HA3 H 3.31 . 2 236 22 GLY C C 173.78 . 1 237 23 ASP N N 120.07 . 1 238 23 ASP H H 7.01 . 1 239 23 ASP CA C 52.04 . 1 240 23 ASP HA H 4.79 . 1 241 23 ASP CB C 37.84 . 1 242 23 ASP HB2 H 3.15 . 1 243 23 ASP HB3 H 2.54 . 1 244 23 ASP C C 177.58 . 1 245 24 VAL N N 119.57 . 1 246 24 VAL H H 7.54 . 1 247 24 VAL CA C 63.44 . 1 248 24 VAL HA H 2.68 . 1 249 24 VAL CB C 30.84 . 1 250 24 VAL HB H 1.43 . 1 251 24 VAL HG1 H 0.58 . 1 252 24 VAL HG2 H 0.57 . 1 253 24 VAL CG1 C 19.44 . 1 254 24 VAL CG2 C 21.94 . 1 255 24 VAL C C 177.28 . 1 256 25 ASP N N 116.37 . 1 257 25 ASP H H 8.07 . 1 258 25 ASP CA C 56.94 . 1 259 25 ASP HA H 4.05 . 1 260 25 ASP CB C 41.54 . 1 261 25 ASP HB2 H 2.49 . 1 262 25 ASP HB3 H 2.49 . 1 263 25 ASP C C 176.88 . 1 264 26 ALA N N 115.77 . 1 265 26 ALA H H 7.20 . 1 266 26 ALA CA C 52.24 . 1 267 26 ALA HA H 4.39 . 1 268 26 ALA HB H 1.63 . 1 269 26 ALA CB C 19.94 . 1 270 26 ALA C C 178.28 . 1 271 27 TYR N N 117.37 . 1 272 27 TYR H H 7.76 . 1 273 27 TYR CA C 59.64 . 1 274 27 TYR HA H 3.99 . 1 275 27 TYR CB C 34.84 . 1 276 27 TYR HB2 H 2.57 . 2 277 27 TYR HB3 H 3.28 . 2 278 27 TYR HD1 H 6.90 . 1 279 27 TYR HD2 H 6.90 . 1 280 27 TYR HE1 H 6.82 . 1 281 27 TYR HE2 H 6.82 . 1 282 27 TYR CD1 C 130.74 . 1 283 27 TYR CE1 C 118.44 . 1 284 28 PRO CD C 50.54 . 1 285 28 PRO CA C 63.94 . 1 286 28 PRO HA H 4.55 . 1 287 28 PRO CB C 32.14 . 1 288 28 PRO HB2 H 2.10 . 2 289 28 PRO HB3 H 2.41 . 2 290 28 PRO CG C 27.94 . 1 291 28 PRO HG2 H 2.09 . 2 292 28 PRO HG3 H 2.31 . 2 293 28 PRO HD2 H 3.94 . 2 294 28 PRO HD3 H 3.90 . 2 295 28 PRO C C 177.48 . 1 296 29 LYS N N 129.67 . 1 297 29 LYS H H 7.93 . 1 298 29 LYS CA C 57.94 . 1 299 29 LYS HA H 4.15 . 1 300 29 LYS CB C 34.14 . 1 301 29 LYS HB2 H 1.50 . 2 302 29 LYS CG C 27.94 . 1 303 29 LYS HG2 H 1.61 . 2 304 30 PHE HD1 H 6.78 . 1 305 30 PHE HD2 H 6.78 . 1 306 30 PHE HE1 H 6.79 . 1 307 30 PHE HE2 H 6.79 . 1 308 30 PHE CE1 C 132.94 . 1 309 31 VAL N N 124.37 . 1 310 31 VAL H H 7.69 . 1 311 31 VAL CA C 59.84 . 1 312 31 VAL HA H 4.21 . 1 313 31 VAL CB C 31.34 . 1 314 31 VAL HB H 1.64 . 1 315 31 VAL HG1 H 0.75 . 2 316 31 VAL HG2 H -0.28 . 2 317 31 VAL CG1 C 22.44 . 1 318 31 VAL CG2 C 20.64 . 1 319 32 PRO CD C 50.54 . 1 320 32 PRO CA C 65.44 . 1 321 32 PRO HA H 4.30 . 1 322 32 PRO CB C 31.04 . 1 323 32 PRO HB2 H 2.21 . 1 324 32 PRO HB3 H 2.21 . 1 325 32 PRO CG C 29.04 . 1 326 32 PRO HG2 H 1.53 . 1 327 32 PRO HG3 H 2.16 . 1 328 32 PRO HD2 H 3.58 . 2 329 32 PRO HD3 H 3.48 . 2 330 32 PRO C C 177.08 . 1 331 33 TRP N N 112.07 . 1 332 33 TRP H H 8.00 . 1 333 33 TRP CA C 57.84 . 1 334 33 TRP HA H 4.14 . 1 335 33 TRP CB C 32.14 . 1 336 33 TRP HB2 H 1.99 . 1 337 33 TRP HB3 H 2.21 . 1 338 33 TRP CD1 C 127.54 . 1 339 33 TRP CE3 C 118.54 . 1 340 33 TRP NE1 N 132.50 . 1 341 33 TRP HD1 H 7.24 . 1 342 33 TRP HE3 H 7.22 . 1 343 33 TRP CZ3 C 121.84 . 1 344 33 TRP CZ2 C 115.44 . 1 345 33 TRP HE1 H 10.62 . 1 346 33 TRP HZ3 H 7.01 . 1 347 33 TRP CH2 C 124.24 . 1 348 33 TRP HZ2 H 7.50 . 1 349 33 TRP HH2 H 7.08 . 1 350 34 ILE N N 116.87 . 1 351 34 ILE H H 7.37 . 1 352 34 ILE HA H 4.69 . 1 353 34 ILE CB C 38.74 . 1 354 34 ILE HB H 1.77 . 1 355 34 ILE HG2 H 0.94 . 1 356 34 ILE CG2 C 18.04 . 1 357 34 ILE CG1 C 27.94 . 1 358 34 ILE HG12 H 1.45 . 1 359 34 ILE HG13 H 1.45 . 1 360 34 ILE HD1 H 0.92 . 1 361 34 ILE CD1 C 13.94 . 1 362 34 ILE C C 174.58 . 1 363 35 THR N N 115.97 . 1 364 35 THR H H 8.68 . 1 365 35 THR CA C 61.64 . 1 366 35 THR HA H 4.34 . 1 367 35 THR CB C 68.64 . 1 368 35 THR HB H 4.25 . 1 369 35 THR HG2 H 0.98 . 1 370 35 THR CG2 C 21.74 . 1 371 35 THR C C 175.38 . 1 372 36 GLY N N 108.27 . 1 373 36 GLY H H 7.65 . 1 374 36 GLY CA C 45.74 . 1 375 36 GLY HA2 H 3.87 . 1 376 36 GLY HA3 H 4.21 . 1 377 36 GLY C C 170.58 . 1 378 37 MET N N 120.07 . 1 379 37 MET H H 8.40 . 1 380 37 MET CA C 54.14 . 1 381 37 MET HA H 5.43 . 1 382 37 MET CB C 34.74 . 1 383 37 MET HB2 H 1.96 . 2 384 37 MET HB3 H 1.78 . 2 385 37 MET CG C 31.64 . 1 386 37 MET HG2 H 2.18 . 2 387 37 MET HG3 H 2.63 . 2 388 37 MET C C 173.38 . 1 389 38 ARG N N 126.47 . 1 390 38 ARG H H 8.80 . 1 391 38 ARG CA C 55.34 . 1 392 38 ARG HA H 4.98 . 1 393 38 ARG CB C 34.94 . 1 394 38 ARG HB2 H 1.97 . 1 395 38 ARG HB3 H 1.90 . 1 396 38 ARG CG C 28.04 . 1 397 38 ARG HG2 H 1.77 . 2 398 38 ARG CD C 43.34 . 1 399 38 ARG C C 174.68 . 1 400 39 THR N N 113.07 . 1 401 39 THR H H 8.60 . 1 402 39 THR CA C 58.94 . 1 403 39 THR HA H 5.96 . 1 404 39 THR CB C 72.04 . 1 405 39 THR HB H 4.18 . 1 406 39 THR HG2 H 1.01 . 1 407 39 THR CG2 C 21.54 . 1 408 39 THR C C 174.78 . 1 409 40 TRP N N 121.17 . 1 410 40 TRP H H 9.23 . 1 411 40 TRP CA C 57.14 . 1 412 40 TRP HA H 4.90 . 1 413 40 TRP CB C 31.24 . 1 414 40 TRP HB2 H 3.52 . 1 415 40 TRP HB3 H 3.29 . 1 416 40 TRP CD1 C 128.04 . 1 417 40 TRP CE3 C 122.94 . 1 418 40 TRP NE1 N 128.30 . 1 419 40 TRP HD1 H 7.17 . 1 420 40 TRP HE3 H 7.07 . 1 421 40 TRP CZ3 C 121.54 . 1 422 40 TRP CZ2 C 114.14 . 1 423 40 TRP HE1 H 9.96 . 1 424 40 TRP HZ3 H 6.83 . 1 425 40 TRP CH2 C 123.74 . 1 426 40 TRP HZ2 H 7.46 . 1 427 40 TRP HH2 H 6.93 . 1 428 40 TRP C C 172.68 . 1 429 41 ASN N N 113.77 . 1 430 41 ASN H H 8.99 . 1 431 41 ASN CA C 53.34 . 1 432 41 ASN HA H 4.41 . 1 433 41 ASN CB C 37.54 . 1 434 41 ASN HB2 H 2.23 . 1 435 41 ASN HB3 H 2.84 . 1 436 41 ASN ND2 N 110.60 . 1 437 41 ASN HD21 H 6.69 . 2 438 41 ASN HD22 H 7.68 . 2 439 41 ASN C C 175.48 . 1 440 42 GLY N N 104.57 . 1 441 42 GLY H H 8.56 . 1 442 42 GLY CA C 45.94 . 1 443 42 GLY HA2 H 3.52 . 1 444 42 GLY HA3 H 4.76 . 1 445 42 GLY C C 174.98 . 1 446 43 ARG N N 123.77 . 1 447 43 ARG H H 9.01 . 1 448 43 ARG CA C 55.14 . 1 449 43 ARG HA H 4.66 . 1 450 43 ARG CB C 33.64 . 1 451 43 ARG HB2 H 1.70 . 2 452 43 ARG HB3 H 1.79 . 2 453 43 ARG CG C 26.54 . 1 454 43 ARG HG2 H 1.51 . 1 455 43 ARG HG3 H 1.51 . 1 456 43 ARG CD C 43.44 . 1 457 43 ARG HD2 H 3.14 . 1 458 43 ARG HD3 H 3.14 . 1 459 43 ARG C C 174.48 . 1 460 44 VAL N N 122.17 . 1 461 44 VAL H H 8.59 . 1 462 44 VAL CA C 61.64 . 1 463 44 VAL HA H 4.63 . 1 464 44 VAL CB C 34.44 . 1 465 44 VAL HB H 1.95 . 1 466 44 VAL HG1 H 0.92 . 1 467 44 VAL CG1 C 21.24 . 1 468 44 VAL C C 174.58 . 1 469 45 ASP N N 127.07 . 1 470 45 ASP H H 8.94 . 1 471 45 ASP CA C 53.04 . 1 472 45 ASP HA H 4.85 . 1 473 45 ASP CB C 42.34 . 1 474 45 ASP HB2 H 2.46 . 1 475 45 ASP HB3 H 2.68 . 1 476 45 ASP C C 175.88 . 1 477 46 GLY N N 114.77 . 1 478 46 GLY H H 8.97 . 1 479 46 GLY CA C 47.14 . 1 480 46 GLY HA2 H 3.60 . 2 481 46 GLY HA3 H 3.97 . 2 482 46 GLY C C 174.58 . 1 483 47 ALA N N 129.67 . 1 484 47 ALA H H 9.08 . 1 485 47 ALA CA C 52.84 . 1 486 47 ALA HA H 4.29 . 1 487 47 ALA HB H 1.47 . 1 488 47 ALA CB C 19.94 . 1 489 47 ALA C C 175.98 . 1 490 48 VAL N N 118.47 . 1 491 48 VAL H H 7.94 . 1 492 48 VAL CA C 61.24 . 1 493 48 VAL HA H 5.03 . 1 494 48 VAL CB C 32.74 . 1 495 48 VAL HB H 2.22 . 1 496 48 VAL HG1 H 0.83 . 1 497 48 VAL HG2 H 0.96 . 1 498 48 VAL CG1 C 22.04 . 1 499 48 VAL CG2 C 21.74 . 1 500 48 VAL C C 175.18 . 1 501 49 SER N N 122.17 . 1 502 49 SER H H 9.28 . 1 503 49 SER CA C 55.84 . 1 504 49 SER HA H 5.45 . 1 505 49 SER CB C 65.34 . 1 506 49 SER HB2 H 3.97 . 1 507 49 SER HB3 H 3.97 . 1 508 49 SER C C 174.48 . 1 509 50 THR N N 123.27 . 1 510 50 THR H H 9.22 . 1 511 50 THR CA C 60.24 . 1 512 50 THR HA H 5.95 . 1 513 50 THR CB C 71.04 . 1 514 50 THR HB H 3.87 . 1 515 50 THR HG2 H 1.19 . 1 516 50 THR CG2 C 21.54 . 1 517 50 THR C C 172.68 . 1 518 51 VAL N N 123.27 . 1 519 51 VAL H H 8.80 . 1 520 51 VAL CA C 61.14 . 1 521 51 VAL HA H 4.17 . 1 522 51 VAL CB C 35.44 . 1 523 51 VAL HB H 1.97 . 1 524 51 VAL HG1 H 0.92 . 1 525 51 VAL HG2 H 0.69 . 1 526 51 VAL CG1 C 21.74 . 1 527 51 VAL CG2 C 18.94 . 1 528 51 VAL C C 170.28 . 1 529 52 ASP N N 125.97 . 1 530 52 ASP H H 7.82 . 1 531 52 ASP CA C 53.24 . 1 532 52 ASP HA H 5.09 . 1 533 52 ASP CB C 38.84 . 1 534 52 ASP HB2 H 0.88 . 2 535 52 ASP HB3 H 0.67 . 2 536 52 ASP C C 173.98 . 1 537 53 ALA N N 122.27 . 1 538 53 ALA H H 8.82 . 1 539 53 ALA CA C 50.34 . 1 540 53 ALA HA H 5.24 . 1 541 53 ALA HB H 1.06 . 1 542 53 ALA CB C 22.64 . 1 543 53 ALA C C 175.58 . 1 544 54 GLU N N 123.37 . 1 545 54 GLU H H 9.60 . 1 546 54 GLU CA C 54.54 . 1 547 54 GLU HA H 5.16 . 1 548 54 GLU CB C 33.54 . 1 549 54 GLU HB2 H 2.28 . 1 550 54 GLU HB3 H 2.28 . 1 551 54 GLU CG C 38.64 . 1 552 54 GLU HG2 H 1.93 . 2 553 54 GLU HG3 H 2.06 . 2 554 54 GLU C C 173.98 . 1 555 55 ALA N N 130.27 . 1 556 55 ALA H H 8.86 . 1 557 55 ALA CA C 50.44 . 1 558 55 ALA HA H 5.11 . 1 559 55 ALA HB H 0.96 . 1 560 55 ALA CB C 22.74 . 1 561 55 ALA C C 174.78 . 1 562 56 GLN N N 117.47 . 1 563 56 GLN H H 7.97 . 1 564 56 GLN CA C 54.84 . 1 565 56 GLN HA H 4.70 . 1 566 56 GLN CB C 31.74 . 1 567 56 GLN HB2 H 1.69 . 2 568 56 GLN HB3 H 1.93 . 2 569 56 GLN CG C 34.44 . 1 570 56 GLN HG2 H 2.23 . 2 571 56 GLN HG3 H 2.20 . 2 572 56 GLN NE2 N 112.30 . 1 573 56 GLN HE21 H 6.85 . 2 574 56 GLN HE22 H 7.56 . 2 575 57 VAL H H 9.16 . 1 576 57 VAL CA C 59.14 . 1 577 57 VAL HA H 5.50 . 1 578 57 VAL CB C 34.94 . 1 579 57 VAL HB H 2.35 . 1 580 57 VAL HG1 H 1.17 . 1 581 57 VAL HG2 H 1.32 . 1 582 57 VAL CG1 C 22.64 . 1 583 57 VAL CG2 C 20.94 . 1 584 57 VAL C C 176.68 . 1 585 58 GLY N N 107.77 . 1 586 58 GLY H H 8.49 . 1 587 58 GLY CA C 46.24 . 1 588 58 GLY HA2 H 3.47 . 1 589 58 GLY HA3 H 3.47 . 1 590 60 SER CA C 61.04 . 1 591 60 SER HA H 4.01 . 1 592 60 SER CB C 62.64 . 1 593 60 SER HB2 H 3.94 . 1 594 60 SER HB3 H 3.94 . 1 595 60 SER C C 174.78 . 1 596 61 PHE N N 111.97 . 1 597 61 PHE H H 6.47 . 1 598 61 PHE CA C 55.44 . 1 599 61 PHE HA H 4.75 . 1 600 61 PHE CB C 41.94 . 1 601 61 PHE HB2 H 2.90 . 1 602 61 PHE HB3 H 2.90 . 1 603 61 PHE HD1 H 7.08 . 1 604 61 PHE HD2 H 7.08 . 1 605 61 PHE HE1 H 7.08 . 1 606 61 PHE HE2 H 7.08 . 1 607 61 PHE CD1 C 132.64 . 1 608 61 PHE C C 174.28 . 1 609 62 LEU N N 123.77 . 1 610 62 LEU H H 7.22 . 1 611 62 LEU CA C 55.04 . 1 612 62 LEU HA H 4.63 . 1 613 62 LEU CB C 43.44 . 1 614 62 LEU HB2 H 1.78 . 2 615 62 LEU HB3 H 1.27 . 2 616 62 LEU CG C 27.94 . 1 617 62 LEU HG H 1.70 . 1 618 62 LEU HD1 H 0.91 . 2 619 62 LEU HD2 H 0.94 . 2 620 62 LEU CD1 C 26.04 . 1 621 62 LEU CD2 C 25.14 . 1 622 62 LEU C C 173.38 . 1 623 63 ARG N N 122.17 . 1 624 63 ARG H H 8.54 . 1 625 63 ARG CA C 55.74 . 1 626 63 ARG HA H 4.74 . 1 627 63 ARG CB C 30.44 . 1 628 63 ARG HB2 H 1.94 . 2 629 63 ARG HB3 H 1.76 . 2 630 63 ARG CG C 26.94 . 1 631 63 ARG HG2 H 1.72 . 2 632 63 ARG HG3 H 1.65 . 2 633 63 ARG CD C 43.44 . 1 634 63 ARG HD2 H 3.22 . 2 635 63 ARG HD3 H 3.30 . 2 636 63 ARG C C 176.68 . 1 637 64 GLU N N 118.97 . 1 638 64 GLU H H 7.92 . 1 639 64 GLU CA C 56.34 . 1 640 64 GLU HA H 4.53 . 1 641 64 GLU CB C 32.54 . 1 642 64 GLU HB2 H 1.90 . 1 643 64 GLU HB3 H 2.15 . 1 644 64 GLU CG C 36.84 . 1 645 64 GLU HG2 H 2.46 . 2 646 64 GLU HG3 H 2.34 . 2 647 64 GLU C C 175.58 . 1 648 65 LYS N N 120.07 . 1 649 65 LYS H H 8.56 . 1 650 65 LYS CA C 56.54 . 1 651 65 LYS HA H 4.92 . 1 652 65 LYS CB C 34.54 . 1 653 65 LYS HB2 H 1.81 . 2 654 65 LYS HB3 H 1.75 . 2 655 65 LYS CG C 25.54 . 1 656 65 LYS HG2 H 1.54 . 2 657 65 LYS HG3 H 1.35 . 2 658 65 LYS CD C 29.44 . 1 659 65 LYS HD2 H 1.70 . 2 660 65 LYS HD3 H 1.65 . 2 661 65 LYS HE2 H 3.01 . 2 662 65 LYS C C 176.08 . 1 663 66 PHE N N 115.27 . 1 664 66 PHE H H 8.53 . 1 665 66 PHE CA C 55.64 . 1 666 66 PHE HA H 5.32 . 1 667 66 PHE CB C 42.44 . 1 668 66 PHE HB2 H 3.34 . 1 669 66 PHE HB3 H 3.47 . 1 670 66 PHE HD1 H 7.18 . 1 671 66 PHE HD2 H 7.18 . 1 672 66 PHE CD1 C 132.44 . 1 673 66 PHE C C 171.48 . 1 674 67 ALA N N 122.17 . 1 675 67 ALA H H 8.98 . 1 676 67 ALA CA C 50.04 . 1 677 67 ALA HA H 5.93 . 1 678 67 ALA HB H 0.81 . 1 679 67 ALA CB C 22.94 . 1 680 67 ALA C C 176.78 . 1 681 68 THR N N 110.97 . 1 682 68 THR H H 9.27 . 1 683 68 THR CA C 58.94 . 1 684 68 THR HA H 5.07 . 1 685 68 THR CB C 72.44 . 1 686 68 THR HB H 3.99 . 1 687 68 THR HG2 H 0.91 . 1 688 68 THR CG2 C 21.54 . 1 689 68 THR C C 171.48 . 1 690 69 ARG N N 122.17 . 1 691 69 ARG H H 9.15 . 1 692 69 ARG CA C 55.64 . 1 693 69 ARG HA H 5.02 . 1 694 69 ARG CB C 31.74 . 1 695 69 ARG HB2 H 1.53 . 1 696 69 ARG HB3 H 1.53 . 1 697 69 ARG CG C 29.44 . 1 698 69 ARG HG2 H 1.75 . 1 699 69 ARG HG3 H 1.75 . 1 700 69 ARG CD C 42.44 . 1 701 69 ARG HD2 H 2.99 . 1 702 69 ARG HD3 H 2.99 . 1 703 69 ARG C C 175.48 . 1 704 70 VAL N N 128.67 . 1 705 70 VAL H H 9.60 . 1 706 70 VAL CA C 62.24 . 1 707 70 VAL HA H 4.53 . 1 708 70 VAL CB C 32.84 . 1 709 70 VAL HB H 2.22 . 1 710 70 VAL HG1 H 0.70 . 2 711 70 VAL HG2 H 0.83 . 2 712 70 VAL CG1 C 20.34 . 1 713 70 VAL CG2 C 21.94 . 1 714 70 VAL C C 173.58 . 1 715 71 ARG N N 126.67 . 1 716 71 ARG H H 9.33 . 1 717 71 ARG CA C 55.34 . 1 718 71 ARG HA H 4.96 . 1 719 71 ARG CB C 32.84 . 1 720 71 ARG HB2 H 1.66 . 1 721 71 ARG HB3 H 1.98 . 1 722 71 ARG CG C 28.44 . 1 723 71 ARG HG2 H 1.38 . 2 724 71 ARG HG3 H 1.52 . 2 725 71 ARG CD C 43.74 . 1 726 71 ARG HD2 H 3.21 . 1 727 71 ARG HD3 H 3.21 . 1 728 71 ARG C C 175.98 . 1 729 72 ARG N N 127.07 . 1 730 72 ARG H H 9.14 . 1 731 72 ARG CA C 55.04 . 1 732 72 ARG HA H 5.23 . 1 733 72 ARG CB C 30.24 . 1 734 72 ARG HB2 H 1.76 . 2 735 72 ARG HB3 H 2.41 . 2 736 72 ARG CG C 27.14 . 1 737 72 ARG HG2 H 1.73 . 1 738 72 ARG HG3 H 1.73 . 1 739 72 ARG CD C 43.44 . 1 740 72 ARG HD2 H 3.22 . 1 741 72 ARG HD3 H 3.22 . 1 742 72 ARG C C 174.08 . 1 743 73 ASP N N 124.37 . 1 744 73 ASP H H 9.22 . 1 745 73 ASP CA C 52.94 . 1 746 73 ASP HA H 5.27 . 1 747 73 ASP CB C 42.54 . 1 748 73 ASP HB2 H 2.38 . 2 749 73 ASP HB3 H 3.42 . 2 750 73 ASP C C 176.28 . 1 751 74 LYS N N 123.77 . 1 752 74 LYS H H 8.85 . 1 753 74 LYS CA C 58.54 . 1 754 74 LYS HA H 3.47 . 1 755 74 LYS CB C 33.14 . 1 756 74 LYS HB2 H 1.96 . 1 757 74 LYS HB3 H 1.96 . 1 758 74 LYS CG C 24.74 . 1 759 74 LYS HG2 H 1.41 . 2 760 74 LYS HG3 H 1.61 . 2 761 74 LYS CD C 29.84 . 1 762 74 LYS HD2 H 1.71 . 2 763 74 LYS HD3 H 1.68 . 2 764 74 LYS HE2 H 2.98 . 1 765 74 LYS HE3 H 2.98 . 1 766 74 LYS C C 177.08 . 1 767 75 ASP N N 119.07 . 1 768 75 ASP H H 8.10 . 1 769 75 ASP CA C 56.44 . 1 770 75 ASP HA H 4.47 . 1 771 75 ASP CB C 40.44 . 1 772 75 ASP HB2 H 2.60 . 2 773 75 ASP HB3 H 2.73 . 2 774 75 ASP C C 177.58 . 1 775 76 ALA N N 120.07 . 1 776 76 ALA H H 7.45 . 1 777 76 ALA CA C 51.84 . 1 778 76 ALA HA H 4.16 . 1 779 76 ALA HB H 1.29 . 1 780 76 ALA CB C 19.04 . 1 781 76 ALA C C 177.58 . 1 782 77 ARG N N 114.77 . 1 783 77 ARG H H 7.77 . 1 784 77 ARG CA C 57.44 . 1 785 77 ARG HA H 2.96 . 1 786 77 ARG CB C 27.94 . 1 787 77 ARG HB2 H 1.68 . 2 788 77 ARG CG C 25.14 . 1 789 77 ARG HG2 H 1.96 . 2 790 77 ARG C C 173.48 . 1 791 78 SER N N 109.97 . 1 792 78 SER H H 8.04 . 1 793 78 SER CA C 55.94 . 1 794 78 SER HA H 5.70 . 1 795 78 SER CB C 67.44 . 1 796 78 SER HB2 H 3.66 . 1 797 78 SER HB3 H 4.13 . 1 798 78 SER C C 173.88 . 1 799 79 ILE N N 121.67 . 1 800 79 ILE H H 8.94 . 1 801 79 ILE CA C 60.84 . 1 802 79 ILE HA H 5.27 . 1 803 79 ILE CB C 41.54 . 1 804 79 ILE HB H 1.78 . 1 805 79 ILE HG2 H 0.72 . 1 806 79 ILE CG2 C 16.74 . 1 807 79 ILE CG1 C 29.34 . 1 808 79 ILE HG12 H 1.42 . 2 809 79 ILE HG13 H 1.46 . 2 810 79 ILE HD1 H 0.69 . 1 811 79 ILE CD1 C 14.74 . 1 812 79 ILE C C 174.18 . 1 813 80 ASP N N 126.47 . 1 814 80 ASP H H 9.23 . 1 815 80 ASP CA C 54.34 . 1 816 80 ASP HA H 5.76 . 1 817 80 ASP CB C 45.24 . 1 818 80 ASP HB2 H 2.58 . 1 819 80 ASP HB3 H 2.78 . 1 820 80 ASP C C 174.28 . 1 821 81 VAL N N 126.07 . 1 822 81 VAL H H 9.58 . 1 823 81 VAL CA C 61.44 . 1 824 81 VAL HA H 5.23 . 1 825 81 VAL CB C 34.44 . 1 826 81 VAL HB H 2.36 . 1 827 81 VAL HG1 H 0.98 . 1 828 81 VAL HG2 H 1.14 . 1 829 81 VAL CG1 C 20.94 . 1 830 81 VAL CG2 C 21.14 . 1 831 81 VAL C C 175.68 . 1 832 82 SER N N 120.57 . 1 833 82 SER H H 9.05 . 1 834 82 SER CA C 56.54 . 1 835 82 SER HA H 5.49 . 1 836 82 SER CB C 66.34 . 1 837 82 SER HB2 H 3.94 . 1 838 82 SER HB3 H 3.94 . 1 839 82 SER C C 173.88 . 1 840 83 LEU N N 122.67 . 1 841 83 LEU H H 8.07 . 1 842 83 LEU CA C 57.04 . 1 843 83 LEU HA H 4.05 . 1 844 83 LEU CB C 44.44 . 1 845 83 LEU HB2 H 2.04 . 2 846 83 LEU HB3 H 1.68 . 2 847 83 LEU CG C 25.54 . 1 848 83 LEU HG H 1.41 . 1 849 83 LEU HD1 H 0.80 . 2 850 83 LEU HD2 H 0.92 . 2 851 84 LEU H H 8.83 . 1 852 84 LEU CA C 57.04 . 1 853 84 LEU HA H 4.68 . 1 854 84 LEU CB C 43.94 . 1 855 84 LEU HB2 H 1.32 . 1 856 84 LEU HB3 H 1.32 . 1 857 84 LEU CG C 28.04 . 1 858 84 LEU HG H 0.97 . 1 859 84 LEU HD1 H 0.12 . 2 860 84 LEU HD2 H 0.13 . 2 861 84 LEU CD1 C 24.44 . 1 862 84 LEU CD2 C 23.74 . 1 863 84 LEU C C 176.78 . 1 864 85 TYR N N 110.97 . 1 865 85 TYR H H 7.53 . 1 866 85 TYR CA C 57.04 . 1 867 85 TYR HA H 5.02 . 1 868 85 TYR CB C 39.24 . 1 869 85 TYR HB2 H 3.26 . 2 870 85 TYR HB3 H 3.51 . 2 871 85 TYR HD1 H 7.05 . 1 872 85 TYR HD2 H 7.05 . 1 873 85 TYR HE1 H 6.77 . 1 874 85 TYR HE2 H 6.77 . 1 875 85 TYR CD1 C 134.64 . 1 876 85 TYR CE1 C 117.94 . 1 877 85 TYR C C 173.48 . 1 878 86 GLY N N 106.17 . 1 879 86 GLY H H 8.92 . 1 880 86 GLY CA C 45.34 . 1 881 86 GLY HA2 H 5.01 . 1 882 86 GLY HA3 H 4.58 . 1 883 87 PRO CD C 49.64 . 1 884 87 PRO CA C 64.04 . 1 885 87 PRO HA H 4.86 . 1 886 87 PRO CB C 29.64 . 1 887 87 PRO HB2 H 2.14 . 1 888 87 PRO HB3 H 2.14 . 1 889 87 PRO CG C 26.94 . 1 890 87 PRO HG2 H 1.95 . 2 891 87 PRO HG3 H 1.24 . 2 892 87 PRO HD2 H 3.37 . 2 893 87 PRO HD3 H 3.72 . 2 894 87 PRO C C 175.68 . 1 895 88 PHE N N 117.37 . 1 896 88 PHE H H 7.93 . 1 897 88 PHE CA C 57.14 . 1 898 88 PHE HA H 4.84 . 1 899 88 PHE CB C 42.44 . 1 900 88 PHE HB2 H 3.09 . 1 901 88 PHE HB3 H 3.09 . 1 902 88 PHE HD1 H 6.61 . 1 903 88 PHE HD2 H 6.61 . 1 904 88 PHE HE1 H 6.18 . 1 905 88 PHE HE2 H 6.18 . 1 906 88 PHE CD1 C 130.84 . 1 907 88 PHE CE1 C 131.04 . 1 908 88 PHE C C 174.38 . 1 909 89 LYS N N 119.47 . 1 910 89 LYS H H 8.85 . 1 911 89 LYS CA C 57.94 . 1 912 89 LYS HA H 4.31 . 1 913 89 LYS CB C 34.04 . 1 914 89 LYS HB2 H 1.54 . 2 915 89 LYS HB3 H 1.85 . 2 916 89 LYS CG C 25.84 . 1 917 89 LYS HG2 H 1.42 . 2 918 89 LYS HG3 H 1.32 . 2 919 89 LYS CD C 29.64 . 1 920 89 LYS HD2 H 1.70 . 1 921 89 LYS HD3 H 1.70 . 1 922 89 LYS HE2 H 3.01 . 1 923 89 LYS HE3 H 3.01 . 1 924 89 LYS C C 176.58 . 1 925 90 ARG N N 114.17 . 1 926 90 ARG H H 7.67 . 1 927 90 ARG CA C 55.14 . 1 928 90 ARG HA H 4.43 . 1 929 90 ARG CB C 34.44 . 1 930 90 ARG HB2 H 1.67 . 1 931 90 ARG HB3 H 1.67 . 1 932 90 ARG CG C 26.54 . 1 933 90 ARG HG2 H 1.60 . 2 934 90 ARG HG3 H 1.45 . 2 935 90 ARG CD C 42.94 . 1 936 90 ARG HD2 H 3.15 . 1 937 90 ARG HD3 H 3.15 . 1 938 90 ARG C C 174.38 . 1 939 91 LEU N N 124.37 . 1 940 91 LEU H H 8.85 . 1 941 91 LEU CA C 56.74 . 1 942 91 LEU HA H 4.67 . 1 943 91 LEU CB C 43.94 . 1 944 91 LEU HB2 H 1.32 . 2 945 91 LEU CG C 28.04 . 1 946 91 LEU HG H 0.95 . 1 947 91 LEU HD1 H 0.13 . 2 948 91 LEU HD2 H 0.14 . 2 949 91 LEU CD1 C 23.44 . 1 950 91 LEU CD2 C 23.74 . 1 951 91 LEU C C 172.38 . 1 952 92 ASN N N 122.17 . 1 953 92 ASN H H 9.02 . 1 954 92 ASN CA C 52.84 . 1 955 92 ASN HA H 5.64 . 1 956 92 ASN CB C 42.54 . 1 957 92 ASN HB2 H 2.52 . 2 958 92 ASN HB3 H 2.73 . 2 959 92 ASN ND2 N 113.30 . 1 960 92 ASN HD21 H 7.06 . 2 961 92 ASN HD22 H 7.83 . 2 962 92 ASN C C 173.88 . 1 963 93 ASN N N 122.77 . 1 964 93 ASN H H 9.20 . 1 965 93 ASN CA C 51.04 . 1 966 93 ASN HA H 5.55 . 1 967 93 ASN CB C 43.94 . 1 968 93 ASN HB2 H 2.56 . 2 969 93 ASN HB3 H 2.53 . 2 970 93 ASN C C 171.68 . 1 971 94 GLY N N 113.87 . 1 972 94 GLY H H 8.80 . 1 973 94 GLY CA C 45.24 . 1 974 94 GLY HA2 H 5.48 . 2 975 94 GLY HA3 H 3.65 . 2 976 94 GLY C C 171.28 . 1 977 95 TRP N N 120.17 . 1 978 95 TRP H H 9.30 . 1 979 95 TRP CA C 55.54 . 1 980 95 TRP HA H 5.59 . 1 981 95 TRP CB C 33.24 . 1 982 95 TRP HB2 H 2.90 . 1 983 95 TRP HB3 H 2.90 . 1 984 95 TRP CD1 C 126.04 . 1 985 95 TRP CE3 C 120.04 . 1 986 95 TRP NE1 N 130.90 . 1 987 95 TRP HD1 H 6.80 . 1 988 95 TRP HE3 H 7.23 . 1 989 95 TRP CZ3 C 119.54 . 1 990 95 TRP CZ2 C 114.14 . 1 991 95 TRP HE1 H 10.35 . 1 992 95 TRP HZ3 H 6.72 . 1 993 95 TRP CH2 C 123.84 . 1 994 95 TRP HZ2 H 7.21 . 1 995 95 TRP HH2 H 6.68 . 1 996 95 TRP C C 177.18 . 1 997 96 ARG N N 121.17 . 1 998 96 ARG H H 8.70 . 1 999 96 ARG CA C 55.54 . 1 1000 96 ARG HA H 5.05 . 1 1001 96 ARG CB C 34.14 . 1 1002 96 ARG HB2 H 1.68 . 2 1003 96 ARG HB3 H 1.93 . 2 1004 96 ARG CG C 28.04 . 1 1005 96 ARG HG2 H 1.76 . 2 1006 96 ARG HG3 H 1.65 . 2 1007 96 ARG CD C 43.44 . 1 1008 96 ARG HD2 H 3.24 . 2 1009 96 ARG HD3 H 3.29 . 2 1010 96 ARG C C 174.08 . 1 1011 97 PHE N N 119.57 . 1 1012 97 PHE H H 8.02 . 1 1013 97 PHE CA C 56.54 . 1 1014 97 PHE HA H 4.99 . 1 1015 97 PHE CB C 40.24 . 1 1016 97 PHE HB2 H 2.94 . 2 1017 97 PHE HB3 H 3.18 . 2 1018 97 PHE HD1 H 7.49 . 1 1019 97 PHE HD2 H 7.49 . 1 1020 97 PHE HE1 H 7.01 . 1 1021 97 PHE HE2 H 7.01 . 1 1022 97 PHE CD1 C 133.04 . 1 1023 97 PHE CE1 C 130.34 . 1 1024 97 PHE C C 174.08 . 1 1025 98 MET N N 122.27 . 1 1026 98 MET H H 8.82 . 1 1027 98 MET CA C 52.44 . 1 1028 98 MET HA H 5.18 . 1 1029 98 MET CB C 33.54 . 1 1030 98 MET HB2 H 2.18 . 2 1031 98 MET HB3 H 2.15 . 2 1032 98 MET CG C 32.24 . 1 1033 98 MET HG2 H 2.58 . 1 1034 98 MET HG3 H 2.58 . 1 1035 99 PRO CD C 51.24 . 1 1036 99 PRO CA C 64.54 . 1 1037 99 PRO HA H 3.92 . 1 1038 99 PRO CB C 31.64 . 1 1039 99 PRO HB2 H 0.85 . 1 1040 99 PRO HB3 H 1.83 . 1 1041 99 PRO CG C 26.34 . 1 1042 99 PRO HG2 H 1.42 . 1 1043 99 PRO HG3 H 1.42 . 1 1044 99 PRO HD2 H 2.72 . 1 1045 99 PRO HD3 H 2.72 . 1 1046 99 PRO C C 176.58 . 1 1047 100 GLU N N 125.47 . 1 1048 100 GLU H H 8.11 . 1 1049 100 GLU CA C 55.54 . 1 1050 100 GLU HA H 4.46 . 1 1051 100 GLU CB C 30.54 . 1 1052 100 GLU HB2 H 1.82 . 1 1053 100 GLU HB3 H 1.82 . 1 1054 100 GLU CG C 36.34 . 1 1055 100 GLU HG2 H 2.02 . 1 1056 100 GLU HG3 H 2.02 . 1 1057 100 GLU C C 175.78 . 1 1058 101 GLY N N 116.87 . 1 1059 101 GLY H H 8.99 . 1 1060 101 GLY CA C 47.14 . 1 1061 101 GLY HA2 H 3.99 . 1 1062 101 GLY HA3 H 3.65 . 1 1063 101 GLY C C 175.08 . 1 1064 102 ASP N N 128.07 . 1 1065 102 ASP H H 8.89 . 1 1066 102 ASP CA C 54.54 . 1 1067 102 ASP HA H 4.71 . 1 1068 102 ASP CB C 40.74 . 1 1069 102 ASP HB2 H 2.75 . 1 1070 102 ASP HB3 H 2.57 . 1 1071 102 ASP C C 174.18 . 1 1072 103 ALA N N 123.77 . 1 1073 103 ALA H H 7.93 . 1 1074 103 ALA CA C 50.84 . 1 1075 103 ALA HA H 4.78 . 1 1076 103 ALA HB H 1.47 . 1 1077 103 ALA CB C 21.34 . 1 1078 103 ALA C C 177.08 . 1 1079 104 THR N N 115.77 . 1 1080 104 THR H H 8.62 . 1 1081 104 THR CA C 62.94 . 1 1082 104 THR HA H 4.95 . 1 1083 104 THR CB C 71.34 . 1 1084 104 THR HB H 3.78 . 1 1085 104 THR HG2 H 1.26 . 1 1086 104 THR CG2 C 23.24 . 1 1087 104 THR C C 172.98 . 1 1088 105 ARG N N 127.07 . 1 1089 105 ARG H H 9.78 . 1 1090 105 ARG HA H 4.66 . 1 1091 105 ARG CB C 31.34 . 1 1092 105 ARG HB2 H 1.74 . 2 1093 105 ARG HB3 H 1.89 . 2 1094 105 ARG CG C 29.04 . 1 1095 105 ARG HG2 H 1.73 . 1 1096 105 ARG HG3 H 1.73 . 1 1097 105 ARG CD C 42.44 . 1 1098 105 ARG HD2 H 3.03 . 1 1099 105 ARG HD3 H 3.03 . 1 1100 105 ARG C C 173.88 . 1 1101 106 VAL N N 129.17 . 1 1102 106 VAL H H 9.44 . 1 1103 106 VAL CA C 61.64 . 1 1104 106 VAL HA H 4.58 . 1 1105 106 VAL CB C 33.24 . 1 1106 106 VAL HB H 2.33 . 1 1107 106 VAL HG1 H 1.12 . 1 1108 106 VAL HG2 H 1.28 . 1 1109 106 VAL CG1 C 21.44 . 1 1110 106 VAL CG2 C 23.44 . 1 1111 106 VAL C C 174.68 . 1 1112 107 GLU N N 124.87 . 1 1113 107 GLU H H 8.62 . 1 1114 107 GLU CA C 55.14 . 1 1115 107 GLU HA H 4.93 . 1 1116 107 GLU CB C 32.74 . 1 1117 107 GLU HB2 H 2.01 . 1 1118 107 GLU HB3 H 1.74 . 1 1119 107 GLU CG C 28.44 . 1 1120 107 GLU HG2 H 1.53 . 2 1121 107 GLU C C 173.88 . 1 1122 108 PHE N N 127.57 . 1 1123 108 PHE H H 9.03 . 1 1124 108 PHE CA C 55.34 . 1 1125 108 PHE HA H 4.81 . 1 1126 108 PHE CB C 41.54 . 1 1127 108 PHE HB2 H 2.81 . 2 1128 108 PHE HB3 H 2.01 . 2 1129 108 PHE HD1 H 6.82 . 1 1130 108 PHE HD2 H 6.82 . 1 1131 108 PHE CD1 C 130.04 . 1 1132 108 PHE C C 172.78 . 1 1133 109 VAL N N 125.97 . 1 1134 109 VAL H H 8.57 . 1 1135 109 VAL CA C 60.34 . 1 1136 109 VAL HA H 4.71 . 1 1137 109 VAL CB C 34.94 . 1 1138 109 VAL HB H 1.76 . 1 1139 109 VAL HG1 H 0.79 . 2 1140 109 VAL CG1 C 20.94 . 1 1141 109 VAL C C 174.78 . 1 1142 110 ILE N N 124.87 . 1 1143 110 ILE H H 8.94 . 1 1144 110 ILE CA C 59.14 . 1 1145 110 ILE HA H 4.97 . 1 1146 110 ILE CB C 42.14 . 1 1147 110 ILE HB H 1.44 . 1 1148 110 ILE HG2 H 1.04 . 1 1149 110 ILE CG2 C 17.54 . 1 1150 110 ILE CG1 C 29.44 . 1 1151 110 ILE HG12 H 1.02 . 2 1152 110 ILE HG13 H 1.42 . 2 1153 110 ILE HD1 H 0.69 . 1 1154 110 ILE CD1 C 14.74 . 1 1155 110 ILE C C 171.68 . 1 1156 111 GLU N N 124.97 . 1 1157 111 GLU H H 8.72 . 1 1158 111 GLU CA C 54.54 . 1 1159 111 GLU HA H 5.64 . 1 1160 111 GLU CB C 33.74 . 1 1161 111 GLU HB2 H 1.90 . 1 1162 111 GLU HB3 H 1.90 . 1 1163 111 GLU CG C 37.34 . 1 1164 111 GLU HG2 H 2.13 . 2 1165 111 GLU HG3 H 1.99 . 2 1166 111 GLU C C 175.28 . 1 1167 112 PHE N N 117.37 . 1 1168 112 PHE H H 8.82 . 1 1169 112 PHE CA C 56.14 . 1 1170 112 PHE HA H 5.17 . 1 1171 112 PHE CB C 42.54 . 1 1172 112 PHE HB2 H 2.88 . 2 1173 112 PHE HB3 H 2.83 . 2 1174 112 PHE HD1 H 6.91 . 1 1175 112 PHE HD2 H 6.91 . 1 1176 112 PHE HE1 H 7.07 . 1 1177 112 PHE HE2 H 7.07 . 1 1178 112 PHE CD1 C 132.14 . 1 1179 112 PHE CE1 C 130.94 . 1 1180 112 PHE C C 172.58 . 1 1181 113 ALA N N 118.97 . 1 1182 113 ALA H H 8.44 . 1 1183 113 ALA CA C 52.44 . 1 1184 113 ALA HA H 5.04 . 1 1185 113 ALA HB H 1.46 . 1 1186 113 ALA CB C 22.94 . 1 1187 113 ALA C C 178.08 . 1 1188 114 PHE N N 125.97 . 1 1189 114 PHE H H 10.69 . 1 1190 114 PHE CA C 59.14 . 1 1191 114 PHE HA H 4.76 . 1 1192 114 PHE CB C 40.24 . 1 1193 114 PHE HB2 H 3.11 . 2 1194 114 PHE HB3 H 3.47 . 2 1195 114 PHE HD1 H 7.39 . 1 1196 114 PHE HD2 H 7.39 . 1 1197 114 PHE HE1 H 6.84 . 1 1198 114 PHE HE2 H 6.84 . 1 1199 114 PHE CD1 C 131.84 . 1 1200 114 PHE CE1 C 131.14 . 1 1201 114 PHE C C 175.48 . 1 1202 115 LYS N N 117.87 . 1 1203 115 LYS H H 7.88 . 1 1204 115 LYS CA C 59.94 . 1 1205 115 LYS HA H 4.02 . 1 1206 115 LYS CB C 32.54 . 1 1207 115 LYS HB2 H 1.67 . 1 1208 115 LYS HB3 H 1.90 . 1 1209 115 LYS CG C 26.94 . 1 1210 115 LYS HG2 H 1.16 . 1 1211 115 LYS HG3 H 1.32 . 1 1212 115 LYS CD C 29.74 . 1 1213 115 LYS HD2 H 1.62 . 2 1214 115 LYS HD3 H 1.73 . 2 1215 115 LYS HE2 H 3.11 . 2 1216 115 LYS C C 176.78 . 1 1217 116 SER N N 111.47 . 1 1218 116 SER H H 8.20 . 1 1219 116 SER CA C 56.34 . 1 1220 116 SER HA H 4.76 . 1 1221 116 SER CB C 64.04 . 1 1222 116 SER HB2 H 3.79 . 2 1223 116 SER HB3 H 4.03 . 2 1224 117 ALA H H 7.87 . 1 1225 117 ALA CA C 54.74 . 1 1226 117 ALA HA H 4.32 . 1 1227 117 ALA HB H 1.51 . 1 1228 117 ALA CB C 18.54 . 1 1229 117 ALA C C 179.98 . 1 1230 118 LEU N N 118.47 . 1 1231 118 LEU H H 7.84 . 1 1232 118 LEU CA C 57.84 . 1 1233 118 LEU HA H 4.07 . 1 1234 118 LEU CB C 41.94 . 1 1235 118 LEU HB2 H 1.60 . 2 1236 118 LEU HB3 H 1.47 . 2 1237 118 LEU CG C 26.94 . 1 1238 118 LEU HG H 1.58 . 1 1239 118 LEU HD1 H 0.85 . 2 1240 118 LEU HD2 H 0.82 . 2 1241 118 LEU CD1 C 24.44 . 1 1242 118 LEU CD2 C 23.84 . 1 1243 118 LEU C C 179.18 . 1 1244 119 LEU N N 117.97 . 1 1245 119 LEU H H 7.38 . 1 1246 119 LEU CA C 56.44 . 1 1247 119 LEU HA H 3.82 . 1 1248 119 LEU CB C 41.04 . 1 1249 119 LEU HB2 H 1.24 . 1 1250 119 LEU HB3 H 0.45 . 1 1251 119 LEU CG C 27.04 . 1 1252 119 LEU HG H 1.33 . 1 1253 119 LEU HD1 H 0.54 . 1 1254 119 LEU HD2 H 0.71 . 1 1255 119 LEU CD1 C 24.24 . 1 1256 119 LEU CD2 C 25.24 . 1 1257 119 LEU C C 178.08 . 1 1258 120 ASP N N 117.87 . 1 1259 120 ASP H H 7.82 . 1 1260 120 ASP CA C 58.84 . 1 1261 120 ASP HA H 4.47 . 1 1262 120 ASP CB C 42.54 . 1 1263 120 ASP HB2 H 2.97 . 1 1264 120 ASP HB3 H 2.83 . 1 1265 120 ASP C C 177.68 . 1 1266 121 ALA N N 117.97 . 1 1267 121 ALA H H 7.76 . 1 1268 121 ALA CA C 54.74 . 1 1269 121 ALA HA H 4.11 . 1 1270 121 ALA HB H 1.47 . 1 1271 121 ALA CB C 18.04 . 1 1272 121 ALA C C 180.28 . 1 1273 122 MET N N 116.87 . 1 1274 122 MET H H 7.64 . 1 1275 122 MET CA C 58.34 . 1 1276 122 MET HA H 4.01 . 1 1277 122 MET CB C 32.74 . 1 1278 122 MET HB2 H 1.81 . 2 1279 122 MET HB3 H 1.97 . 2 1280 122 MET CG C 31.14 . 1 1281 122 MET HG2 H 2.41 . 2 1282 122 MET HG3 H 2.11 . 2 1283 122 MET C C 178.38 . 1 1284 123 LEU N N 117.37 . 1 1285 123 LEU H H 8.19 . 1 1286 123 LEU CA C 56.84 . 1 1287 123 LEU HA H 4.05 . 1 1288 123 LEU CB C 41.04 . 1 1289 123 LEU HB2 H 1.31 . 2 1290 123 LEU HB3 H 1.41 . 2 1291 123 LEU CG C 27.04 . 1 1292 123 LEU HG H 1.31 . 1 1293 123 LEU HD1 H 0.25 . 1 1294 123 LEU HD2 H 0.54 . 1 1295 123 LEU CD1 C 23.54 . 1 1296 123 LEU CD2 C 24.14 . 1 1297 123 LEU C C 178.38 . 1 1298 124 ALA N N 120.07 . 1 1299 124 ALA H H 8.42 . 1 1300 124 ALA CA C 56.04 . 1 1301 124 ALA HA H 3.99 . 1 1302 124 ALA HB H 1.27 . 1 1303 124 ALA CB C 17.64 . 1 1304 124 ALA C C 179.38 . 1 1305 125 ALA N N 115.87 . 1 1306 125 ALA H H 7.66 . 1 1307 125 ALA CA C 53.84 . 1 1308 125 ALA HA H 4.28 . 1 1309 125 ALA HB H 1.43 . 1 1310 125 ALA CB C 19.04 . 1 1311 125 ALA C C 178.18 . 1 1312 126 ASN N N 113.07 . 1 1313 126 ASN H H 7.59 . 1 1314 126 ASN CA C 53.74 . 1 1315 126 ASN HA H 5.06 . 1 1316 126 ASN CB C 41.54 . 1 1317 126 ASN HB2 H 2.45 . 1 1318 126 ASN HB3 H 2.84 . 1 1319 126 ASN ND2 N 114.40 . 1 1320 126 ASN HD21 H 7.15 . 2 1321 126 ASN HD22 H 7.60 . 2 1322 126 ASN C C 175.88 . 1 1323 127 VAL N N 120.67 . 1 1324 127 VAL H H 7.73 . 1 1325 127 VAL CA C 66.74 . 1 1326 127 VAL HA H 3.54 . 1 1327 127 VAL CB C 30.74 . 1 1328 127 VAL HB H 2.11 . 1 1329 127 VAL HG1 H 0.86 . 1 1330 127 VAL HG2 H 0.71 . 1 1331 127 VAL CG1 C 22.24 . 1 1332 127 VAL CG2 C 19.44 . 1 1333 127 VAL C C 174.78 . 1 1334 128 ASP N N 120.07 . 1 1335 128 ASP H H 8.25 . 1 1336 128 ASP CA C 57.84 . 1 1337 128 ASP HA H 4.00 . 1 1338 128 ASP CB C 40.54 . 1 1339 128 ASP HB2 H 2.59 . 1 1340 128 ASP HB3 H 2.59 . 1 1341 128 ASP C C 178.98 . 1 1342 129 ARG N N 120.07 . 1 1343 129 ARG H H 8.04 . 1 1344 129 ARG CA C 58.54 . 1 1345 129 ARG HA H 4.07 . 1 1346 129 ARG CB C 30.24 . 1 1347 129 ARG HB2 H 1.89 . 1 1348 129 ARG HB3 H 1.82 . 1 1349 129 ARG CG C 27.44 . 1 1350 129 ARG HG2 H 1.72 . 2 1351 129 ARG HG3 H 1.60 . 2 1352 129 ARG CD C 43.34 . 1 1353 129 ARG HD2 H 3.25 . 1 1354 129 ARG HD3 H 3.25 . 1 1355 129 ARG C C 179.08 . 1 1356 130 ALA N N 121.17 . 1 1357 130 ALA H H 8.42 . 1 1358 130 ALA CA C 55.04 . 1 1359 130 ALA HA H 3.87 . 1 1360 130 ALA HB H 1.18 . 1 1361 130 ALA CB C 18.34 . 1 1362 130 ALA C C 178.58 . 1 1363 131 ALA N N 118.47 . 1 1364 131 ALA H H 8.68 . 1 1365 131 ALA CA C 55.14 . 1 1366 131 ALA HA H 3.70 . 1 1367 131 ALA HB H 1.18 . 1 1368 131 ALA CB C 18.24 . 1 1369 131 ALA C C 179.38 . 1 1370 132 GLY N N 102.47 . 1 1371 132 GLY H H 7.94 . 1 1372 132 GLY CA C 47.14 . 1 1373 132 GLY HA2 H 3.70 . 1 1374 132 GLY HA3 H 4.01 . 1 1375 132 GLY C C 177.18 . 1 1376 133 LYS N N 121.67 . 1 1377 133 LYS H H 8.02 . 1 1378 133 LYS CA C 58.84 . 1 1379 133 LYS HA H 4.23 . 1 1380 133 LYS CB C 32.14 . 1 1381 133 LYS HB2 H 1.96 . 1 1382 133 LYS HB3 H 1.92 . 1 1383 133 LYS CG C 25.54 . 1 1384 133 LYS HG2 H 1.61 . 1 1385 133 LYS HG3 H 1.50 . 1 1386 133 LYS CD C 29.14 . 1 1387 133 LYS HD2 H 1.74 . 2 1388 133 LYS HD3 H 1.70 . 2 1389 133 LYS HE2 H 3.02 . 2 1390 133 LYS C C 179.38 . 1 1391 134 LEU N N 120.97 . 1 1392 134 LEU H H 8.17 . 1 1393 134 LEU CA C 58.74 . 1 1394 134 LEU HA H 4.32 . 1 1395 134 LEU CB C 41.94 . 1 1396 134 LEU HB2 H 2.14 . 1 1397 134 LEU HB3 H 1.50 . 1 1398 134 LEU CG C 29.14 . 1 1399 134 LEU HG H 1.75 . 1 1400 134 LEU HD1 H 1.42 . 2 1401 134 LEU HD2 H 1.20 . 2 1402 134 LEU CD1 C 24.44 . 1 1403 134 LEU CD2 C 26.44 . 1 1404 134 LEU C C 178.58 . 1 1405 135 ILE N N 117.97 . 1 1406 135 ILE H H 8.59 . 1 1407 135 ILE CA C 66.34 . 1 1408 135 ILE HA H 3.93 . 1 1409 135 ILE CB C 37.64 . 1 1410 135 ILE HB H 1.97 . 1 1411 135 ILE HG2 H 1.07 . 1 1412 135 ILE CG2 C 17.74 . 1 1413 135 ILE CG1 C 30.64 . 1 1414 135 ILE HG12 H 1.76 . 2 1415 135 ILE HG13 H 1.05 . 2 1416 135 ILE HD1 H 0.47 . 1 1417 135 ILE CD1 C 12.44 . 1 1418 135 ILE C C 177.88 . 1 1419 136 ALA N N 120.57 . 1 1420 136 ALA H H 8.24 . 1 1421 136 ALA CA C 55.14 . 1 1422 136 ALA HA H 4.50 . 1 1423 136 ALA HB H 1.68 . 1 1424 136 ALA CB C 18.14 . 1 1425 136 ALA C C 180.68 . 1 1426 137 CYS N N 119.17 . 1 1427 137 CYS H H 8.03 . 1 1428 137 CYS CA C 63.04 . 1 1429 137 CYS HA H 4.41 . 1 1430 137 CYS CB C 26.44 . 1 1431 137 CYS HB2 H 3.15 . 1 1432 137 CYS HB3 H 3.38 . 1 1433 137 CYS C C 177.68 . 1 1434 138 PHE N N 118.47 . 1 1435 138 PHE H H 7.86 . 1 1436 138 PHE CA C 61.74 . 1 1437 138 PHE HA H 4.24 . 1 1438 138 PHE CB C 37.74 . 1 1439 138 PHE HB2 H 2.81 . 1 1440 138 PHE HB3 H 3.28 . 1 1441 138 PHE HD1 H 7.18 . 1 1442 138 PHE HD2 H 7.18 . 1 1443 138 PHE HE1 H 6.85 . 1 1444 138 PHE HE2 H 6.85 . 1 1445 138 PHE CD1 C 130.84 . 1 1446 138 PHE C C 177.58 . 1 1447 139 GLU N N 119.57 . 1 1448 139 GLU H H 8.82 . 1 1449 139 GLU CA C 60.74 . 1 1450 139 GLU HA H 3.68 . 1 1451 139 GLU CB C 29.84 . 1 1452 139 GLU HB2 H 2.20 . 1 1453 139 GLU HB3 H 2.36 . 1 1454 139 GLU CG C 37.54 . 1 1455 139 GLU HG2 H 2.47 . 2 1456 139 GLU HG3 H 2.39 . 2 1457 139 GLU C C 177.78 . 1 1458 140 ALA N N 120.07 . 1 1459 140 ALA H H 8.08 . 1 1460 140 ALA CA C 54.94 . 1 1461 140 ALA HA H 4.16 . 1 1462 140 ALA HB H 1.55 . 1 1463 140 ALA CB C 17.74 . 1 1464 140 ALA C C 180.48 . 1 1465 141 ARG N N 119.47 . 1 1466 141 ARG H H 7.72 . 1 1467 141 ARG CA C 56.94 . 1 1468 141 ARG HA H 3.81 . 1 1469 141 ARG CB C 30.34 . 1 1470 141 ARG HB2 H 1.66 . 1 1471 141 ARG HB3 H 1.17 . 1 1472 141 ARG CG C 27.34 . 1 1473 141 ARG HG2 H 1.59 . 2 1474 141 ARG C C 177.08 . 1 1475 142 ALA N N 121.67 . 1 1476 142 ALA H H 8.33 . 1 1477 142 ALA CA C 55.54 . 1 1478 142 ALA HA H 3.44 . 1 1479 142 ALA HB H 0.47 . 1 1480 142 ALA CB C 15.24 . 1 1481 142 ALA C C 178.58 . 1 1482 143 GLN N N 117.37 . 1 1483 143 GLN H H 7.95 . 1 1484 143 GLN CA C 58.84 . 1 1485 143 GLN HA H 4.02 . 1 1486 143 GLN CB C 28.14 . 1 1487 143 GLN HB2 H 2.17 . 1 1488 143 GLN HB3 H 2.36 . 1 1489 143 GLN CG C 34.14 . 1 1490 143 GLN HG2 H 2.51 . 2 1491 143 GLN HG3 H 2.44 . 2 1492 143 GLN NE2 N 111.20 . 1 1493 143 GLN HE21 H 6.87 . 2 1494 143 GLN HE22 H 7.59 . 2 1495 143 GLN C C 178.78 . 1 1496 144 GLN N N 117.97 . 1 1497 144 GLN H H 7.63 . 1 1498 144 GLN CA C 58.34 . 1 1499 144 GLN HA H 3.93 . 1 1500 144 GLN CB C 28.44 . 1 1501 144 GLN HB2 H 2.10 . 1 1502 144 GLN HB3 H 2.10 . 1 1503 144 GLN CG C 33.54 . 1 1504 144 GLN HG2 H 2.45 . 2 1505 144 GLN HG3 H 2.22 . 2 1506 144 GLN NE2 N 111.20 . 1 1507 144 GLN HE21 H 6.78 . 2 1508 144 GLN HE22 H 7.45 . 2 1509 144 GLN C C 177.98 . 1 1510 145 LEU N N 115.77 . 1 1511 145 LEU H H 7.88 . 1 1512 145 LEU CA C 56.94 . 1 1513 145 LEU HA H 3.90 . 1 1514 145 LEU CB C 41.94 . 1 1515 145 LEU HB2 H 0.50 . 1 1516 145 LEU HB3 H 1.01 . 1 1517 145 LEU HG H 1.34 . 1 1518 145 LEU C C 178.78 . 1 1519 146 HIS N N 113.67 . 1 1520 146 HIS H H 8.37 . 1 1521 146 HIS CA C 56.14 . 1 1522 146 HIS HA H 5.01 . 1 1523 146 HIS CB C 31.64 . 1 1524 146 HIS HB2 H 3.33 . 2 1525 146 HIS HB3 H 3.01 . 2 1526 146 HIS CD2 C 120.54 . 1 1527 146 HIS HD2 H 6.32 . 1 1528 146 HIS C C 176.58 . 1 1529 147 GLY N N 108.77 . 1 1530 147 GLY H H 8.01 . 1 1531 147 GLY CA C 45.74 . 1 1532 147 GLY HA2 H 4.16 . 1 1533 147 GLY HA3 H 4.16 . 1 1534 147 GLY C C 173.38 . 1 1535 148 ALA N N 122.67 . 1 1536 148 ALA H H 8.32 . 1 1537 148 ALA CA C 52.24 . 1 1538 148 ALA HA H 4.38 . 1 1539 148 ALA HB H 1.38 . 1 1540 148 ALA CB C 19.44 . 1 1541 148 ALA C C 177.88 . 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _PubMed_ID 11259647 _Citation_full ; Nierman WC, Feldblyum TV, Laub MT, Paulsen IT, Nelson KE, Eisen JA, Heidelberg JF, Alley MR, Ohta N, Maddock JR, Potocka I, Nelson WC, Newton A, Stephens C, Phadke ND, Ely B, DeBoy RT, Dodson RJ, Durkin AS, Gwinn ML, Haft DH, Kolonay JF, Smit J, Craven MB, Khouri H, Shetty J, Berry K, Utterback T, Tran K, Wolf A, Vamathevan J, Ermolaeva M, White O, Salzberg SL, Venter JC, Shapiro L, Fraser CM, Eisen J. Related Articles, Links Free in PMC Complete genome sequence of Caulobacter crescentus. Proc Natl Acad Sci U S A. 2001 Mar 27;98(7):4136-41 ; save_